smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)[O-])c2N1 ZINC000642882229 986578126 /nfs/dbraw/zinc/57/81/26/986578126.db2.gz DXUWZTPSALSWBM-INEUFUBQSA-N -1 0 231.202 1.592 50 0 BDAARM Cc1cc(CN(C)c2nccnc2C(=O)[O-])no1 ZINC001506415247 988781890 /nfs/dbraw/zinc/78/18/90/988781890.db2.gz VSKHVDCMWKPQLU-UHFFFAOYSA-N -1 0 248.242 1.108 50 0 BDAARM O=C([O-])c1ccc(Cl)c2[nH]c(=O)oc21 ZINC000033745507 187320868 /nfs/dbraw/zinc/32/08/68/187320868.db2.gz ZILOAJVLGWQPBH-UHFFFAOYSA-N -1 0 213.576 1.885 50 0 BDAARM CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000071372443 398148094 /nfs/dbraw/zinc/14/80/94/398148094.db2.gz MONNSOYJCUCULT-SNVBAGLBSA-N -1 0 243.209 1.617 50 0 BDAARM C/C=C(\C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000221726246 192027038 /nfs/dbraw/zinc/02/70/38/192027038.db2.gz YODJWKVIMALNSF-XVNBXDOJSA-N -1 0 223.228 1.560 50 0 BDAARM O=C(c1cc(F)c([O-])c(F)c1)N1CCCO1 ZINC000097096159 398225069 /nfs/dbraw/zinc/22/50/69/398225069.db2.gz SALXKKRUAOODPB-UHFFFAOYSA-N -1 0 229.182 1.448 50 0 BDAARM O=C([O-])c1nccc(C(F)(F)F)c1F ZINC000263623138 187331514 /nfs/dbraw/zinc/33/15/14/187331514.db2.gz DZKZNWQTTCVVNA-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM Cc1cc([O-])c(SC(=S)N(C)C)c(=O)o1 ZINC000006556530 178196849 /nfs/dbraw/zinc/19/68/49/178196849.db2.gz DFULJTJOIBZIFH-UHFFFAOYSA-N -1 0 245.325 1.592 50 0 BDAARM Cc1cc(O)ccc1Nc1nc(=O)c(C)n[n-]1 ZINC000008997347 178200511 /nfs/dbraw/zinc/20/05/11/178200511.db2.gz SJJHEGFMPMLOCT-UHFFFAOYSA-N -1 0 232.243 1.231 50 0 BDAARM Cc1cc(=O)[nH]c(C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000008764064 178202378 /nfs/dbraw/zinc/20/23/78/178202378.db2.gz LGGCXDXBASLRDT-UWVGGRQHSA-N -1 0 235.331 1.969 50 0 BDAARM C=CCCC(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000095970238 398251804 /nfs/dbraw/zinc/25/18/04/398251804.db2.gz MRPYLOJBLLVKJS-LLVKDONJSA-N -1 0 213.277 1.712 50 0 BDAARM Cc1ccc(-n2[nH]cc(C(=O)[O-])c2=O)cc1 ZINC000071520427 178349932 /nfs/dbraw/zinc/34/99/32/178349932.db2.gz NTTMJIIKWCDBJN-UHFFFAOYSA-N -1 0 218.212 1.585 50 0 BDAARM Cc1ccc(-n2c(N)c(N)c(=O)[n-]c2=S)cc1 ZINC000012462098 178346143 /nfs/dbraw/zinc/34/61/43/178346143.db2.gz RXBNZGVWEBOKDE-UHFFFAOYSA-N -1 0 248.311 1.368 50 0 BDAARM Cc1ccc(-c2csc(=O)n2CC(=O)[O-])cc1 ZINC000009156380 178330182 /nfs/dbraw/zinc/33/01/82/178330182.db2.gz KACFQNORGUIBBJ-UHFFFAOYSA-N -1 0 249.291 1.970 50 0 BDAARM CC(C)N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000150004 342677028 /nfs/dbraw/zinc/67/70/28/342677028.db2.gz XZSFFEYOFGFERR-UHFFFAOYSA-N -1 0 233.223 1.389 50 0 BDAARM CC(C)(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000000397872 342686440 /nfs/dbraw/zinc/68/64/40/342686440.db2.gz MDYLQMLQBRWTPP-RKDXNWHRSA-N -1 0 227.304 1.792 50 0 BDAARM CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000000399556 342686452 /nfs/dbraw/zinc/68/64/52/342686452.db2.gz POLGZPYHEPOBFG-NSHDSACASA-N -1 0 235.283 1.916 50 0 biogenic,in-vitro BDAARM COc1c(F)c(F)cc(C(=O)[O-])c1F ZINC000000403422 342686665 /nfs/dbraw/zinc/68/66/65/342686665.db2.gz YVJHZWWMKFQKDC-UHFFFAOYSA-N -1 0 206.119 1.811 50 0 BDAARM O=S(=O)([N-]c1ncccn1)c1ccccc1 ZINC000000029133 342670048 /nfs/dbraw/zinc/67/00/48/342670048.db2.gz HLBLNLYCFFWMFF-UHFFFAOYSA-N -1 0 235.268 1.277 50 0 BDAARM O=C([O-])c1cncc(Br)c1 ZINC000000039490 342671002 /nfs/dbraw/zinc/67/10/02/342671002.db2.gz FQIUCPGDKPXSLL-UHFFFAOYSA-N -1 0 202.007 1.542 50 0 BDAARM O=C([O-])[C@H]1CC(c2ccccc2F)=NO1 ZINC000000819004 342693340 /nfs/dbraw/zinc/69/33/40/342693340.db2.gz DAYPQGQLFQVFPV-SECBINFHSA-N -1 0 209.176 1.403 50 0 BDAARM C[C@@H](C(=O)[O-])n1ncc2ccccc2c1=O ZINC000000814472 342693373 /nfs/dbraw/zinc/69/33/73/342693373.db2.gz GQXPIMXKYVRYBL-ZETCQYMHSA-N -1 0 218.212 1.042 50 0 BDAARM O=C([O-])c1c(Cl)nc2sccn21 ZINC000001104923 342697519 /nfs/dbraw/zinc/69/75/19/342697519.db2.gz ORWPTZPSXDLGPG-UHFFFAOYSA-N -1 0 202.622 1.747 50 0 BDAARM C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)[O-] ZINC000001529317 342702484 /nfs/dbraw/zinc/70/24/84/342702484.db2.gz AUTOLBMXDDTRRT-SFYZADRCSA-N -1 0 214.265 1.091 50 0 in-vitro BDAARM Cc1ccc(Cl)c(P(=O)([O-])[O-])c1 ZINC000001870281 342713333 /nfs/dbraw/zinc/71/33/33/342713333.db2.gz UATXVBCNRKZPIQ-UHFFFAOYSA-N -1 0 206.565 1.451 50 0 BDAARM CC[C@@H](C)[C@H](NC(=O)NCC(C)C)C(=O)[O-] ZINC000002222748 342717076 /nfs/dbraw/zinc/71/70/76/342717076.db2.gz TYDFZSIYTRNVEN-BDAKNGLRSA-N -1 0 230.308 1.441 50 0 biogenic BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000004105016 342742599 /nfs/dbraw/zinc/74/25/99/342742599.db2.gz QTWGHTBKFVANGX-RNFRBKRXSA-N -1 0 241.193 1.624 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000004383793 342747339 /nfs/dbraw/zinc/74/73/39/342747339.db2.gz MIRPNVFOUKDBEF-SSDOTTSWSA-N -1 0 223.203 1.263 50 0 BDAARM Cc1ccc2[nH]c(COCC(=O)[O-])nc2c1 ZINC000004384338 342747486 /nfs/dbraw/zinc/74/74/86/342747486.db2.gz LUAQWCRZVCGWMT-UHFFFAOYSA-N -1 0 220.228 1.473 50 0 BDAARM O=C([O-])[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000004504973 342748267 /nfs/dbraw/zinc/74/82/67/342748267.db2.gz XBABASIBBODKAE-VIFPVBQESA-N -1 0 225.631 1.918 50 0 BDAARM CSCC[C@H]([NH2+]Cc1ccc(C)o1)C(=O)[O-] ZINC000002509935 342721831 /nfs/dbraw/zinc/72/18/31/342721831.db2.gz IWVXMWGWOPMVLA-JTQLQIEISA-N -1 0 243.328 1.884 50 0 BDAARM Cn1cc(C(=O)[O-])c(-c2ccccc2)n1 ZINC000002548464 342723788 /nfs/dbraw/zinc/72/37/88/342723788.db2.gz YMSOQSQLQLWDQI-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM CCC[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000002556528 342724110 /nfs/dbraw/zinc/72/41/10/342724110.db2.gz PZIVHOLHABBQKU-JTQLQIEISA-N -1 0 221.256 1.670 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002562488 342724271 /nfs/dbraw/zinc/72/42/71/342724271.db2.gz PYNDHEONPQYIAN-LURJTMIESA-N -1 0 203.238 1.374 50 0 BDAARM O=C([O-])c1ccccc1N1C(=O)CCC1=O ZINC000002571366 342724713 /nfs/dbraw/zinc/72/47/13/342724713.db2.gz JJHXNCSOCYGXGQ-UHFFFAOYSA-N -1 0 219.196 1.038 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1Br ZINC000003190899 342731334 /nfs/dbraw/zinc/73/13/34/342731334.db2.gz TZFJADFQEBASQU-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 BDAARM COc1cc(C)c(CC(=O)[O-])cc1OC ZINC000003750811 342737393 /nfs/dbraw/zinc/73/73/93/342737393.db2.gz FGHGIZDPWFKTDL-UHFFFAOYSA-N -1 0 210.229 1.639 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1F ZINC000003881181 342738537 /nfs/dbraw/zinc/73/85/37/342738537.db2.gz XAARCAAYASZMAH-JTQLQIEISA-N -1 0 237.230 1.515 50 0 BDAARM C[C@@H](O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000004818928 342752639 /nfs/dbraw/zinc/75/26/39/342752639.db2.gz FXPAPIOUHHIKAX-HQZHTGGTSA-N -1 0 235.239 1.319 50 0 BDAARM O=S(=O)([O-])c1ccc2[nH]c(=S)[nH]c2c1 ZINC000006473360 342778357 /nfs/dbraw/zinc/77/83/57/342778357.db2.gz LLOAINVMNYBDNR-UHFFFAOYSA-N -1 0 230.270 1.098 50 0 BDAARM Cn1cc(CC(=O)[O-])c2cc(F)ccc21 ZINC000026505015 342789897 /nfs/dbraw/zinc/78/98/97/342789897.db2.gz OTQYMPMYLBKLJU-UHFFFAOYSA-N -1 0 207.204 1.945 50 0 BDAARM COc1cc(C(=O)[O-])cc2c1O[C@@H](C)C2 ZINC000007978524 342795143 /nfs/dbraw/zinc/79/51/43/342795143.db2.gz FNGZHLBOFSICNM-LURJTMIESA-N -1 0 208.213 1.717 50 0 BDAARM CSc1nc(C)c(CC(=O)[O-])s1 ZINC000008390492 342799029 /nfs/dbraw/zinc/79/90/29/342799029.db2.gz GOJQXKIEZOXVJX-UHFFFAOYSA-N -1 0 203.288 1.801 50 0 BDAARM CC(C)[C@H](C(=O)[O-])n1cnc2ccccc2c1=O ZINC000009420356 342815144 /nfs/dbraw/zinc/81/51/44/342815144.db2.gz LZSQSGNCXDYHMC-LLVKDONJSA-N -1 0 246.266 1.678 50 0 BDAARM CC[C@H](Sc1nccn1C)C(=O)[O-] ZINC000010382579 342835898 /nfs/dbraw/zinc/83/58/98/342835898.db2.gz UQPJZFOMRSFFCO-LURJTMIESA-N -1 0 200.263 1.375 50 0 BDAARM Cn1cc(C(=O)[O-])c(-c2cccs2)n1 ZINC000011920531 342844499 /nfs/dbraw/zinc/84/44/99/342844499.db2.gz KPLDVDPCEHHBII-UHFFFAOYSA-N -1 0 208.242 1.847 50 0 BDAARM CC[C@@H](C(=O)[O-])n1cc(N)c(C(F)(F)F)n1 ZINC000012399113 342851344 /nfs/dbraw/zinc/85/13/44/342851344.db2.gz ITISNELBHGXFPF-YFKPBYRVSA-N -1 0 237.181 1.520 50 0 BDAARM O=C([O-])c1c[nH]c2cc(F)cc(F)c2c1=O ZINC000012422106 342852059 /nfs/dbraw/zinc/85/20/59/342852059.db2.gz ZFQCYTCLVOIKAS-UHFFFAOYSA-N -1 0 225.150 1.917 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)c1ccccc1 ZINC000012504821 342852768 /nfs/dbraw/zinc/85/27/68/342852768.db2.gz UKRUGGNUDYQEGF-QMMMGPOBSA-N -1 0 207.229 1.280 50 0 BDAARM O=C([O-])c1cccc(OC[C@@H]2CCCO2)c1 ZINC000012505583 342852964 /nfs/dbraw/zinc/85/29/64/342852964.db2.gz PTDDXWIOXRBSEF-NSHDSACASA-N -1 0 222.240 1.943 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC000011888146 342843951 /nfs/dbraw/zinc/84/39/51/342843951.db2.gz MLFWCOPIRKORMG-UHFFFAOYSA-N -1 0 217.228 1.528 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000011890701 342844143 /nfs/dbraw/zinc/84/41/43/342844143.db2.gz LASIYOUCNADDOF-JTQLQIEISA-N -1 0 237.230 1.515 50 0 BDAARM O=c1[nH]c2ccccc2c([O-])c1SCCO ZINC000013555251 342867588 /nfs/dbraw/zinc/86/75/88/342867588.db2.gz YKAYEPQKBSVVBC-UHFFFAOYSA-N -1 0 237.280 1.318 50 0 BDAARM O=C([O-])c1cn(Cc2ccc(F)cc2)nn1 ZINC000013997987 342875546 /nfs/dbraw/zinc/87/55/46/342875546.db2.gz RMWPNKWXZUADBT-UHFFFAOYSA-N -1 0 221.191 1.164 50 0 BDAARM CC[C@H](O)C[C@@H]1CC[C@@H]([C@@H](C)C(=O)[O-])O1 ZINC000014440841 342880934 /nfs/dbraw/zinc/88/09/34/342880934.db2.gz HTCUURQJNZBKIA-KATARQTJSA-N -1 0 216.277 1.416 50 0 BDAARM COc1c2c(cc(CC(=O)[O-])c1OC)OCO2 ZINC000015107098 342892303 /nfs/dbraw/zinc/89/23/03/342892303.db2.gz ZGEPLEJWRXXWLT-UHFFFAOYSA-N -1 0 240.211 1.060 50 0 BDAARM Cc1ccc(C)c(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC000037588499 178464987 /nfs/dbraw/zinc/46/49/87/178464987.db2.gz BBMGNWLVBSVXEK-UHFFFAOYSA-N -1 0 247.294 1.993 50 0 BDAARM CC[C@H](Oc1ccccc1)C(=O)Nc1ncn[nH]1 ZINC000018194097 342934390 /nfs/dbraw/zinc/93/43/90/342934390.db2.gz SQVZQJUUHCTTGC-JTQLQIEISA-N -1 0 246.270 1.023 50 0 BDAARM CN(C=O)C[P@@](=O)([O-])CCc1ccccc1 ZINC000000066434 344013222 /nfs/dbraw/zinc/01/32/22/344013222.db2.gz DONHWDFKCVCKRP-UHFFFAOYSA-N -1 0 241.227 1.545 50 0 BDAARM COC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000019815839 342958700 /nfs/dbraw/zinc/95/87/00/342958700.db2.gz QGICDLYPUUZBIV-VIFPVBQESA-N -1 0 223.228 1.038 50 0 BDAARM C[C@H](NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000020250200 342978371 /nfs/dbraw/zinc/97/83/71/342978371.db2.gz XYROYDOGHLSWPI-QMMMGPOBSA-N -1 0 213.277 1.546 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000020284525 342980453 /nfs/dbraw/zinc/98/04/53/342980453.db2.gz JRQWUONIXFUCPM-SNVBAGLBSA-N -1 0 234.255 1.161 50 0 BDAARM O=C([O-])c1ccc(=O)n(-c2ccccc2)c1 ZINC000021981319 343031704 /nfs/dbraw/zinc/03/17/04/343031704.db2.gz PETUTZMMIOWORO-UHFFFAOYSA-N -1 0 215.208 1.536 50 0 in-vitro BDAARM O=S1(=O)[N-]c2ccccc2N1C1CCC1 ZINC000584880102 343080199 /nfs/dbraw/zinc/08/01/99/343080199.db2.gz VCSOYRIXZOJWIK-UHFFFAOYSA-N -1 0 224.285 1.716 50 0 BDAARM CSc1nn2c([n-]1)nc(C(C)C)cc2=O ZINC000010338640 362025063 /nfs/dbraw/zinc/02/50/63/362025063.db2.gz PETFFKWZIFESQH-UHFFFAOYSA-N -1 0 224.289 1.675 50 0 BDAARM O=C([O-])c1ccn(-c2ccc(F)cc2F)n1 ZINC000026514976 343106681 /nfs/dbraw/zinc/10/66/81/343106681.db2.gz LEWKRIWZTYUQFH-UHFFFAOYSA-N -1 0 224.166 1.849 50 0 BDAARM Cc1ccc(C)c([C@H]2OC(=O)[N-]C2=O)c1 ZINC000039392974 343125291 /nfs/dbraw/zinc/12/52/91/343125291.db2.gz UJBTWDXPWHSHCC-SECBINFHSA-N -1 0 205.213 1.611 50 0 BDAARM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000003073972 187246469 /nfs/dbraw/zinc/24/64/69/187246469.db2.gz CNBQGXOEOOVTPA-LLVKDONJSA-N -1 0 219.240 1.044 50 0 BDAARM Nc1ccc2[nH]c(CCC(=O)[O-])nc2c1 ZINC000005448562 187248102 /nfs/dbraw/zinc/24/81/02/187248102.db2.gz XBFRVNBBCXFFBI-UHFFFAOYSA-N -1 0 205.217 1.162 50 0 BDAARM C[C@H](CCC(=O)Nc1ccccn1)C(=O)[O-] ZINC000000802040 187244772 /nfs/dbraw/zinc/24/47/72/187244772.db2.gz OFZQVPDETVJLPQ-MRVPVSSYSA-N -1 0 222.244 1.521 50 0 BDAARM CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000002392266 187245022 /nfs/dbraw/zinc/24/50/22/187245022.db2.gz GKRRTFCDSZGFSZ-MRVPVSSYSA-N -1 0 229.276 1.764 50 0 BDAARM CCn1ncc(Br)c1C(=O)[O-] ZINC000002389250 187245430 /nfs/dbraw/zinc/24/54/30/187245430.db2.gz QBZXHFRMFOYDSR-UHFFFAOYSA-N -1 0 219.038 1.364 50 0 BDAARM O=C([O-])[C@H](Cc1ccccc1)Nc1ncccn1 ZINC000031775774 343224131 /nfs/dbraw/zinc/22/41/31/343224131.db2.gz IVJZYRZYVLZTQK-NSHDSACASA-N -1 0 243.266 1.584 50 0 biogenic BDAARM O=C([O-])[C@@H]1CCCN1CC(=O)Nc1ccccc1 ZINC000032579444 343237859 /nfs/dbraw/zinc/23/78/59/343237859.db2.gz UAGGXIWZVQOGNW-NSHDSACASA-N -1 0 248.282 1.174 50 0 BDAARM COc1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000008741338 187249998 /nfs/dbraw/zinc/24/99/98/187249998.db2.gz PCKLWFBSFXXYNP-UHFFFAOYSA-N -1 0 218.216 1.329 50 0 BDAARM CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000012382011 187250146 /nfs/dbraw/zinc/25/01/46/187250146.db2.gz IIJAEFRNONKHQP-JTQLQIEISA-N -1 0 236.271 1.917 50 0 BDAARM CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000012504816 187250189 /nfs/dbraw/zinc/25/01/89/187250189.db2.gz MHJFYCQGHIHUSB-JTQLQIEISA-N -1 0 241.674 1.992 50 0 BDAARM CC(C)Cn1c(=O)[nH]c2cc(C(=O)[O-])ccc21 ZINC000019843493 187252659 /nfs/dbraw/zinc/25/26/59/187252659.db2.gz OTZUHCXPXMDWHH-UHFFFAOYSA-N -1 0 234.255 1.684 50 0 BDAARM CCc1c([O-])[nH]c(=O)n1-c1ccccc1 ZINC000000078153 343268834 /nfs/dbraw/zinc/26/88/34/343268834.db2.gz ZZMDVDRXCDOBCA-SECBINFHSA-N -1 0 204.229 1.521 50 0 BDAARM O=C([O-])[C@H]1CCC[C@H](Br)C1=O ZINC000139202144 343278766 /nfs/dbraw/zinc/27/87/66/343278766.db2.gz AUQWJFMEDWJXNT-WHFBIAKZSA-N -1 0 221.050 1.204 50 0 BDAARM CCc1nc(CCC(=O)[O-])n(-c2ccccc2)n1 ZINC000034927225 343280799 /nfs/dbraw/zinc/28/07/99/343280799.db2.gz SWCXTICVPLGHBY-UHFFFAOYSA-N -1 0 245.282 1.847 50 0 BDAARM O=C([O-])c1cnc(-c2ncccn2)s1 ZINC000036814823 343324656 /nfs/dbraw/zinc/32/46/56/343324656.db2.gz LRXDMOYYUDZFCC-UHFFFAOYSA-N -1 0 207.214 1.298 50 0 BDAARM O=C([O-])c1ccnc(Oc2cccnc2)c1 ZINC000036805034 343324855 /nfs/dbraw/zinc/32/48/55/343324855.db2.gz WJUFTJRKJXPASR-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1cccc(F)c1 ZINC000036895354 343326553 /nfs/dbraw/zinc/32/65/53/343326553.db2.gz CTEJTMZZDNJQII-UHFFFAOYSA-N -1 0 235.218 1.667 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cc(F)ccc1C ZINC000036895323 343326694 /nfs/dbraw/zinc/32/66/94/343326694.db2.gz LCTZWZCWEKUEFC-UHFFFAOYSA-N -1 0 235.218 1.721 50 0 BDAARM CC(C)(C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000035347387 343294494 /nfs/dbraw/zinc/29/44/94/343294494.db2.gz RRMLWCYLXRTPCH-UHFFFAOYSA-N -1 0 221.256 1.913 50 0 BDAARM Cc1nn(C(C)C)c2[nH]c(=O)cc(C(=O)[O-])c12 ZINC000035655613 343301307 /nfs/dbraw/zinc/30/13/07/343301307.db2.gz MDWOQBMDDFJUOR-UHFFFAOYSA-N -1 0 235.243 1.312 50 0 BDAARM O=C([O-])c1nnc2c(C(F)(F)F)cccn12 ZINC000038342448 343374310 /nfs/dbraw/zinc/37/43/10/343374310.db2.gz NAACNNGKHMVFKU-UHFFFAOYSA-N -1 0 231.133 1.446 50 0 BDAARM O=C([O-])c1coc(NC(=O)c2ccco2)n1 ZINC000038478249 343375529 /nfs/dbraw/zinc/37/55/29/343375529.db2.gz NFOOWLWMUWTXGB-UHFFFAOYSA-N -1 0 222.156 1.218 50 0 BDAARM O=C([O-])c1ccc(-c2ccccc2F)[nH]c1=O ZINC000038478117 343375549 /nfs/dbraw/zinc/37/55/49/343375549.db2.gz GOPXHISNHAVBFZ-UHFFFAOYSA-N -1 0 233.198 1.879 50 0 BDAARM CSc1ccc(-n2nnc(C(=O)[O-])c2C)cc1 ZINC000036895315 187258670 /nfs/dbraw/zinc/25/86/70/187258670.db2.gz XVGNLMCAHAMCFY-UHFFFAOYSA-N -1 0 249.295 1.996 50 0 BDAARM O=C([O-])c1c[n+]([O-])ccc1C(F)(F)F ZINC000044226869 343496148 /nfs/dbraw/zinc/49/61/48/343496148.db2.gz BTCFYOXMNUMDFC-UHFFFAOYSA-N -1 0 207.107 1.037 50 0 BDAARM O=C([O-])c1ccc(CC2OCCO2)cc1 ZINC000043214131 343465886 /nfs/dbraw/zinc/46/58/86/343465886.db2.gz GEYOEVKPCAOMEN-UHFFFAOYSA-N -1 0 208.213 1.300 50 0 BDAARM O=C([O-])c1ccc(-c2ccncc2)cn1 ZINC000047214443 343559116 /nfs/dbraw/zinc/55/91/16/343559116.db2.gz ZQYIXAFWELUXOO-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM CC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000082525613 187266569 /nfs/dbraw/zinc/26/65/69/187266569.db2.gz BRGGSEZPDVLTJD-LLVKDONJSA-N -1 0 221.256 1.565 50 0 BDAARM COc1c(Cl)ccc(O)c1C(=O)[O-] ZINC000049582089 343603930 /nfs/dbraw/zinc/60/39/30/343603930.db2.gz UDVPCPDQXIUAKI-UHFFFAOYSA-N -1 0 202.593 1.752 50 0 BDAARM Nc1cccc([C@@H]2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000057351126 187273059 /nfs/dbraw/zinc/27/30/59/187273059.db2.gz ZEMMOEMPUPFAGT-WPRPVWTQSA-N -1 0 219.240 1.416 50 0 BDAARM CC1(C)[C@H](C(=O)Nc2cccc(O)c2)[C@@H]1C(=O)[O-] ZINC000071279207 187275390 /nfs/dbraw/zinc/27/53/90/187275390.db2.gz DBOVTCCKCJYOHX-VHSXEESVSA-N -1 0 249.266 1.688 50 0 BDAARM CC(C)(OC(=O)c1ccccc1)C(=O)[O-] ZINC000075615689 187277124 /nfs/dbraw/zinc/27/71/24/187277124.db2.gz XGWKCHAQEYLCBD-UHFFFAOYSA-N -1 0 208.213 1.707 50 0 BDAARM OCc1cc(O)ccc1Br ZINC000089064983 344244095 /nfs/dbraw/zinc/24/40/95/344244095.db2.gz AEMFITZCDVUFNN-UHFFFAOYSA-N -1 0 203.035 1.647 50 0 BDAARM CC(=O)N[C@@]12C[C@@H]3C[C@@H](C[C@@](C(=O)[O-])(C3)C1)C2 ZINC000100241609 187290809 /nfs/dbraw/zinc/29/08/09/187290809.db2.gz XBMPXAYRLNNWET-QZHINBJYSA-N -1 0 237.299 1.546 50 0 BDAARM N[C@@](C(=O)[O-])(c1ccccc1)C(F)(F)F ZINC000039021775 344444395 /nfs/dbraw/zinc/44/43/95/344444395.db2.gz FUPRWUOOEKSLDF-MRVPVSSYSA-N -1 0 219.162 1.488 50 0 BDAARM COC(=O)C1=C([O-])c2c(C)noc2CC1(C)C ZINC000000287421 344678040 /nfs/dbraw/zinc/67/80/40/344678040.db2.gz WNXLLQUPJSNZMI-SECBINFHSA-N -1 0 237.255 1.537 50 0 BDAARM CN(C)c1ccnc2sc3c([n-]cnc3=O)c21 ZINC000005081716 344936317 /nfs/dbraw/zinc/93/63/17/344936317.db2.gz ZKEYHEBYOUWRQZ-UHFFFAOYSA-N -1 0 246.295 1.599 50 0 BDAARM CSc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000097813 187300414 /nfs/dbraw/zinc/30/04/14/187300414.db2.gz ORZNNXPBJMLVIW-VOTSOKGWSA-N -1 0 237.280 1.988 50 0 BDAARM O=C([O-])Cc1cc[nH]c(=O)c1C(F)(F)F ZINC000238696223 345111406 /nfs/dbraw/zinc/11/14/06/345111406.db2.gz DVRYQOYMFGBHCW-UHFFFAOYSA-N -1 0 221.134 1.433 50 0 BDAARM CC(C)N(C(=O)CCC(=O)[O-])C(C)C ZINC000002737757 187302142 /nfs/dbraw/zinc/30/21/42/187302142.db2.gz WYWMSDILLLWJFQ-UHFFFAOYSA-N -1 0 201.266 1.497 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1cccc2cccnc21 ZINC000013146930 187307310 /nfs/dbraw/zinc/30/73/10/187307310.db2.gz VAEDJJPDTRPPQL-VOTSOKGWSA-N -1 0 242.234 1.814 50 0 BDAARM O=C([O-])[C@@H]1SCCN1c1ccccc1 ZINC000000443020 345762139 /nfs/dbraw/zinc/76/21/39/345762139.db2.gz WGIROCSDYHZQIG-VIFPVBQESA-N -1 0 209.270 1.651 50 0 BDAARM Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)[O-])CO2 ZINC000032917168 178947442 /nfs/dbraw/zinc/94/74/42/178947442.db2.gz UCAKNMPZFMRRGQ-MRVPVSSYSA-N -1 0 235.239 1.417 50 0 BDAARM Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000003881186 179008893 /nfs/dbraw/zinc/00/88/93/179008893.db2.gz ITKCGEBAAOLKSC-LLVKDONJSA-N -1 0 233.267 1.684 50 0 BDAARM CCOc1cnc(-c2ccccc2)[nH]c1=O ZINC000005489368 346241263 /nfs/dbraw/zinc/24/12/63/346241263.db2.gz PGJSUZXAMPPQPL-UHFFFAOYSA-N -1 0 216.240 1.836 50 0 BDAARM Cc1cccc(C(=O)NCCC(=O)[O-])c1 ZINC000003300693 179016453 /nfs/dbraw/zinc/01/64/53/179016453.db2.gz NBRIQMGRSUGDRU-UHFFFAOYSA-N -1 0 207.229 1.200 50 0 BDAARM Cc1cccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000003220751 179019522 /nfs/dbraw/zinc/01/95/22/179019522.db2.gz HODWPRQQRJVYGG-LLVKDONJSA-N -1 0 235.283 1.834 50 0 BDAARM Cc1cc(C(=O)[O-])nc2cc(C(F)(F)F)nn21 ZINC000214978478 187319232 /nfs/dbraw/zinc/31/92/32/187319232.db2.gz XAPJVSORZWEXED-UHFFFAOYSA-N -1 0 245.160 1.755 50 0 BDAARM Cc1cccc(C)c1Nc1nc(=O)c(C)n[n-]1 ZINC000008997547 179045284 /nfs/dbraw/zinc/04/52/84/179045284.db2.gz ZMJAHDIPFMOQGY-UHFFFAOYSA-N -1 0 230.271 1.834 50 0 BDAARM CCCc1ccc(-n2nn[n-]c2=S)cc1 ZINC000000100293 346401160 /nfs/dbraw/zinc/40/11/60/346401160.db2.gz ZBXICRNUKNWKNL-UHFFFAOYSA-N -1 0 220.301 1.904 50 0 BDAARM Cc1cc(=O)n2[n-]c(C(C)(C)C)cc2n1 ZINC000000165451 346401921 /nfs/dbraw/zinc/40/19/21/346401921.db2.gz MARKXZVYUMHNFZ-UHFFFAOYSA-N -1 0 205.261 1.629 50 0 BDAARM Cc1cccc(NC(=O)NCCCC(=O)[O-])c1 ZINC000019980955 179133962 /nfs/dbraw/zinc/13/39/62/179133962.db2.gz GSOPIQWRPDOQKD-UHFFFAOYSA-N -1 0 236.271 1.981 50 0 BDAARM Cc1cccc2c(=O)cc(C(=O)[O-])[nH]c12 ZINC000005504128 179211916 /nfs/dbraw/zinc/21/19/16/179211916.db2.gz ADSHTOPIOBVQEW-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 BDAARM Cc1cccc2c1CCN2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000240244216 179212769 /nfs/dbraw/zinc/21/27/69/179212769.db2.gz DKZFZUACFGPOCF-WDEREUQCSA-N -1 0 245.278 1.605 50 0 BDAARM Cc1ccccc1-n1cc(C(=O)[O-])nn1 ZINC000036666764 179240713 /nfs/dbraw/zinc/24/07/13/179240713.db2.gz DAYJQFRBEKQYDR-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])c1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000003141226 347538981 /nfs/dbraw/zinc/53/89/81/347538981.db2.gz LXRKDEAFRQCTBN-VMPITWQZSA-N -1 0 249.247 1.709 50 0 BDAARM CS(=O)(=O)[N-]c1ccc(-c2ccccc2)nn1 ZINC000195576970 347648511 /nfs/dbraw/zinc/64/85/11/347648511.db2.gz NBISYZSOWUREIW-UHFFFAOYSA-N -1 0 249.295 1.515 50 0 BDAARM Cc1ccccc1N[C@H]1SC(=O)[N-]C1=O ZINC000000969683 179306928 /nfs/dbraw/zinc/30/69/28/179306928.db2.gz FHDMQTCVTPKBMD-VIFPVBQESA-N -1 0 222.269 1.716 50 0 BDAARM Cc1ccccc1[C@H]1CN(CC(=O)[O-])[C@H](C)CO1 ZINC000266531521 179349254 /nfs/dbraw/zinc/34/92/54/179349254.db2.gz MFDZMLKUMXJPBO-DGCLKSJQSA-N -1 0 249.310 1.841 50 0 BDAARM CC(C)[C@@H]1Cc2[nH]c(=O)c(C(=O)[O-])cc2CO1 ZINC000008658200 190978385 /nfs/dbraw/zinc/97/83/85/190978385.db2.gz AFUFXACRYGRXQR-JTQLQIEISA-N -1 0 237.255 1.170 50 0 biogenic BDAARM Cc1cscc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000086815058 179803161 /nfs/dbraw/zinc/80/31/61/179803161.db2.gz AQAMWLHLWXMALK-ZCFIWIBFSA-N -1 0 227.285 1.507 50 0 BDAARM O=C([O-])c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000037429574 190989095 /nfs/dbraw/zinc/98/90/95/190989095.db2.gz PCYBGEKXCCDMAU-SECBINFHSA-N -1 0 238.264 1.792 50 0 BDAARM CCCCc1nc(C(=O)OC)c(C(=O)OC)[n-]1 ZINC000034412421 190985640 /nfs/dbraw/zinc/98/56/40/190985640.db2.gz XODOWGJPVFJPEU-UHFFFAOYSA-N -1 0 240.259 1.326 50 0 BDAARM CCOc1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000000753517 350049289 /nfs/dbraw/zinc/04/92/89/350049289.db2.gz GOOCIVZVHKZJKH-UHFFFAOYSA-N -1 0 220.228 1.142 50 0 BDAARM CC(C)[C@@H](C)C(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256625 538057424 /nfs/dbraw/zinc/05/74/24/538057424.db2.gz YHDWRJQSWDVYHN-ZCFIWIBFSA-N -1 0 226.232 1.603 50 0 BDAARM Cc1nc2ccccc2c(=O)n1[C@H](C)C(=O)[O-] ZINC000010151859 180101581 /nfs/dbraw/zinc/10/15/81/180101581.db2.gz VLQZTHQZSBGXIJ-SSDOTTSWSA-N -1 0 232.239 1.351 50 0 BDAARM CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000011891064 168623696 /nfs/dbraw/zinc/62/36/96/168623696.db2.gz YXQLJEQFZUMUPB-LBPRGKRZSA-N -1 0 249.310 1.989 50 0 BDAARM Cc1nccn1Cc1ccc(C(=O)[O-])o1 ZINC000095854720 180269025 /nfs/dbraw/zinc/26/90/25/180269025.db2.gz GQNJZXWAYAGYQI-UHFFFAOYSA-N -1 0 206.201 1.531 50 0 BDAARM Nc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000040471936 350365857 /nfs/dbraw/zinc/36/58/57/350365857.db2.gz QUZYAFQPJQSVRD-SNVBAGLBSA-N -1 0 248.282 1.206 50 0 BDAARM C[C@@H](C[S@](=O)[O-])C(=O)Nc1ccccc1 ZINC000012383577 350366106 /nfs/dbraw/zinc/36/61/06/350366106.db2.gz HTHYNLSGGVIMTR-QMMMGPOBSA-N -1 0 227.285 1.483 50 0 BDAARM Cc1nn(Cc2ccc(C(=O)[O-])cc2)c(C)c1N ZINC000012397056 180391465 /nfs/dbraw/zinc/39/14/65/180391465.db2.gz JCVWHGQFLUPJMS-UHFFFAOYSA-N -1 0 245.282 1.829 50 0 BDAARM Cc1oc(CN(C)C(=O)C2CC2)cc1C(=O)[O-] ZINC000095970409 180531976 /nfs/dbraw/zinc/53/19/76/180531976.db2.gz VWWILLGWZROZPV-UHFFFAOYSA-N -1 0 237.255 1.655 50 0 BDAARM Cc1occc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000004585595 180537035 /nfs/dbraw/zinc/53/70/35/180537035.db2.gz XAHDEBFBDCDIHF-VIFPVBQESA-N -1 0 237.255 1.525 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ncccn1 ZINC000001001329 350977315 /nfs/dbraw/zinc/97/73/15/350977315.db2.gz GLFHVTXLZKMYMA-IUCAKERBSA-N -1 0 247.254 1.082 50 0 BDAARM CCCCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002084145 351947195 /nfs/dbraw/zinc/94/71/95/351947195.db2.gz MTOZLYBOVULJLR-QWRGUYRKSA-N -1 0 239.315 1.960 50 0 BDAARM CC(C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccn1 ZINC000040162960 187944935 /nfs/dbraw/zinc/94/49/35/187944935.db2.gz YKPGTPDRMJJFDN-JOYOIKCWSA-N -1 0 248.282 1.464 50 0 biogenic BDAARM C=Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000014187785 187933665 /nfs/dbraw/zinc/93/36/65/187933665.db2.gz FWWMLSVOLRDUSG-UHFFFAOYSA-N -1 0 236.252 1.634 50 0 BDAARM CC(C)[C@H](C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000019817852 187935373 /nfs/dbraw/zinc/93/53/73/187935373.db2.gz FGAZTRCSRQPMET-SNVBAGLBSA-N -1 0 246.270 1.622 50 0 BDAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C)on2)o1 ZINC000095459495 187973957 /nfs/dbraw/zinc/97/39/57/187973957.db2.gz ATYWYEONSQEIAG-UHFFFAOYSA-N -1 0 242.256 1.685 50 0 BDAARM O=C([O-])[C@](O)(c1ccccc1)C(F)(F)F ZINC000026509207 188010302 /nfs/dbraw/zinc/01/03/02/188010302.db2.gz XXYXYHGJDXFJPH-MRVPVSSYSA-N -1 0 220.146 1.521 50 0 BDAARM CCOc1cncc(N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000071175431 188048080 /nfs/dbraw/zinc/04/80/80/188048080.db2.gz MPORVZONRIZPAF-MRVPVSSYSA-N -1 0 239.275 1.032 50 0 BDAARM CCCCC[C@H](NC(=O)C1CC1)C(=O)[O-] ZINC000097036371 168745479 /nfs/dbraw/zinc/74/54/79/168745479.db2.gz VKFHLFRXGNJQBC-VIFPVBQESA-N -1 0 213.277 1.546 50 0 BDAARM COc1nc(C(F)(F)F)ccc1CC(=O)[O-] ZINC000143829705 356472708 /nfs/dbraw/zinc/47/27/08/356472708.db2.gz RCFQLXRYCHLOIH-UHFFFAOYSA-N -1 0 235.161 1.736 50 0 BDAARM Cc1ccoc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000021954675 356548651 /nfs/dbraw/zinc/54/86/51/356548651.db2.gz OJZLBWUSAARDAI-UHFFFAOYSA-N -1 0 237.255 1.525 50 0 BDAARM CCc1onc(-c2cccn2C)c1C(=O)[O-] ZINC000675058134 538480532 /nfs/dbraw/zinc/48/05/32/538480532.db2.gz WPMPJKQLWSKWPM-UHFFFAOYSA-N -1 0 220.228 1.941 50 0 BDAARM CCc1onc(-c2ccc[nH]2)c1C(=O)[O-] ZINC000675057927 538480927 /nfs/dbraw/zinc/48/09/27/538480927.db2.gz RXMZWOQVDPZWNL-UHFFFAOYSA-N -1 0 206.201 1.930 50 0 BDAARM CCc1onc(-c2nccn2C)c1C(=O)[O-] ZINC000675058215 538481156 /nfs/dbraw/zinc/48/11/56/538481156.db2.gz YBEDCJSOEDTIEN-UHFFFAOYSA-N -1 0 221.216 1.336 50 0 BDAARM C[C@@H]1CCO[C@@H]1C(=O)Nc1cc(O)cc(F)c1 ZINC000095979231 538612074 /nfs/dbraw/zinc/61/20/74/538612074.db2.gz NKBXWWFLZJQBHE-HQJQHLMTSA-N -1 0 239.246 1.895 50 0 BDAARM CCOC(=O)N1CCC([C@H](F)C(=O)[O-])CC1 ZINC000685951613 538895466 /nfs/dbraw/zinc/89/54/66/538895466.db2.gz WKXSJMVWMCYSHY-QMMMGPOBSA-N -1 0 233.239 1.278 50 0 BDAARM NC(=O)c1ccc2cc(C(=O)[O-])cnc2c1 ZINC000261507095 181302373 /nfs/dbraw/zinc/30/23/73/181302373.db2.gz FFWFJFXJLZAEIX-UHFFFAOYSA-N -1 0 216.196 1.032 50 0 BDAARM C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006795588 360856872 /nfs/dbraw/zinc/85/68/72/360856872.db2.gz ATVYTAIFDKXCIU-LURJTMIESA-N -1 0 231.280 1.374 50 0 BDAARM COCc1nc(NCC2CC2)ncc1C(=O)[O-] ZINC000169751217 361029754 /nfs/dbraw/zinc/02/97/54/361029754.db2.gz JIZQINMZAOVFKE-UHFFFAOYSA-N -1 0 237.259 1.143 50 0 BDAARM CC(C)(C)OC(=O)NCc1cc(=O)[n-]o1 ZINC000039630729 361022546 /nfs/dbraw/zinc/02/25/46/361022546.db2.gz UFHSATSEOWIFOC-UHFFFAOYSA-N -1 0 214.221 1.405 50 0 BDAARM C[C@H]1[C@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000238457561 361079676 /nfs/dbraw/zinc/07/96/76/361079676.db2.gz GLXXUWWAQCAPNM-NKWVEPMBSA-N -1 0 215.249 1.326 50 0 BDAARM O=C([O-])C1CN(C(=O)c2ccc(Cl)s2)C1 ZINC000070569369 361564077 /nfs/dbraw/zinc/56/40/77/361564077.db2.gz HYKVGYIKILPNLD-UHFFFAOYSA-N -1 0 245.687 1.558 50 0 BDAARM CC(CCC(=O)[O-])N=Nc1ccc(Cl)nn1 ZINC000252598780 363983725 /nfs/dbraw/zinc/98/37/25/363983725.db2.gz DDWRIJPSKSVNSJ-UHFFFAOYSA-N -1 0 242.666 1.783 50 0 BDAARM CC(C)[C@H](NC(=O)CC[C@H]1CCCO1)C(=O)[O-] ZINC000037432865 364028895 /nfs/dbraw/zinc/02/88/95/364028895.db2.gz BYTMLOPCUWOLGL-KOLCDFICSA-N -1 0 243.303 1.171 50 0 BDAARM O=C([O-])c1ccn2cc(Br)nc2c1 ZINC000211846091 368361429 /nfs/dbraw/zinc/36/14/29/368361429.db2.gz PEZKEUGUWBNUMB-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM O=c1c2ccccc2nc2sc(=S)[n-]n21 ZINC000005604835 369028825 /nfs/dbraw/zinc/02/88/25/369028825.db2.gz NRKSFEOTDHSSGR-UHFFFAOYSA-N -1 0 235.293 1.593 50 0 BDAARM O=C([O-])CN(C(=O)/C=C\c1ccccn1)C1CC1 ZINC000606441638 372101907 /nfs/dbraw/zinc/10/19/07/372101907.db2.gz FYZGKJWYTSLXIE-DAXSKMNVSA-N -1 0 246.266 1.170 50 0 BDAARM O=C([O-])c1cccc(NC(=O)c2ccco2)c1O ZINC000001429476 182366891 /nfs/dbraw/zinc/36/68/91/182366891.db2.gz JQRIPHBRKFRROI-UHFFFAOYSA-N -1 0 247.206 1.936 50 0 BDAARM O=C([O-])c1ccccc1NC(=O)c1cc[nH]n1 ZINC000000129143 182377849 /nfs/dbraw/zinc/37/78/49/182377849.db2.gz HLSFGRIYROGCTO-UHFFFAOYSA-N -1 0 231.211 1.360 50 0 BDAARM O=C([O-])C1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000019509271 182428866 /nfs/dbraw/zinc/42/88/66/182428866.db2.gz NSJGTGUPGMEURL-JTQLQIEISA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])CCC(=O)Nc1nnc(C2CC2)s1 ZINC000000205234 182433302 /nfs/dbraw/zinc/43/33/02/182433302.db2.gz ABUHPVQZXYYQBK-UHFFFAOYSA-N -1 0 241.272 1.219 50 0 BDAARM O=C([O-])CCCCN1C(=O)c2ccccc2C1=O ZINC000002030829 182437141 /nfs/dbraw/zinc/43/71/41/182437141.db2.gz VVYAIXIPOVUMQD-UHFFFAOYSA-N -1 0 247.250 1.538 50 0 BDAARM O=C([O-])COc1ccc2c(c1)CCC(=O)N2 ZINC000011730299 182470826 /nfs/dbraw/zinc/47/08/26/182470826.db2.gz VYZHZRBXFADZJA-UHFFFAOYSA-N -1 0 221.212 1.035 50 0 BDAARM O=C([O-])C[C@@H](c1ccccc1)N1CCOC1=O ZINC000036960934 182476214 /nfs/dbraw/zinc/47/62/14/182476214.db2.gz YNSLINIWXMFCJF-JTQLQIEISA-N -1 0 235.239 1.655 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000000873470 182510347 /nfs/dbraw/zinc/51/03/47/182510347.db2.gz JJTYFIFTNRNBSS-MRVPVSSYSA-N -1 0 223.228 1.216 50 0 BDAARM O=C([O-])[C@H](O)c1ccccc1C(F)(F)F ZINC000006095449 182529760 /nfs/dbraw/zinc/52/97/60/182529760.db2.gz QNVLFHMMPUBIIN-SSDOTTSWSA-N -1 0 220.146 1.823 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000000198031 182531131 /nfs/dbraw/zinc/53/11/31/182531131.db2.gz SPNFIZUVZRKIQZ-ZETCQYMHSA-N -1 0 223.203 1.263 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccon1 ZINC000028225449 182532455 /nfs/dbraw/zinc/53/24/55/182532455.db2.gz YPJGYFWCFUVDGT-YUMQZZPRSA-N -1 0 236.227 1.280 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccco1 ZINC000000036260 182535123 /nfs/dbraw/zinc/53/51/23/182535123.db2.gz JQPXLPVJRYDONF-BRAIEQGRSA-N -1 0 235.239 1.368 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000000477263 182536573 /nfs/dbraw/zinc/53/65/73/182536573.db2.gz MCMRHIIVSHWBEA-SNVBAGLBSA-N -1 0 240.303 1.578 50 0 BDAARM O=C([O-])c1c[nH]c2ncc(Br)nc12 ZINC000145469655 182549685 /nfs/dbraw/zinc/54/96/85/182549685.db2.gz GMNHPDGWLWPFSV-UHFFFAOYSA-N -1 0 242.032 1.419 50 0 BDAARM O=C([O-])c1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000005606445 182551771 /nfs/dbraw/zinc/55/17/71/182551771.db2.gz FBHYBXRWVNVMRY-UHFFFAOYSA-N -1 0 223.615 1.880 50 0 BDAARM O=C([O-])c1cc2cc(F)ccc2[nH]c1=O ZINC000011956231 182560351 /nfs/dbraw/zinc/56/03/51/182560351.db2.gz NHROTQIETDGGMP-UHFFFAOYSA-N -1 0 207.160 1.365 50 0 BDAARM O=C([O-])c1ccc(-c2cccs2)[nH]c1=O ZINC000039947631 182562624 /nfs/dbraw/zinc/56/26/24/182562624.db2.gz QEMPNEIECJTFED-UHFFFAOYSA-N -1 0 221.237 1.802 50 0 BDAARM O=C([O-])c1nnn2c1CO[C@@H](c1ccccc1)C2 ZINC000098211124 182597098 /nfs/dbraw/zinc/59/70/98/182597098.db2.gz BVUBLUDRHKHQPN-SNVBAGLBSA-N -1 0 245.238 1.248 50 0 BDAARM O=S(=O)([O-])CCCCc1ccccc1 ZINC000004797148 182901570 /nfs/dbraw/zinc/90/15/70/182901570.db2.gz PNLGRFATDRYEGI-UHFFFAOYSA-N -1 0 214.286 1.897 50 0 BDAARM O=S(=O)([O-])c1ccc2ccc(O)cc2c1 ZINC000001576969 182903958 /nfs/dbraw/zinc/90/39/58/182903958.db2.gz MVEOHWRUBFWKJY-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM CCCCn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003280977 169038184 /nfs/dbraw/zinc/03/81/84/169038184.db2.gz OWSDLAPHEMKEAS-UHFFFAOYSA-N -1 0 246.266 1.895 50 0 BDAARM O=c1[n-]c(=S)[nH]nc1-c1cccs1 ZINC000018046496 183253141 /nfs/dbraw/zinc/25/31/41/183253141.db2.gz YDOAVONEZJKTNW-UHFFFAOYSA-N -1 0 211.271 1.968 50 0 BDAARM O=c1cnnc(Nc2ccc3c(c2)OCO3)[n-]1 ZINC000008997348 183305063 /nfs/dbraw/zinc/30/50/63/183305063.db2.gz OQBSJRREEOTPEQ-UHFFFAOYSA-N -1 0 232.199 1.050 50 0 BDAARM CCCN1C(=O)Cc2ccccc2[C@H]1C(=O)[O-] ZINC000169676834 169184763 /nfs/dbraw/zinc/18/47/63/169184763.db2.gz UEPVSFGPKIZQFO-LBPRGKRZSA-N -1 0 233.267 1.607 50 0 BDAARM CCCS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000019423132 169334933 /nfs/dbraw/zinc/33/49/33/169334933.db2.gz QEQFQVHUVIDQBN-UHFFFAOYSA-N -1 0 228.269 1.569 50 0 BDAARM CCC[C@@H](C)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000037457914 169351429 /nfs/dbraw/zinc/35/14/29/169351429.db2.gz SPNJJVNKEQUYTK-SFYZADRCSA-N -1 0 201.266 1.402 50 0 BDAARM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001731781 169397196 /nfs/dbraw/zinc/39/71/96/169397196.db2.gz INWOAUUPYIXDHN-SSDOTTSWSA-N -1 0 217.265 1.764 50 0 in-vitro BDAARM CCC[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000006769758 169467754 /nfs/dbraw/zinc/46/77/54/169467754.db2.gz RPDPHEZMQVNFNN-LLVKDONJSA-N -1 0 233.267 1.896 50 0 BDAARM O=C([O-])CCC(=O)OCc1ccccc1 ZINC000000061540 383821904 /nfs/dbraw/zinc/82/19/04/383821904.db2.gz UGUBQKZSNQWWEV-UHFFFAOYSA-N -1 0 208.213 1.595 50 0 biogenic BDAARM Cc1cc(C(F)(F)F)n2nc(C(=O)[O-])cc2n1 ZINC000000058932 383822004 /nfs/dbraw/zinc/82/20/04/383822004.db2.gz UWQIEJSYYZOGBU-UHFFFAOYSA-N -1 0 245.160 1.755 50 0 BDAARM CC(=O)c1cn(CC(=O)[O-])c2ccccc12 ZINC000000807322 383879432 /nfs/dbraw/zinc/87/94/32/383879432.db2.gz DAZONLHSNIDOME-UHFFFAOYSA-N -1 0 217.224 1.929 50 0 biogenic BDAARM O=C([O-])[C@@H]1CSC(c2ccccc2O)=N1 ZINC000087530989 383847033 /nfs/dbraw/zinc/84/70/33/383847033.db2.gz CECDPVOEINSAQG-ZETCQYMHSA-N -1 0 223.253 1.339 50 0 in-vitro BDAARM CN(Cc1ccccc1)C(=O)CCC(=O)[O-] ZINC000000377856 383859962 /nfs/dbraw/zinc/85/99/62/383859962.db2.gz QVLQRCDRWHFXRF-UHFFFAOYSA-N -1 0 221.256 1.510 50 0 BDAARM O=C([O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000000128620 383829840 /nfs/dbraw/zinc/82/98/40/383829840.db2.gz ZTGMNCCDDKBPML-UHFFFAOYSA-N -1 0 233.267 1.623 50 0 BDAARM Nc1nc(Cl)c(Cl)nc1C(=O)[O-] ZINC000001591664 383909938 /nfs/dbraw/zinc/90/99/38/383909938.db2.gz UFOUSHWZVOIJKK-UHFFFAOYSA-N -1 0 208.004 1.064 50 0 BDAARM CC(=O)c1c(F)ccc(F)c1C(=O)[O-] ZINC000002570143 383978026 /nfs/dbraw/zinc/97/80/26/383978026.db2.gz IHGWIRJWNPNDTJ-UHFFFAOYSA-N -1 0 200.140 1.866 50 0 BDAARM Cn1cc(/C=C/c2ncc(C(=O)[O-])s2)cn1 ZINC000071892673 384000002 /nfs/dbraw/zinc/00/00/02/384000002.db2.gz QKQOKOXQNTWAMX-NSCUHMNNSA-N -1 0 235.268 1.745 50 0 BDAARM Cc1cc(C(F)(F)F)n(CC(=O)[O-])n1 ZINC000002534229 383970991 /nfs/dbraw/zinc/97/09/91/383970991.db2.gz AOZDTWHBSYCPSX-UHFFFAOYSA-N -1 0 208.139 1.295 50 0 BDAARM Cc1nn(C)c2nc(C)cc(C(=O)[O-])c12 ZINC000004294519 384052591 /nfs/dbraw/zinc/05/25/91/384052591.db2.gz RDFKCZQFWJDUEX-UHFFFAOYSA-N -1 0 205.217 1.283 50 0 BDAARM O=C([O-])CSc1ncnc2c1CCCC2 ZINC000004566584 384069625 /nfs/dbraw/zinc/06/96/25/384069625.db2.gz ZROQZHUXZJENQN-UHFFFAOYSA-N -1 0 224.285 1.532 50 0 BDAARM CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004762227 384080016 /nfs/dbraw/zinc/08/00/16/384080016.db2.gz SZQMTCSQWUYUML-SNVBAGLBSA-N -1 0 237.255 1.776 50 0 BDAARM CC(C)CCNC(=O)CCCC(=O)[O-] ZINC000004784097 384080639 /nfs/dbraw/zinc/08/06/39/384080639.db2.gz XLHCRGDRDPCYCA-UHFFFAOYSA-N -1 0 201.266 1.404 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)[O-])C1 ZINC000091304513 384118655 /nfs/dbraw/zinc/11/86/55/384118655.db2.gz QXRGGYBREHVBNA-PELKAZGASA-N -1 0 241.287 1.718 50 0 BDAARM O=C([O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000070655542 384129730 /nfs/dbraw/zinc/12/97/30/384129730.db2.gz AKQJIXVJEGEZKE-UHFFFAOYSA-N -1 0 206.201 1.128 50 0 BDAARM CC(C)(C)NS(=O)(=O)c1ccccc1[O-] ZINC000071534117 384171885 /nfs/dbraw/zinc/17/18/85/384171885.db2.gz WOIZDWICZBAFAH-UHFFFAOYSA-N -1 0 229.301 1.469 50 0 BDAARM O=C([O-])CCCCOc1ccc(CO)cc1 ZINC000002509837 384165862 /nfs/dbraw/zinc/16/58/62/384165862.db2.gz FXGJFXIOKQGUON-UHFFFAOYSA-N -1 0 224.256 1.813 50 0 BDAARM Cc1[nH]c(=O)c(C(=O)[O-])c(C)c1Br ZINC000071792033 384179330 /nfs/dbraw/zinc/17/93/30/384179330.db2.gz HCAGHMXSHRYPJV-UHFFFAOYSA-N -1 0 246.060 1.865 50 0 BDAARM CCOCCOc1cccc(C(=O)[O-])c1 ZINC000008722908 384211397 /nfs/dbraw/zinc/21/13/97/384211397.db2.gz PDBRKLANBVKFLK-UHFFFAOYSA-N -1 0 210.229 1.800 50 0 BDAARM O=C([O-])CCc1cc2cc(F)ccc2[nH]c1=O ZINC000011981958 384305183 /nfs/dbraw/zinc/30/51/83/384305183.db2.gz RQJFLSUHJJHTTL-UHFFFAOYSA-N -1 0 235.214 1.684 50 0 BDAARM CC(C)c1nc(C(=O)N[C@@H](C)C(=O)[O-])cs1 ZINC000097018483 384284633 /nfs/dbraw/zinc/28/46/33/384284633.db2.gz KFPGJUODZMINTD-LURJTMIESA-N -1 0 242.300 1.469 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cc(C)ccc1C ZINC000011888111 384301197 /nfs/dbraw/zinc/30/11/97/384301197.db2.gz NRAKPJJFYUOXES-UHFFFAOYSA-N -1 0 231.255 1.891 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013224132 384353216 /nfs/dbraw/zinc/35/32/16/384353216.db2.gz ZQGGISHTBSBBQS-JLLWLGSASA-N -1 0 247.294 1.975 50 0 BDAARM O=C([O-])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000012649290 384329612 /nfs/dbraw/zinc/32/96/12/384329612.db2.gz JSASVUTVTRNJHA-LLVKDONJSA-N -1 0 249.266 1.730 50 0 BDAARM COc1cc(C(=O)CCC(=O)[O-])ccn1 ZINC000095883312 384405421 /nfs/dbraw/zinc/40/54/21/384405421.db2.gz UKKHJVMMQKXCOS-UHFFFAOYSA-N -1 0 209.201 1.138 50 0 BDAARM CC1(C)C[C@](O)(c2cc(C(=O)[O-])no2)CCO1 ZINC000015081360 384417457 /nfs/dbraw/zinc/41/74/57/384417457.db2.gz BMLQQWUTUVXMDM-NSHDSACASA-N -1 0 241.243 1.149 50 0 BDAARM CC(C)(C)OC(=O)N1C([O-])=CC(=O)C1(C)C ZINC000095642785 384387381 /nfs/dbraw/zinc/38/73/81/384387381.db2.gz JDAJEPNYICNNBM-UHFFFAOYSA-N -1 0 227.260 1.984 50 0 BDAARM Cc1occc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000097228543 384452096 /nfs/dbraw/zinc/45/20/96/384452096.db2.gz MSUSOBTYKDTJGJ-UHFFFAOYSA-N -1 0 225.244 1.429 50 0 BDAARM CCC(=O)Nc1ccc(N)cc1C(=O)[O-] ZINC000062831424 384473984 /nfs/dbraw/zinc/47/39/84/384473984.db2.gz JIOCDBWCVMFFLG-UHFFFAOYSA-N -1 0 208.217 1.316 50 0 BDAARM O=C([O-])CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000238171339 384522691 /nfs/dbraw/zinc/52/26/91/384522691.db2.gz FXUXIKXXWGEHQG-VIFPVBQESA-N -1 0 249.266 1.144 50 0 BDAARM O=C([O-])CNc1ccc(C(F)(F)F)cn1 ZINC000019511810 384527741 /nfs/dbraw/zinc/52/77/41/384527741.db2.gz BLWLBHNBENFLEA-UHFFFAOYSA-N -1 0 220.150 1.597 50 0 BDAARM O=C([O-])Cn1cc(NC(=O)C2CCCC2)cn1 ZINC000019686568 384530816 /nfs/dbraw/zinc/53/08/16/384530816.db2.gz BWPLQDUKXAUMRH-UHFFFAOYSA-N -1 0 237.259 1.096 50 0 BDAARM CC(C)(C)OC(=O)[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000097758764 384554769 /nfs/dbraw/zinc/55/47/69/384554769.db2.gz HJOUDETYISYMGL-JGVFFNPUSA-N -1 0 212.245 1.605 50 0 BDAARM O=C([O-])/C=C/c1ccc(C(=O)NC2CC2)cc1 ZINC000020227478 384604322 /nfs/dbraw/zinc/60/43/22/384604322.db2.gz FFXXWFKUBVGRPU-FPYGCLRLSA-N -1 0 231.251 1.677 50 0 BDAARM O=C([O-])CC(=O)COCc1ccccc1 ZINC000098213476 384604632 /nfs/dbraw/zinc/60/46/32/384604632.db2.gz ORYURBMWVSADFI-UHFFFAOYSA-N -1 0 208.213 1.247 50 0 BDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CCO ZINC000100007886 384609075 /nfs/dbraw/zinc/60/90/75/384609075.db2.gz JQICUSPEMWKTSQ-UHFFFAOYSA-N -1 0 218.256 1.009 50 0 BDAARM CC[C@](NC(C)=O)(C(=O)[O-])c1ccccc1 ZINC000059138770 384630221 /nfs/dbraw/zinc/63/02/21/384630221.db2.gz OMIBQLAHWCNOAZ-GFCCVEGCSA-N -1 0 221.256 1.513 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(=O)[O-] ZINC000082164170 384648510 /nfs/dbraw/zinc/64/85/10/384648510.db2.gz JTMAFJQIPKPNFJ-RNFRBKRXSA-N -1 0 215.249 1.374 50 0 BDAARM CC(C)(C)/C=C/C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136120090 384696573 /nfs/dbraw/zinc/69/65/73/384696573.db2.gz WIKFQZPYXSMJLF-VQCYPWCPSA-N -1 0 239.315 1.912 50 0 BDAARM O=C([O-])C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000021951669 384709728 /nfs/dbraw/zinc/70/97/28/384709728.db2.gz XSCGWIQJFOAUDF-UHFFFAOYSA-N -1 0 232.239 1.250 50 0 BDAARM COc1cc(C(=O)[O-])cc2nc(N)oc21 ZINC000082942839 384731248 /nfs/dbraw/zinc/73/12/48/384731248.db2.gz AADJXLKGYKGZAT-UHFFFAOYSA-N -1 0 208.173 1.117 50 0 BDAARM COCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000083749169 384796095 /nfs/dbraw/zinc/79/60/95/384796095.db2.gz NRAGMSQWKTWPIL-QPJJXVBHSA-N -1 0 208.213 1.767 50 0 BDAARM O=C([O-])C1(NC(=O)/C=C\c2cccc(F)c2)CC1 ZINC000214008511 384913700 /nfs/dbraw/zinc/91/37/00/384913700.db2.gz NJAVJCDFKFOTRY-PLNGDYQASA-N -1 0 249.241 1.572 50 0 BDAARM O=C(/C=C/c1ccco1)NC1(C(=O)[O-])CCC1 ZINC000095967063 384918984 /nfs/dbraw/zinc/91/89/84/384918984.db2.gz KDFTVVGWMAKLNQ-SNAWJCMRSA-N -1 0 235.239 1.416 50 0 BDAARM C[C@@H]1Oc2c(cccc2C(=O)[O-])NC1=O ZINC000057218692 384930485 /nfs/dbraw/zinc/93/04/85/384930485.db2.gz CJWMPXSPYXEIOE-YFKPBYRVSA-N -1 0 207.185 1.104 50 0 BDAARM O=C([O-])c1sccc1S(=O)(=O)C(F)F ZINC000060276602 385076130 /nfs/dbraw/zinc/07/61/30/385076130.db2.gz PTPOHXGQPBNIJK-UHFFFAOYSA-N -1 0 242.224 1.443 50 0 BDAARM C[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)[O-] ZINC000005429252 385094035 /nfs/dbraw/zinc/09/40/35/385094035.db2.gz RBSTWSHINSDQFV-LURJTMIESA-N -1 0 242.662 1.935 50 0 BDAARM O=C([O-])CCn1ccc(=O)c2cc(F)ccc21 ZINC000062718815 385183751 /nfs/dbraw/zinc/18/37/51/385183751.db2.gz NEASRPXBNICJPZ-UHFFFAOYSA-N -1 0 235.214 1.615 50 0 BDAARM Nc1cc(Br)cc(C(=O)[O-])c1F ZINC000062350529 385171472 /nfs/dbraw/zinc/17/14/72/385171472.db2.gz MRTOTKCKUHHOLC-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM CC(C)(C)OC(=O)C1(C(=O)[O-])CCC1 ZINC000108270621 385227797 /nfs/dbraw/zinc/22/77/97/385227797.db2.gz BBQOMJWWCICJQN-UHFFFAOYSA-N -1 0 200.234 1.583 50 0 BDAARM Cc1occc1SCc1nc(=O)[n-][nH]1 ZINC000131571519 385345125 /nfs/dbraw/zinc/34/51/25/385345125.db2.gz CJIJDYOQFKILCB-UHFFFAOYSA-N -1 0 211.246 1.292 50 0 BDAARM CN(C)c1ccc(N=Nc2nnn[n-]2)cc1 ZINC000254448704 385692150 /nfs/dbraw/zinc/69/21/50/385692150.db2.gz GMOFNOXLIAJMDU-UHFFFAOYSA-N -1 0 217.236 1.681 50 0 BDAARM CC[C@@H](NC(=O)Cc1cccc(C)c1)C(=O)[O-] ZINC000052127434 385699420 /nfs/dbraw/zinc/69/94/20/385699420.db2.gz BPDPUTWIUADLJT-LLVKDONJSA-N -1 0 235.283 1.517 50 0 BDAARM O=C([O-])c1nnc(Cc2ccccc2)o1 ZINC000057492178 385932977 /nfs/dbraw/zinc/93/29/77/385932977.db2.gz BEQQNTOPOKMNLY-UHFFFAOYSA-N -1 0 204.185 1.359 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000128594386 386017358 /nfs/dbraw/zinc/01/73/58/386017358.db2.gz KLWLTLSVYMVIRW-GMTAPVOTSA-N -1 0 237.299 1.498 50 0 BDAARM CC[C@@H](C(=O)[O-])n1cnc(Br)n1 ZINC000223250459 386082337 /nfs/dbraw/zinc/08/23/37/386082337.db2.gz XSJSENUYLIFHEL-BYPYZUCNSA-N -1 0 234.053 1.076 50 0 BDAARM O=C([O-])c1cnc(OC(F)F)c(F)c1 ZINC000263624156 386157633 /nfs/dbraw/zinc/15/76/33/386157633.db2.gz NYHBFKQNLVCSOR-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM O=C([O-])c1cc(OC(F)F)cnc1F ZINC000263623246 386158155 /nfs/dbraw/zinc/15/81/55/386158155.db2.gz FXUIAFVPSYQSFV-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM O=c1[n-]c(NC2CCCC2)ncc1Cl ZINC000225649819 386211084 /nfs/dbraw/zinc/21/10/84/386211084.db2.gz MGHNBDXUJIBFAK-UHFFFAOYSA-N -1 0 213.668 1.778 50 0 BDAARM O=C(CC1CCCC1)NC1(C(=O)[O-])CCC1 ZINC000088048595 386686462 /nfs/dbraw/zinc/68/64/62/386686462.db2.gz IAQKZMFOMGRVND-UHFFFAOYSA-N -1 0 225.288 1.690 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000071289197 386831001 /nfs/dbraw/zinc/83/10/01/386831001.db2.gz ZHFQKTKVKQBVQF-QMMMGPOBSA-N -1 0 227.260 1.685 50 0 BDAARM C[C@H](CN(C(=O)c1cccnc1)C1CC1)C(=O)[O-] ZINC000071732504 388111647 /nfs/dbraw/zinc/11/16/47/388111647.db2.gz QSCREOMPBZZVOV-SECBINFHSA-N -1 0 248.282 1.407 50 0 BDAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1cccs1 ZINC000042144211 388268701 /nfs/dbraw/zinc/26/87/01/388268701.db2.gz KYXOPLOAEPVDJW-QMMMGPOBSA-N -1 0 239.296 1.827 50 0 BDAARM O=C([O-])C1(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000070531421 388437489 /nfs/dbraw/zinc/43/74/89/388437489.db2.gz CKFJYRNFHZLNFR-VIFPVBQESA-N -1 0 247.250 1.101 50 0 BDAARM CCCCOC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000071618864 388509124 /nfs/dbraw/zinc/50/91/24/388509124.db2.gz YSJDCYTYDTYLJP-MRVPVSSYSA-N -1 0 215.249 1.376 50 0 BDAARM Cc1cc(=O)oc2c(C=O)c([O-])ccc12 ZINC000029131676 177720431 /nfs/dbraw/zinc/72/04/31/177720431.db2.gz RTHHSXOVIJWFQP-UHFFFAOYSA-N -1 0 204.181 1.620 50 0 in-vitro BDAARM Cc1cc(=O)[nH]c2ccc(CC(=O)[O-])cc12 ZINC000012444897 177711631 /nfs/dbraw/zinc/71/16/31/177711631.db2.gz DFXDYPDRZDFRDI-UHFFFAOYSA-N -1 0 217.224 1.464 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1ccco1 ZINC000096400579 388817461 /nfs/dbraw/zinc/81/74/61/388817461.db2.gz FNTJZIVCYKAYBY-JMEBYUIHSA-N -1 0 249.266 1.759 50 0 BDAARM Cc1c[nH]c(=NC(=O)c2cccc(C)c2[O-])[nH]1 ZINC000096483005 388820078 /nfs/dbraw/zinc/82/00/78/388820078.db2.gz JHRXYMIJVMPTFC-UHFFFAOYSA-N -1 0 231.255 1.406 50 0 BDAARM O=C([O-])c1ccc(N2CCC[C@H](O)C2)cc1 ZINC000050913249 132228226 /nfs/dbraw/zinc/22/82/26/132228226.db2.gz MAAUZBDYRGJMKC-NSHDSACASA-N -1 0 221.256 1.346 50 0 BDAARM Cc1ccc2c(c1)N([C@H](C)C(=O)[O-])C(=O)CO2 ZINC000000216551 132313254 /nfs/dbraw/zinc/31/32/54/132313254.db2.gz YTLOBOSYWGKUEF-MRVPVSSYSA-N -1 0 235.239 1.194 50 0 BDAARM O=C([O-])c1cccc(N2CCOCC2)c1 ZINC000004272159 132316498 /nfs/dbraw/zinc/31/64/98/132316498.db2.gz VSKFQESEPGOWBS-UHFFFAOYSA-N -1 0 207.229 1.221 50 0 BDAARM Cc1cncc(N2CCC(C(=O)[O-])CC2)n1 ZINC000012370607 132321173 /nfs/dbraw/zinc/32/11/73/132321173.db2.gz MBDLISJDSPPRMR-UHFFFAOYSA-N -1 0 221.260 1.086 50 0 BDAARM O=C([O-])C1CCN(c2cccnc2)CC1 ZINC000020357842 132331536 /nfs/dbraw/zinc/33/15/36/132331536.db2.gz ZXEJDCPGBVQIKR-UHFFFAOYSA-N -1 0 206.245 1.383 50 0 BDAARM Cc1ccc2c(c1)C[N@@H+](CC(=O)[O-])C[C@H](C)O2 ZINC000299800580 135207111 /nfs/dbraw/zinc/20/71/11/135207111.db2.gz HNCGXMMQJARGAE-JTQLQIEISA-N -1 0 235.283 1.663 50 0 BDAARM CC(C)Cc1nsc(N(C)CCC(=O)[O-])n1 ZINC000263408529 135352261 /nfs/dbraw/zinc/35/22/61/135352261.db2.gz LLDNZXRSLZSTKS-UHFFFAOYSA-N -1 0 243.332 1.648 50 0 BDAARM Cc1cc(N(C)C[C@H](C)C(=O)[O-])nc(C2CC2)n1 ZINC000263548538 135359459 /nfs/dbraw/zinc/35/94/59/135359459.db2.gz IYTKCURLPFULFK-QMMMGPOBSA-N -1 0 249.314 1.819 50 0 BDAARM CC(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000019423808 167319931 /nfs/dbraw/zinc/31/99/31/167319931.db2.gz BOJGIPHAFYLYRH-UHFFFAOYSA-N -1 0 228.269 1.567 50 0 BDAARM C/C(=C/C(=O)[O-])C(=O)NCCc1ccccc1 ZINC000100384649 166231468 /nfs/dbraw/zinc/23/14/68/166231468.db2.gz HRLXQLWVFWCBDU-KTKRTIGZSA-N -1 0 233.267 1.376 50 0 BDAARM CC(C)CC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000087043368 166766061 /nfs/dbraw/zinc/76/60/61/166766061.db2.gz BHHPLGHFBJWARC-UHFFFAOYSA-N -1 0 225.244 1.640 50 0 BDAARM Cc1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000101481756 410774839 /nfs/dbraw/zinc/77/48/39/410774839.db2.gz MOXGQEXICVJFHU-UHFFFAOYSA-N -1 0 234.280 1.909 50 0 BDAARM CCOc1ccccc1Nc1c([O-])c(=O)c1=O ZINC000101568637 410776486 /nfs/dbraw/zinc/77/64/86/410776486.db2.gz WYKTYEPWFPOCOF-UHFFFAOYSA-N -1 0 233.223 1.131 50 0 BDAARM O=C(Nc1ccccc1F)C1=C([O-])CCC1=O ZINC000101817742 410797168 /nfs/dbraw/zinc/79/71/68/410797168.db2.gz LHPYYDFCNXSVHI-UHFFFAOYSA-N -1 0 235.214 1.312 50 0 BDAARM CC(=O)c1c([O-])c2ccccc2n1C(C)=O ZINC000102987289 410868285 /nfs/dbraw/zinc/86/82/85/410868285.db2.gz OWVJOPOZUCWLST-LLVKDONJSA-N -1 0 217.224 1.193 50 0 BDAARM CC(C)OC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000044830728 167166329 /nfs/dbraw/zinc/16/63/29/167166329.db2.gz GSOFYTAEGSFHEI-UHFFFAOYSA-N -1 0 226.232 1.680 50 0 BDAARM CC(C)n1c2ccccc2nc1S(=O)(=O)[O-] ZINC000005690119 167546825 /nfs/dbraw/zinc/54/68/25/167546825.db2.gz ZSZNPVDVEUJQJS-UHFFFAOYSA-O -1 0 241.292 1.283 50 0 in-vitro BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccco2)C1 ZINC000213912857 411100347 /nfs/dbraw/zinc/10/03/47/411100347.db2.gz PFMUCIPBHYHRQZ-ZFDPJTLLSA-N -1 0 249.266 1.616 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccnc1 ZINC000071280403 168005321 /nfs/dbraw/zinc/00/53/21/168005321.db2.gz GISIRJNNDCHWTO-IUCAKERBSA-N -1 0 234.255 1.377 50 0 BDAARM CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1 ZINC000000407595 168080224 /nfs/dbraw/zinc/08/02/24/168080224.db2.gz RJPIEFIYDRBNFF-SNVBAGLBSA-N -1 0 232.239 1.399 50 0 BDAARM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C ZINC000100127609 168135325 /nfs/dbraw/zinc/13/53/25/168135325.db2.gz DCLJFCKCPYGNBT-MRVPVSSYSA-N -1 0 218.260 1.452 50 0 BDAARM Cc1cscc1C(=O)N[C@H](C)CC(=O)[O-] ZINC000086815020 411493999 /nfs/dbraw/zinc/49/39/99/411493999.db2.gz IIGDGSNMNQALNN-SSDOTTSWSA-N -1 0 227.285 1.650 50 0 BDAARM CCNc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000012412117 170176750 /nfs/dbraw/zinc/17/67/50/170176750.db2.gz LQUYAPJYCANBOT-UHFFFAOYSA-N -1 0 211.246 1.122 50 0 BDAARM CCOC(=O)C=C([O-])c1n[nH]c2ccccc21 ZINC000002599177 170197416 /nfs/dbraw/zinc/19/74/16/170197416.db2.gz LSZUCPNJYGQKPA-UHFFFAOYSA-N -1 0 232.239 1.699 50 0 BDAARM CCOC(=O)C=C([O-])c1cccc(OC)c1 ZINC000002575227 170197422 /nfs/dbraw/zinc/19/74/22/170197422.db2.gz FDPPVAYPZOORBP-UHFFFAOYSA-N -1 0 222.240 1.831 50 0 BDAARM CCOC(=O)C=C([O-])c1ccc(F)cc1 ZINC000002506659 170197694 /nfs/dbraw/zinc/19/76/94/170197694.db2.gz SJUXLKYJKQBZLM-UHFFFAOYSA-N -1 0 210.204 1.962 50 0 BDAARM CCOC(=O)COc1ccccc1C(=O)[O-] ZINC000001126564 170229291 /nfs/dbraw/zinc/22/92/91/170229291.db2.gz XZDPPXQRJVSKTK-UHFFFAOYSA-N -1 0 224.212 1.327 50 0 BDAARM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000001702633 170243027 /nfs/dbraw/zinc/24/30/27/170243027.db2.gz YUBBGLSAFZJOMD-JTQLQIEISA-N -1 0 237.255 1.428 50 0 BDAARM CCOC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000248266290 170258831 /nfs/dbraw/zinc/25/88/31/170258831.db2.gz FAFFYFMLKGDSEQ-ZKCHVHJHSA-N -1 0 200.234 1.441 50 0 BDAARM CCOC(=O)c1c(C)nc(-c2ccco2)[n-]c1=O ZINC000012505713 170288275 /nfs/dbraw/zinc/28/82/75/170288275.db2.gz NSYFRVLJBBNYHB-UHFFFAOYSA-N -1 0 248.238 1.515 50 0 BDAARM CCOC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100103354 170288980 /nfs/dbraw/zinc/28/89/80/170288980.db2.gz IGIHLDXSSGANGR-UHFFFAOYSA-N -1 0 247.250 1.421 50 0 BDAARM CCOC(=O)c1cnc(C(F)(F)F)[n-]c1=O ZINC000016158477 170301534 /nfs/dbraw/zinc/30/15/34/170301534.db2.gz QTKCIBZWYLMGRS-UHFFFAOYSA-N -1 0 236.149 1.378 50 0 BDAARM CCOC(=O)c1oc(C(=O)OCC)c(O)c1[O-] ZINC000000132981 170309554 /nfs/dbraw/zinc/30/95/54/170309554.db2.gz JGCMPUKYPRCPRE-UHFFFAOYSA-N -1 0 244.199 1.044 50 0 BDAARM CCOCC(=O)Nc1ccccc1C(=O)[O-] ZINC000002057617 170349423 /nfs/dbraw/zinc/34/94/23/170349423.db2.gz XKVKVJDQIUCNMA-UHFFFAOYSA-N -1 0 223.228 1.360 50 0 BDAARM Cc1cccc([N-]S(=O)(=O)c2cccnc2)n1 ZINC000096408026 411710419 /nfs/dbraw/zinc/71/04/19/411710419.db2.gz GHAUWHLYBMSPGW-UHFFFAOYSA-N -1 0 249.295 1.586 50 0 BDAARM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000019487803 171249245 /nfs/dbraw/zinc/24/92/45/171249245.db2.gz ZGNBKHDSWBUSTG-NKWVEPMBSA-N -1 0 217.290 1.019 50 0 BDAARM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000001576208 171373963 /nfs/dbraw/zinc/37/39/63/171373963.db2.gz KCQBCDKSKWGCEK-GXSJLCMTSA-N -1 0 235.283 1.916 50 0 BDAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCO1)C(=O)[O-] ZINC000050959542 171398949 /nfs/dbraw/zinc/39/89/49/171398949.db2.gz LGGVWDHSBIKDOX-AEJSXWLSSA-N -1 0 243.303 1.171 50 0 BDAARM CCc1nc(C(=O)[O-])nn1-c1ccccc1F ZINC000036879355 171948194 /nfs/dbraw/zinc/94/81/94/171948194.db2.gz SHPQOEGKCZGHBN-UHFFFAOYSA-N -1 0 235.218 1.667 50 0 BDAARM CCn1c(C)cc(C([O-])=CS(C)(=O)=O)c1C ZINC000047958944 172134797 /nfs/dbraw/zinc/13/47/97/172134797.db2.gz ZVSFLPFMXBEYBX-UHFFFAOYSA-N -1 0 243.328 1.352 50 0 BDAARM CCn1nc(CNc2ccc(C)cc2)[n-]c1=O ZINC000065363266 172249753 /nfs/dbraw/zinc/24/97/53/172249753.db2.gz AROGLQRCKWVZLI-UHFFFAOYSA-N -1 0 232.287 1.512 50 0 BDAARM CN(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000041138272 172361363 /nfs/dbraw/zinc/36/13/63/172361363.db2.gz DYOHNPJQFOFSFK-UHFFFAOYSA-N -1 0 221.256 1.406 50 0 BDAARM CN(Cc1ccccc1)C(=O)N1CC(C(=O)[O-])C1 ZINC000090033609 172868565 /nfs/dbraw/zinc/86/85/65/172868565.db2.gz ASXSLHMNIFLPBG-UHFFFAOYSA-N -1 0 248.282 1.255 50 0 BDAARM COC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000062716032 173846285 /nfs/dbraw/zinc/84/62/85/173846285.db2.gz WBLOOBQTXIVXKV-UHFFFAOYSA-N -1 0 237.642 1.968 50 0 BDAARM COC(=O)c1ccccc1NC(=O)/C=C\C(=O)[O-] ZINC000031719246 173899454 /nfs/dbraw/zinc/89/94/54/173899454.db2.gz DAPLTIRLFKBRQA-SREVYHEPSA-N -1 0 249.222 1.053 50 0 BDAARM COCCOc1cc(N)c(C(=O)[O-])cc1OC ZINC000009468895 174367821 /nfs/dbraw/zinc/36/78/21/174367821.db2.gz HITVTTWDAMHBTQ-UHFFFAOYSA-N -1 0 241.243 1.001 50 0 BDAARM COCc1nc2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000011735087 174645109 /nfs/dbraw/zinc/64/51/09/174645109.db2.gz FNSUBWQYDLVZDR-QMMMGPOBSA-N -1 0 234.255 1.828 50 0 BDAARM COc1cc(C(=O)[O-])cc2c1O[C@H](C)C2 ZINC000007978521 174949064 /nfs/dbraw/zinc/94/90/64/174949064.db2.gz FNGZHLBOFSICNM-ZCFIWIBFSA-N -1 0 208.213 1.717 50 0 BDAARM COc1cc(N)c(C(=O)[O-])cc1OC(F)F ZINC000037289811 174996077 /nfs/dbraw/zinc/99/60/77/174996077.db2.gz NMVWLHHXAMIXCH-UHFFFAOYSA-N -1 0 233.170 1.577 50 0 BDAARM COc1cc(N)cc(CCC(=O)[O-])c1OC ZINC000036559124 174996327 /nfs/dbraw/zinc/99/63/27/174996327.db2.gz DWOJIEHUWQDXGP-UHFFFAOYSA-N -1 0 225.244 1.303 50 0 biogenic,in-vitro BDAARM COc1ccc(-c2nnsc2C(=O)[O-])cc1 ZINC000020438957 175042449 /nfs/dbraw/zinc/04/24/49/175042449.db2.gz YUHQKIIRZUXIOT-UHFFFAOYSA-N -1 0 236.252 1.912 50 0 BDAARM COc1ccc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000083305310 175064654 /nfs/dbraw/zinc/06/46/54/175064654.db2.gz OXWGOGDDBVOKAB-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM COc1ccc(C)cc1Nc1nncc(=O)[n-]1 ZINC000008739574 175079544 /nfs/dbraw/zinc/07/95/44/175079544.db2.gz PLRPEHPRPWCAQS-UHFFFAOYSA-N -1 0 232.243 1.638 50 0 BDAARM COc1ccc(Cl)cc1[C@H]1OC(=O)[N-]C1=O ZINC000027863856 175122845 /nfs/dbraw/zinc/12/28/45/175122845.db2.gz UXSMKNBVXKFWCJ-MRVPVSSYSA-N -1 0 241.630 1.656 50 0 BDAARM COc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000112572 175140117 /nfs/dbraw/zinc/14/01/17/175140117.db2.gz JIKAEHOGWAHVIJ-MRVPVSSYSA-N -1 0 235.239 1.133 50 0 BDAARM COc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000005354364 175144754 /nfs/dbraw/zinc/14/47/54/175144754.db2.gz UAWFKKWESUEKCZ-ZETCQYMHSA-N -1 0 238.243 1.290 50 0 BDAARM COc1ccc(OCC(=O)[O-])cc1NC(C)=O ZINC000045930443 175172127 /nfs/dbraw/zinc/17/21/27/175172127.db2.gz ZVAFVMMGUVITSO-UHFFFAOYSA-N -1 0 239.227 1.117 50 0 BDAARM COc1ccc2c(c1)c(C=O)c(C(=O)[O-])n2C ZINC000008417073 175218318 /nfs/dbraw/zinc/21/83/18/175218318.db2.gz JCHYYYMUOBZKKB-UHFFFAOYSA-N -1 0 233.223 1.698 50 0 biogenic BDAARM COc1cccc(-c2ccn(CC(=O)[O-])n2)c1 ZINC000004997849 175235159 /nfs/dbraw/zinc/23/51/59/175235159.db2.gz CXJNSEPTHUTCMS-UHFFFAOYSA-N -1 0 232.239 1.643 50 0 BDAARM COc1cccc(-n2cc(C(=O)[O-])cn2)c1 ZINC000019737091 175238194 /nfs/dbraw/zinc/23/81/94/175238194.db2.gz LPLVTYKZVAPTED-UHFFFAOYSA-N -1 0 218.212 1.579 50 0 BDAARM COc1cccc([C@H]2OC(=O)[N-]C2=O)c1OC ZINC000027872732 175296933 /nfs/dbraw/zinc/29/69/33/175296933.db2.gz VQPAZJCWUISDIP-SECBINFHSA-N -1 0 237.211 1.011 50 0 BDAARM COc1cccc2c1C[C@H](C(=O)[O-])CC2 ZINC000005227860 175303157 /nfs/dbraw/zinc/30/31/57/175303157.db2.gz VOAFGTBETRJDPU-SECBINFHSA-N -1 0 206.241 1.885 50 0 BDAARM COc1ccccc1Cc1n[n-]c(=S)o1 ZINC000036723683 175334524 /nfs/dbraw/zinc/33/45/24/175334524.db2.gz MWIJIUYGQXPJFC-UHFFFAOYSA-N -1 0 222.269 1.958 50 0 BDAARM COc1ccccc1[C@H]1OC(=O)C[C@@H]1C(=O)[O-] ZINC000000132592 175355125 /nfs/dbraw/zinc/35/51/25/175355125.db2.gz LMMNYYZCVYAOOF-GZMMTYOYSA-N -1 0 236.223 1.384 50 0 BDAARM CS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000000154240 175436593 /nfs/dbraw/zinc/43/65/93/175436593.db2.gz UDUXYCSLRYYQNS-QPJJXVBHSA-N -1 0 226.253 1.188 50 0 BDAARM C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000037410235 175834341 /nfs/dbraw/zinc/83/43/41/175834341.db2.gz UPQBDPRMHCKPHK-SECBINFHSA-N -1 0 247.294 1.307 50 0 BDAARM C[C@@H](c1ccccc1)n1c([O-])cc(=O)[nH]c1=O ZINC000106119991 176020356 /nfs/dbraw/zinc/02/03/56/176020356.db2.gz KCWHBIDDXMOGPH-QMMMGPOBSA-N -1 0 232.239 1.216 50 0 BDAARM C[C@@H]1CC(=O)Nc2cc(C(=O)[O-])ccc2N1 ZINC000037461750 176049870 /nfs/dbraw/zinc/04/98/70/176049870.db2.gz CQUCHADCYAWTPQ-ZCFIWIBFSA-N -1 0 220.228 1.527 50 0 BDAARM C[C@@H]1CC(C)(C)NC(=S)N1CCC(=O)[O-] ZINC000019737441 176052696 /nfs/dbraw/zinc/05/26/96/176052696.db2.gz QDDYBETUOMEEBR-SSDOTTSWSA-N -1 0 230.333 1.208 50 0 BDAARM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000002583057 176159608 /nfs/dbraw/zinc/15/96/08/176159608.db2.gz HBXAVWDHOQFJAH-HTQZYQBOSA-N -1 0 229.276 1.717 50 0 BDAARM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000039941245 176159661 /nfs/dbraw/zinc/15/96/61/176159661.db2.gz IFPZGYNNPYYDGA-BDAKNGLRSA-N -1 0 243.303 1.964 50 0 BDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000062912940 176528534 /nfs/dbraw/zinc/52/85/34/176528534.db2.gz FFTXYJSSNUKPPE-GXFFZTMASA-N -1 0 237.299 1.666 50 0 BDAARM C[C@H](Nc1ncnc2sccc21)C(=O)[O-] ZINC000057214315 176941223 /nfs/dbraw/zinc/94/12/23/176941223.db2.gz QYLZMRKXDHONMV-YFKPBYRVSA-N -1 0 223.257 1.576 50 0 BDAARM C[C@H]1CCCN(C(=S)SCC(=O)[O-])C1 ZINC000003440535 177096674 /nfs/dbraw/zinc/09/66/74/177096674.db2.gz MVHAGEYWNWUNDP-ZETCQYMHSA-N -1 0 233.358 1.821 50 0 BDAARM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000004202439 177222554 /nfs/dbraw/zinc/22/25/54/177222554.db2.gz ZFQQTPBWJCJGSV-DTWKUNHWSA-N -1 0 243.303 1.964 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716410 177340925 /nfs/dbraw/zinc/34/09/25/177340925.db2.gz YRFMVAXFNKFRJS-KWQFWETISA-N -1 0 233.267 1.657 50 0 BDAARM Cc1c(Cl)cccc1N(C=O)CC(=O)[O-] ZINC000004542408 177600810 /nfs/dbraw/zinc/60/08/10/177600810.db2.gz CVPOKUIHZYQGAA-UHFFFAOYSA-N -1 0 227.647 1.696 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCNc2ccccc21 ZINC000386601646 487874620 /nfs/dbraw/zinc/87/46/20/487874620.db2.gz UXNQFIBYQCZMGP-RKDXNWHRSA-N -1 0 246.266 1.166 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643862 487926501 /nfs/dbraw/zinc/92/65/01/487926501.db2.gz LFBPYQQWKUKPCS-SFYZADRCSA-N -1 0 227.304 1.648 50 0 BDAARM Cn1ncc(-c2cccc3c2OCC3)c1C(=O)[O-] ZINC000534638532 323157095 /nfs/dbraw/zinc/15/70/95/323157095.db2.gz VAKDPPYTFFIDBI-UHFFFAOYSA-N -1 0 244.250 1.720 50 0 BDAARM O=C([O-])c1cc(Br)cn2ncnc12 ZINC000307260528 323948720 /nfs/dbraw/zinc/94/87/20/323948720.db2.gz SUBAUVTYKQBKDD-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM Cc1[nH]c(C(=O)[O-])c(C)c1CNNC(C)C ZINC000536950900 323955283 /nfs/dbraw/zinc/95/52/83/323955283.db2.gz NKODWAYDCRABMO-UHFFFAOYSA-N -1 0 225.292 1.332 50 0 BDAARM CC/C=C(/C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091293144 488040670 /nfs/dbraw/zinc/04/06/70/488040670.db2.gz KANMQQCCGJCMSM-FWAPLPHYSA-N -1 0 241.287 1.045 50 0 BDAARM Cc1nsc(N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000083647475 491162396 /nfs/dbraw/zinc/16/23/96/491162396.db2.gz YKESLBVDMHXDOC-RXMQYKEDSA-N -1 0 215.278 1.003 50 0 BDAARM C/C=C/C=C\C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000228152310 518516670 /nfs/dbraw/zinc/51/66/70/518516670.db2.gz FAEVXYYRZQPSAM-RPOJTNFVSA-N -1 0 223.272 1.488 50 0 BDAARM O=C([O-])C[C@@H](n1ccnc1)C(F)(F)F ZINC000062757411 527627784 /nfs/dbraw/zinc/62/77/84/527627784.db2.gz RYJWYVIXGBZFTF-RXMQYKEDSA-N -1 0 208.139 1.461 50 0 BDAARM CC(C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719936985 566281987 /nfs/dbraw/zinc/28/19/87/566281987.db2.gz ASSSMQLKODVFDC-UHFFFAOYSA-N -1 0 214.246 1.436 50 0 BDAARM O=C([O-])c1cnc(NC(=O)C2CCCC2)s1 ZINC000719945039 566282225 /nfs/dbraw/zinc/28/22/25/566282225.db2.gz GPNCXEQROPKLMQ-UHFFFAOYSA-N -1 0 240.284 1.970 50 0 BDAARM O=C([O-])c1cccc(C=Cc2nccc(=O)[nH]2)c1 ZINC000126451888 592724445 /nfs/dbraw/zinc/72/44/45/592724445.db2.gz JIZNZNQAXUOPKK-SNAWJCMRSA-N -1 0 242.234 1.639 50 0 BDAARM O=C([O-])/C=C/c1ccncc1Br ZINC000082294924 634202375 /nfs/dbraw/zinc/20/23/75/634202375.db2.gz MFOGFLTZMUQQDC-OWOJBTEDSA-N -1 0 228.045 1.942 50 0 BDAARM O=C([O-])[C@H]1COc2c(F)cc(F)cc2C1 ZINC000082966899 644398509 /nfs/dbraw/zinc/39/85/09/644398509.db2.gz ARCSVLRWXYYGNH-ZCFIWIBFSA-N -1 0 214.167 1.601 50 0 BDAARM C[C@@H]1[C@@H](O)CC[C@]1(C(=O)[O-])c1ccccc1 ZINC000004011441 711697735 /nfs/dbraw/zinc/69/77/35/711697735.db2.gz METRELNUPXWZHY-SUZMYJTESA-N -1 0 220.268 1.800 50 0 BDAARM CC(C)(F)C(=O)c1nc(C(=O)[O-])cs1 ZINC000757121350 711463148 /nfs/dbraw/zinc/46/31/48/711463148.db2.gz ALFUUWKFGQDIHF-UHFFFAOYSA-N -1 0 217.221 1.772 50 0 BDAARM O=Cc1c(Cl)cncc1N1CC[C@H]1C(=O)[O-] ZINC000725345804 711664093 /nfs/dbraw/zinc/66/40/93/711664093.db2.gz ZTOHAZJBTXPPKW-QMMMGPOBSA-N -1 0 240.646 1.211 50 0 BDAARM C[C@@]1(CNc2nccnc2C(=O)[O-])CCCO1 ZINC000094812819 958314663 /nfs/dbraw/zinc/31/46/63/958314663.db2.gz FNCQUZIEKYONTI-NSHDSACASA-N -1 0 237.259 1.156 50 0 BDAARM CCc1c(C)nn(C)c1NC(=O)CCC(=O)[O-] ZINC001529180615 990336795 /nfs/dbraw/zinc/33/67/95/990336795.db2.gz FMMOZUAUVJEYMW-UHFFFAOYSA-N -1 0 239.275 1.094 50 0 BDAARM Cc1ccsc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062117490 187322419 /nfs/dbraw/zinc/32/24/19/187322419.db2.gz JVYYUABDMRQNDL-MRVPVSSYSA-N -1 0 239.296 1.603 50 0 BDAARM Cc1cc(F)cc2c1S(=O)(=O)[N-]C2=O ZINC000074942441 178080967 /nfs/dbraw/zinc/08/09/67/178080967.db2.gz CHVWSACHVSYRPT-UHFFFAOYSA-N -1 0 215.205 1.141 50 0 BDAARM Cc1cc(Nc2ccccc2C(=O)[O-])nc(N)n1 ZINC000034776424 178193344 /nfs/dbraw/zinc/19/33/44/178193344.db2.gz BKXWVFXDTYNXHF-UHFFFAOYSA-N -1 0 244.254 1.809 50 0 BDAARM Cc1cc(O)c(C(=O)c2cccs2)c(=O)n1C ZINC000006556518 178195053 /nfs/dbraw/zinc/19/50/53/178195053.db2.gz KMKPPPBBQUEYCO-UHFFFAOYSA-N -1 0 249.291 1.692 50 0 BDAARM Cc1cc(=O)c2cc(C(=O)[O-])ccc2[nH]1 ZINC000008737827 178198780 /nfs/dbraw/zinc/19/87/80/178198780.db2.gz ITVASGAVWSKXAT-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 biogenic BDAARM Cc1cc(=O)n(-c2nc3ccccc3[nH]2)[n-]1 ZINC000100125494 178200482 /nfs/dbraw/zinc/20/04/82/178200482.db2.gz OUQGOPKPXOVKDA-UHFFFAOYSA-N -1 0 214.228 1.763 50 0 BDAARM Cc1ccc([C@H](O)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000170598003 361775652 /nfs/dbraw/zinc/77/56/52/361775652.db2.gz UORJSGANYOWVEB-GMSGAONNSA-N -1 0 239.227 1.657 50 0 BDAARM Cc1nn2c([n-]1)nc(-c1ccc(C)cc1)cc2=O ZINC000100420957 178317313 /nfs/dbraw/zinc/31/73/13/178317313.db2.gz WXGASQQPBLUCSK-UHFFFAOYSA-N -1 0 240.266 1.701 50 0 BDAARM Cc1ccc(-c2ccc(=O)n(CC(=O)[O-])n2)cc1 ZINC000003029001 178322671 /nfs/dbraw/zinc/32/26/71/178322671.db2.gz NRQCCMISIYBLRT-UHFFFAOYSA-N -1 0 244.250 1.303 50 0 BDAARM Cc1ccc(-c2nc(=O)c(C)n[n-]2)cc1 ZINC000012336380 178333507 /nfs/dbraw/zinc/33/35/07/178333507.db2.gz CNLVCGMKLBNXPI-UHFFFAOYSA-N -1 0 201.229 1.449 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc(C)c(C)c1 ZINC000008804404 178350093 /nfs/dbraw/zinc/35/00/93/178350093.db2.gz ZZNMRJYFSRJEJR-UHFFFAOYSA-N -1 0 231.255 1.891 50 0 BDAARM O=C([O-])c1cccc(Oc2ncccn2)c1 ZINC000000168142 342678964 /nfs/dbraw/zinc/67/89/64/342678964.db2.gz HDKBPBOMOPYWKQ-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)N1Cc1ccc(F)cc1 ZINC000000266788 342681580 /nfs/dbraw/zinc/68/15/80/342681580.db2.gz HVGUBDIPIWRNTI-JTQLQIEISA-N -1 0 237.230 1.401 50 0 biogenic BDAARM Cc1csc(NC(=O)CCC(=O)[O-])n1 ZINC000000313982 342682981 /nfs/dbraw/zinc/68/29/81/342682981.db2.gz ISEHUORHAZEGRU-UHFFFAOYSA-N -1 0 214.246 1.255 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H]2c3ccccc3C(=O)N21 ZINC000000329121 342683373 /nfs/dbraw/zinc/68/33/73/342683373.db2.gz IXPPKDOOVXQPGI-PSASIEDQSA-N -1 0 235.264 1.341 50 0 BDAARM Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000000392819 342685980 /nfs/dbraw/zinc/68/59/80/342685980.db2.gz RQSXRGSPGHZKFT-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 BDAARM CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000000399447 342686542 /nfs/dbraw/zinc/68/65/42/342686542.db2.gz HLORMWAKCPDIPU-SNVBAGLBSA-N -1 0 241.674 1.472 50 0 BDAARM CCc1cc2c(CC(=O)[O-])cc(=O)oc2cc1O ZINC000000408767 342686954 /nfs/dbraw/zinc/68/69/54/342686954.db2.gz OIXIDDWJPGGZOK-UHFFFAOYSA-N -1 0 248.234 1.688 50 0 BDAARM C[C@H](/N=c1\sc2ccccc2n1C)C(=O)[O-] ZINC000000408943 342687095 /nfs/dbraw/zinc/68/70/95/342687095.db2.gz OMWVRRYSTZHATK-VCKOUUQGSA-N -1 0 236.296 1.614 50 0 BDAARM C[C@H](C(=O)[O-])[C@H]1Sc2ccccc2NC1=O ZINC000000712162 342692028 /nfs/dbraw/zinc/69/20/28/342692028.db2.gz ZHJBCDJUOASXOM-IMTBSYHQSA-N -1 0 237.280 1.820 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC000001420821 342700465 /nfs/dbraw/zinc/70/04/65/342700465.db2.gz SKEXQIJIXQSFRX-QMMMGPOBSA-N -1 0 229.276 1.718 50 0 BDAARM O=C([O-])[C@]1(O)CC(=O)CC[C@@H]1c1ccccc1 ZINC000001630449 342706557 /nfs/dbraw/zinc/70/65/57/342706557.db2.gz GJJJBQYNYSREEH-YPMHNXCESA-N -1 0 234.251 1.339 50 0 BDAARM O=C([O-])[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000001718845 342711147 /nfs/dbraw/zinc/71/11/47/342711147.db2.gz HSRHXCGLDFNPCI-RKDXNWHRSA-N -1 0 206.197 1.375 50 0 BDAARM O=S(=O)([O-])c1nc2ccccc2s1 ZINC000001845473 342712927 /nfs/dbraw/zinc/71/29/27/342712927.db2.gz ZCXGMSGCBDSEOY-UHFFFAOYSA-N -1 0 215.255 1.543 50 0 BDAARM Cc1ccc2c(S(=O)(=O)[O-])ccc(O)c2n1 ZINC000002023103 342714670 /nfs/dbraw/zinc/71/46/70/342714670.db2.gz RDYCCKHYFOQHOD-UHFFFAOYSA-N -1 0 239.252 1.496 50 0 BDAARM Nc1ccc2c(cccc2OS(=O)(=O)[O-])c1 ZINC000002023395 342714754 /nfs/dbraw/zinc/71/47/54/342714754.db2.gz QSDWBOIJLZFEQP-UHFFFAOYSA-N -1 0 239.252 1.604 50 0 BDAARM CCS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000035319910 342741330 /nfs/dbraw/zinc/74/13/30/342741330.db2.gz VFWFAFAXVZZTBX-UHFFFAOYSA-N -1 0 228.269 1.320 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCc2ccccc21 ZINC000004108842 342742594 /nfs/dbraw/zinc/74/25/94/342742594.db2.gz WPBWYYHYSTYXOM-UWVGGRQHSA-N -1 0 231.251 1.296 50 0 BDAARM CC[C@@H](C(=O)[O-])n1nnc(-c2ccsc2)n1 ZINC000004218784 342744570 /nfs/dbraw/zinc/74/45/70/342744570.db2.gz SMXMWEJIWOYPQS-ZETCQYMHSA-N -1 0 238.272 1.437 50 0 BDAARM O=C([O-])c1ccccc1CN1CCOCC1 ZINC000004253574 342745566 /nfs/dbraw/zinc/74/55/66/342745566.db2.gz SSEVULBAGRUOPS-UHFFFAOYSA-N -1 0 221.256 1.217 50 0 BDAARM O=C([O-])c1ccnc(I)c1 ZINC000004352682 342747067 /nfs/dbraw/zinc/74/70/67/342747067.db2.gz FALCXGCLOUKBSP-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM CC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000002526492 342722488 /nfs/dbraw/zinc/72/24/88/342722488.db2.gz LZNLPRWDHJXBEH-UHFFFAOYSA-N -1 0 222.244 1.764 50 0 BDAARM C[C@@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1 ZINC000002526285 342722491 /nfs/dbraw/zinc/72/24/91/342722491.db2.gz QGEQKVZQPWSOTI-VIFPVBQESA-N -1 0 237.255 1.728 50 0 BDAARM Cc1c(-c2cc(C(=O)[O-])no2)cnn1C ZINC000002537762 342723345 /nfs/dbraw/zinc/72/33/45/342723345.db2.gz NYHSVIQOOWQYNS-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM O=C([O-])c1cc2nccc(C(F)(F)F)n2n1 ZINC000002537079 342723423 /nfs/dbraw/zinc/72/34/23/342723423.db2.gz BGZWQYQWZNUOJO-UHFFFAOYSA-N -1 0 231.133 1.446 50 0 BDAARM CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000306657625 361867007 /nfs/dbraw/zinc/86/70/07/361867007.db2.gz NBZXLLZSQJEBME-OCAPTIKFSA-N -1 0 229.276 1.622 50 0 BDAARM COc1cc(Br)cc(C(=O)[O-])c1O ZINC000002579285 342725468 /nfs/dbraw/zinc/72/54/68/342725468.db2.gz VQCPZBYERTTWDS-UHFFFAOYSA-N -1 0 247.044 1.862 50 0 BDAARM COc1cc(OC)cc(C(=O)CCC(=O)[O-])c1 ZINC000002580028 342725514 /nfs/dbraw/zinc/72/55/14/342725514.db2.gz PGYAYINNKXZNTH-UHFFFAOYSA-N -1 0 238.239 1.751 50 0 BDAARM O=C([O-])[C@]12CCC(=O)N1c1ccccc1S2 ZINC000002626485 342726249 /nfs/dbraw/zinc/72/62/49/342726249.db2.gz PHSHEPQIYFWWFV-LLVKDONJSA-N -1 0 235.264 1.700 50 0 BDAARM CC[C@@H](C(=O)[O-])n1cc(Br)cn1 ZINC000002732008 342726767 /nfs/dbraw/zinc/72/67/67/342726767.db2.gz YEHBONHWZVDARH-LURJTMIESA-N -1 0 233.065 1.681 50 0 BDAARM CCOc1ccccc1OCCC(=O)[O-] ZINC000003274028 342732248 /nfs/dbraw/zinc/73/22/48/342732248.db2.gz JIRXOYJJNCNFGX-UHFFFAOYSA-N -1 0 210.229 1.939 50 0 BDAARM Cc1ccc(N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000003865883 342738447 /nfs/dbraw/zinc/73/84/47/342738447.db2.gz KAWARGVFKZRXJI-VIFPVBQESA-N -1 0 222.269 1.716 50 0 BDAARM Cc1c(Br)cncc1C(=O)[O-] ZINC000003881108 342738678 /nfs/dbraw/zinc/73/86/78/342738678.db2.gz RLENEIYXKWSGEX-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM Cc1cc(C)n2[n-]c(=O)c(Br)c2n1 ZINC000004810745 342752567 /nfs/dbraw/zinc/75/25/67/342752567.db2.gz SPPBIAXRTZOZSY-UHFFFAOYSA-N -1 0 242.076 1.402 50 0 BDAARM CC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)[O-] ZINC000004819999 342752783 /nfs/dbraw/zinc/75/27/83/342752783.db2.gz AQZIIFZIPSTRAE-LURJTMIESA-N -1 0 228.273 1.034 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000004943151 342754688 /nfs/dbraw/zinc/75/46/88/342754688.db2.gz AEXWTPJOQWLAFH-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccccc1F ZINC000004943150 342754746 /nfs/dbraw/zinc/75/47/46/342754746.db2.gz HOCYRMQMIPAWLX-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM CC(C)(C)OC(=O)N(CCC(=O)[O-])C1CC1 ZINC000005066769 342757516 /nfs/dbraw/zinc/75/75/16/342757516.db2.gz FQUYVRWUCMVXMR-UHFFFAOYSA-N -1 0 229.276 1.861 50 0 BDAARM CC(=O)N/C(=C\c1cccs1)C(=O)[O-] ZINC000005151050 342759071 /nfs/dbraw/zinc/75/90/71/342759071.db2.gz GIYLBBHMKLRLOF-YVMONPNESA-N -1 0 211.242 1.310 50 0 BDAARM O=c1c2ccccc2[n-]c(=S)n1CCCO ZINC000006506986 342778975 /nfs/dbraw/zinc/77/89/75/342778975.db2.gz QGSCELNVXTZYSJ-UHFFFAOYSA-N -1 0 236.296 1.441 50 0 BDAARM Cc1ccc2oc(=O)n(CCCC(=O)[O-])c2c1 ZINC000006679779 342780965 /nfs/dbraw/zinc/78/09/65/342780965.db2.gz DMCYPLWZIAPHLA-UHFFFAOYSA-N -1 0 235.239 1.768 50 0 BDAARM O=C([O-])[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000006731705 342781637 /nfs/dbraw/zinc/78/16/37/342781637.db2.gz FQJZEDBSHBNUMD-PHDIDXHHSA-N -1 0 212.167 1.819 50 0 BDAARM CC[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000007070005 342788305 /nfs/dbraw/zinc/78/83/05/342788305.db2.gz KOISFQPSDTYGKX-JTQLQIEISA-N -1 0 219.240 1.506 50 0 BDAARM O=C([O-])c1ccc(=O)n(Cc2ccc(F)cc2)c1 ZINC000008769002 342804674 /nfs/dbraw/zinc/80/46/74/342804674.db2.gz SCCIZPNWNADCEC-UHFFFAOYSA-N -1 0 247.225 1.734 50 0 BDAARM Cc1ccc2c(=O)cc(C(=O)[O-])oc2c1 ZINC000011567736 342841576 /nfs/dbraw/zinc/84/15/76/342841576.db2.gz AMRJCTATLOBKQV-UHFFFAOYSA-N -1 0 204.181 1.800 50 0 BDAARM O=C([O-])c1ccccc1OC1CCOCC1 ZINC000012370456 342850367 /nfs/dbraw/zinc/85/03/67/342850367.db2.gz AVRDARROMNUMER-UHFFFAOYSA-N -1 0 222.240 1.943 50 0 BDAARM O=C([O-])c1cnc(-c2cccs2)nc1 ZINC000012370787 342850459 /nfs/dbraw/zinc/85/04/59/342850459.db2.gz SJJLOOUOVNRKLF-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM CC(C)c1ccc(/C=C2\NC(=O)[N-]C2=O)cc1 ZINC000012410472 342851868 /nfs/dbraw/zinc/85/18/68/342851868.db2.gz BURKMABBGWIRER-XFFZJAGNSA-N -1 0 230.267 1.990 50 0 BDAARM Cc1c(C)[n+]([O-])cn1[C@H](C(=O)[O-])C(C)C ZINC000004350251 342854846 /nfs/dbraw/zinc/85/48/46/342854846.db2.gz IUGXUMKFTUPOKV-VIFPVBQESA-N -1 0 212.249 1.020 50 0 BDAARM CC(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000011889784 342844040 /nfs/dbraw/zinc/84/40/40/342844040.db2.gz OPJHQXJQYXRMGN-VIFPVBQESA-N -1 0 201.266 1.258 50 0 biogenic,in-vitro BDAARM O=C([O-])c1ccc(CNC(=O)C2CC2)cc1 ZINC000013092395 342863722 /nfs/dbraw/zinc/86/37/22/342863722.db2.gz WPVWHTHTHMMAIA-UHFFFAOYSA-N -1 0 219.240 1.411 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000012896167 342860470 /nfs/dbraw/zinc/86/04/70/342860470.db2.gz CTBRLZFVUAVGFO-NSHDSACASA-N -1 0 245.278 1.613 50 0 BDAARM Nc1cc(-c2ccccc2)nn1CC(=O)[O-] ZINC000016769949 342915480 /nfs/dbraw/zinc/91/54/80/342915480.db2.gz WNFHTBGHJPWRNB-UHFFFAOYSA-N -1 0 217.228 1.217 50 0 BDAARM CCCc1cc(=O)n2nc(SC)[n-]c2n1 ZINC000016995075 342918677 /nfs/dbraw/zinc/91/86/77/342918677.db2.gz COBSSWKSULKTFU-UHFFFAOYSA-N -1 0 224.289 1.504 50 0 BDAARM O=C([O-])[C@@H]1N=NC(c2ccc(F)cc2)=CN1O ZINC000005673217 346877677 /nfs/dbraw/zinc/87/76/77/346877677.db2.gz BCYUMUIPNSOCTF-SECBINFHSA-N -1 0 237.190 1.692 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000019258954 342944386 /nfs/dbraw/zinc/94/43/86/342944386.db2.gz CJFSZWJZSGREJQ-LURJTMIESA-N -1 0 241.193 1.402 50 0 BDAARM CCc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000019413304 342948245 /nfs/dbraw/zinc/94/82/45/342948245.db2.gz LNZBVBAFRSDMAX-LBPRGKRZSA-N -1 0 247.294 1.938 50 0 BDAARM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)[O-] ZINC000019506181 342950092 /nfs/dbraw/zinc/95/00/92/342950092.db2.gz ZVKYKDYNVWTJKF-ZETCQYMHSA-N -1 0 231.317 1.409 50 0 BDAARM C[C@@H](C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000019726371 342955029 /nfs/dbraw/zinc/95/50/29/342955029.db2.gz REEHPTZXDPTHNZ-SSDOTTSWSA-N -1 0 208.213 1.646 50 0 BDAARM Cn1ccnc1CCc1ccccc1C(=O)[O-] ZINC000019735530 342955435 /nfs/dbraw/zinc/95/54/35/342955435.db2.gz XMTXOHVYRUQZIY-UHFFFAOYSA-N -1 0 230.267 1.904 50 0 BDAARM COc1ccc(Cl)cc1NCC(=O)[O-] ZINC000020154807 342972707 /nfs/dbraw/zinc/97/27/07/342972707.db2.gz NXAKHKLNBVSWBW-UHFFFAOYSA-N -1 0 215.636 1.845 50 0 BDAARM CC(C)(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000020205527 342976521 /nfs/dbraw/zinc/97/65/21/342976521.db2.gz AZQYXNXHQXQBJR-UHFFFAOYSA-N -1 0 227.304 1.746 50 0 BDAARM CC(C)C(=O)Nc1nc(C(=O)[O-])cs1 ZINC000020332283 342982303 /nfs/dbraw/zinc/98/23/03/342982303.db2.gz YRPSGBQFMYQIMZ-UHFFFAOYSA-N -1 0 214.246 1.436 50 0 BDAARM O=C([O-])c1nc(-c2ccccn2)cs1 ZINC000020444530 342985760 /nfs/dbraw/zinc/98/57/60/342985760.db2.gz SQXPZNRYQFUOOJ-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=C([O-])c1ccc(CN2CCCC2=O)o1 ZINC000022220668 343044817 /nfs/dbraw/zinc/04/48/17/343044817.db2.gz DUNDBXVGDUZOKT-UHFFFAOYSA-N -1 0 209.201 1.100 50 0 BDAARM CC(C)(C)OC(=O)N1C([O-])=CC(=O)CC1(C)C ZINC000584880075 343080445 /nfs/dbraw/zinc/08/04/45/343080445.db2.gz GMSOKQZFTCRPDW-UHFFFAOYSA-N -1 0 241.287 1.892 50 0 BDAARM Cc1ncc(Br)c(C(=O)[O-])n1 ZINC000000081639 187244570 /nfs/dbraw/zinc/24/45/70/187244570.db2.gz MDERWSRHRJUWNS-UHFFFAOYSA-N -1 0 217.022 1.246 50 0 BDAARM CC[C@H](CCC[C@@H]1CCNC(=O)N1)CC(=O)[O-] ZINC000000199470 187243995 /nfs/dbraw/zinc/24/39/95/187243995.db2.gz HHANQANOVUZMLJ-NXEZZACHSA-N -1 0 242.319 1.729 50 0 BDAARM CC1(C)S[C@@H](c2cccnc2)N[C@H]1C(=O)[O-] ZINC000002562016 187246339 /nfs/dbraw/zinc/24/63/39/187246339.db2.gz WFIBNIODPWJRHK-IUCAKERBSA-N -1 0 238.312 1.648 50 0 BDAARM O=C([O-])C(F)(Br)Br ZINC000004329292 187246758 /nfs/dbraw/zinc/24/67/58/187246758.db2.gz NWIYDZBYJAJLNC-UHFFFAOYSA-N -1 0 235.834 1.484 50 0 BDAARM CC(=O)OCc1ccc(/C=C/C(=O)[O-])o1 ZINC000002504895 187245201 /nfs/dbraw/zinc/24/52/01/187245201.db2.gz HYGANIWUSDOXIM-SNAWJCMRSA-N -1 0 210.185 1.441 50 0 BDAARM O=C1NC(=O)C(=Cc2cccc(O)c2)S1 ZINC000012341775 187250853 /nfs/dbraw/zinc/25/08/53/187250853.db2.gz IKLKVFXCODJJRX-VMPITWQZSA-N -1 0 221.237 1.716 50 0 BDAARM Cc1ccc2c(c1)[C@H](C(=O)[O-])CC(=O)N2 ZINC000034925580 343280263 /nfs/dbraw/zinc/28/02/63/343280263.db2.gz JFIPUEDLUPIYIA-MRVPVSSYSA-N -1 0 205.213 1.505 50 0 BDAARM CC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000019414835 187251986 /nfs/dbraw/zinc/25/19/86/187251986.db2.gz HFYNMUOIGHFOET-UHFFFAOYSA-N -1 0 213.620 1.997 50 0 BDAARM CCSc1nc(O)c(CC(=O)[O-])s1 ZINC000034927045 343280860 /nfs/dbraw/zinc/28/08/60/343280860.db2.gz YTOGGNPWISOTTN-SCSAIBSYSA-N -1 0 219.287 1.212 50 0 BDAARM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000034961650 343281956 /nfs/dbraw/zinc/28/19/56/343281956.db2.gz CJHDNODBCUENAN-UHFFFAOYSA-N -1 0 248.687 1.832 50 0 BDAARM 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/nfs/dbraw/zinc/59/95/34/343599534.db2.gz KCXMSZGXMLZXLO-UHFFFAOYSA-N -1 0 234.284 1.039 50 0 BDAARM CC(C)(C)c1nnc2ccc(C(=O)[O-])cn21 ZINC000052125398 187271094 /nfs/dbraw/zinc/27/10/94/187271094.db2.gz PSOVSGGWCPIFAD-UHFFFAOYSA-N -1 0 219.244 1.725 50 0 BDAARM Cc1c(C)c(N2C[C@@H](C(=O)[O-])CC2=O)ccc1O ZINC000065395666 187273919 /nfs/dbraw/zinc/27/39/19/187273919.db2.gz NSVWTTBZURORJS-VIFPVBQESA-N -1 0 249.266 1.447 50 0 BDAARM CC1=NN(C(=O)/C=C/C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000000529644 346981269 /nfs/dbraw/zinc/98/12/69/346981269.db2.gz LECZORFHRYQZHD-XNPJLODASA-N -1 0 248.238 1.570 50 0 BDAARM CC(C)[C@H](C)N(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000097017652 187289664 /nfs/dbraw/zinc/28/96/64/187289664.db2.gz YDDICTCWMBQXHC-LSJOCFKGSA-N -1 0 239.315 1.743 50 0 BDAARM CC(=O)Nc1ccc2[nH]c(C(=O)[O-])cc(=O)c2c1 ZINC000097757467 187289698 /nfs/dbraw/zinc/28/96/98/187289698.db2.gz ZUSOWMAQQPFCEF-UHFFFAOYSA-N -1 0 246.222 1.185 50 0 BDAARM CCN1C(=O)CC[C@]2(C(=O)[O-])CCCC=C12 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/nfs/dbraw/zinc/16/15/60/346161560.db2.gz OBWQRHAIALRLKB-SECBINFHSA-N -1 0 235.264 1.611 50 0 BDAARM Cc1cccc(-n2nncc2CC(=O)[O-])c1 ZINC000011888163 179002103 /nfs/dbraw/zinc/00/21/03/179002103.db2.gz KYTUBWIXJTYGGR-UHFFFAOYSA-N -1 0 217.228 1.203 50 0 BDAARM CCO[P@](=O)(CC(=O)[O-])c1ccccc1 ZINC000000187080 346401761 /nfs/dbraw/zinc/40/17/61/346401761.db2.gz HBANCDWRBXDLPH-OAHLLOKOSA-N -1 0 228.184 1.711 50 0 BDAARM Cc1cccc(Cn2cc(C(=O)[O-])nn2)c1 ZINC000050213497 179109058 /nfs/dbraw/zinc/10/90/58/179109058.db2.gz UFVOMOLETAXULP-UHFFFAOYSA-N -1 0 217.228 1.333 50 0 BDAARM CCCCCCNc1nc(=O)c(C)n[n-]1 ZINC000005009476 346609476 /nfs/dbraw/zinc/60/94/76/346609476.db2.gz NQZLUOWWOBDAMO-UHFFFAOYSA-N -1 0 210.281 1.466 50 0 BDAARM CC(C)CN1C(=O)c2cccn2C[C@H]1C(=O)[O-] ZINC000169676398 346768141 /nfs/dbraw/zinc/76/81/41/346768141.db2.gz UDQDROKCBSOBNP-JTQLQIEISA-N -1 0 236.271 1.053 50 0 BDAARM Cc1ccccc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588400 179245734 /nfs/dbraw/zinc/24/57/34/179245734.db2.gz WBWLKORICDLRHP-UHFFFAOYSA-N -1 0 233.267 1.684 50 0 BDAARM CSc1nn(Cc2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000194575133 347563338 /nfs/dbraw/zinc/56/33/38/347563338.db2.gz FJZHBKYOTWURMK-UHFFFAOYSA-N -1 0 249.339 1.958 50 0 BDAARM Cc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000102667 179331545 /nfs/dbraw/zinc/33/15/45/179331545.db2.gz QZTWUCKRQBPLEB-NXEZZACHSA-N -1 0 223.297 1.783 50 0 BDAARM Cc1ccn(-c2ccccc2CC(=O)[O-])n1 ZINC000067804780 179398674 /nfs/dbraw/zinc/39/86/74/179398674.db2.gz DUVFPTUYRXQMSS-UHFFFAOYSA-N -1 0 216.240 1.808 50 0 BDAARM Cc1ccsc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000097228547 179535661 /nfs/dbraw/zinc/53/56/61/179535661.db2.gz PRFAVMWJSPYVHU-UHFFFAOYSA-N -1 0 241.312 1.897 50 0 BDAARM Cc1cnc2cc(C(=O)[O-])nn2c1C(F)(F)F ZINC000223251577 179657685 /nfs/dbraw/zinc/65/76/85/179657685.db2.gz FKJOHJWOOSUSGH-UHFFFAOYSA-N -1 0 245.160 1.755 50 0 BDAARM Cc1ccc(F)c(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000000305828 190969431 /nfs/dbraw/zinc/96/94/31/190969431.db2.gz 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BDAARM Cc1nc2ccccn2c1/C=C/C(=O)[O-] ZINC000031973101 180105263 /nfs/dbraw/zinc/10/52/63/180105263.db2.gz LTEJNIMUSXXRQJ-AATRIKPKSA-N -1 0 202.213 1.741 50 0 BDAARM O=C([O-])/C=C/C(=O)NCc1cccs1 ZINC000012368587 350208102 /nfs/dbraw/zinc/20/81/02/350208102.db2.gz NZEAPUCKLFNTCN-ONEGZZNKSA-N -1 0 211.242 1.005 50 0 BDAARM O=C([O-])[C@H]1C(=O)NC[C@@H]1c1ccccc1Cl ZINC000040449443 350364841 /nfs/dbraw/zinc/36/48/41/350364841.db2.gz MLVZUUPFXGUZTA-VXNVDRBHSA-N -1 0 239.658 1.254 50 0 BDAARM CC(C)(C)OC(=O)NC1CC(CC(=O)[O-])C1 ZINC000097446512 350704530 /nfs/dbraw/zinc/70/45/30/350704530.db2.gz FITPVQKCXOGZGO-UHFFFAOYSA-N -1 0 229.276 1.764 50 0 BDAARM CC(C)(CC(=O)[O-])CC(=O)N1CCCC1 ZINC000004690058 191121346 /nfs/dbraw/zinc/12/13/46/191121346.db2.gz ABBXVCZAZPYZKA-UHFFFAOYSA-N -1 0 213.277 1.500 50 0 BDAARM Cc1onc(-c2ccncc2)c1C(=O)[O-] ZINC000004354347 180552383 /nfs/dbraw/zinc/55/23/83/180552383.db2.gz WHOBCXXYJKABST-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM 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O=[S@]([O-])c1cnn(Cc2ccccc2)c1 ZINC000675059788 538485318 /nfs/dbraw/zinc/48/53/18/538485318.db2.gz MRPGWPJYPGRZSF-UHFFFAOYSA-N -1 0 222.269 1.512 50 0 BDAARM O=c1[nH]c2ccc([S@](=O)[O-])cc2s1 ZINC000675062551 538488499 /nfs/dbraw/zinc/48/84/99/538488499.db2.gz XBIBJPKRNPCTGK-UHFFFAOYSA-N -1 0 215.255 1.583 50 0 BDAARM CCn1nc(C)cc1-c1cnc(C(=O)[O-])nc1 ZINC000675070368 538500848 /nfs/dbraw/zinc/50/08/48/538500848.db2.gz VKLPXPZDTAXHEM-UHFFFAOYSA-N -1 0 232.243 1.367 50 0 BDAARM O=c1ccc2cc([S@@](=O)[O-])ccc2o1 ZINC000125980799 538527558 /nfs/dbraw/zinc/52/75/58/538527558.db2.gz PIDRKFADXPPONH-UHFFFAOYSA-N -1 0 210.210 1.374 50 0 BDAARM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CC(=O)[O-] ZINC000252523000 363587156 /nfs/dbraw/zinc/58/71/56/363587156.db2.gz BPZCEEJRYFYWHQ-UHIISALHSA-N -1 0 249.310 1.922 50 0 BDAARM Cc1noc(C)c1C(=O)NC1(CC(=O)[O-])CC1 ZINC000398262826 357882128 /nfs/dbraw/zinc/88/21/28/357882128.db2.gz FSFROZPBYZHSDL-UHFFFAOYSA-N -1 0 238.243 1.029 50 0 BDAARM O=c1[nH]c([O-])c(C2CCCCC2)c(=O)[nH]1 ZINC000019535504 358020993 /nfs/dbraw/zinc/02/09/93/358020993.db2.gz XPFQNUZSVPIAMU-UHFFFAOYSA-N -1 0 210.233 1.229 50 0 BDAARM CC(C)(C)OC(=O)N1CC=C(C(=O)[O-])C1 ZINC000584655912 358308442 /nfs/dbraw/zinc/30/84/42/358308442.db2.gz HBXVLQNYPMSTEN-UHFFFAOYSA-N -1 0 213.233 1.248 50 0 BDAARM O=c1cc(-c2ccccc2)nc2cc[n-]n21 ZINC000006829698 360950345 /nfs/dbraw/zinc/95/03/45/360950345.db2.gz PFLMKFMAYGGFGP-UHFFFAOYSA-N -1 0 211.224 1.690 50 0 BDAARM COc1cccc(C(C)N=Nc2nnn[n-]2)c1 ZINC000252597074 363982365 /nfs/dbraw/zinc/98/23/65/363982365.db2.gz COVSQXMIXGZBHM-UHFFFAOYSA-N -1 0 232.247 1.044 50 0 BDAARM CC(C)N1C=C(C(=O)[O-])C(=O)C2=CCC=C[C@@H]21 ZINC000102243201 367961667 /nfs/dbraw/zinc/96/16/67/367961667.db2.gz MLYWEMXZEYVBLB-KOLCDFICSA-N -1 0 233.267 1.359 50 0 BDAARM N[C@@H](c1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000072194805 181564267 /nfs/dbraw/zinc/56/42/67/181564267.db2.gz GTGDSILNVYAYQQ-ZETCQYMHSA-N -1 0 219.162 1.947 50 0 BDAARM Nc1nc(=S)[n-]c(N2CCc3ccccc32)n1 ZINC000020533725 371292857 /nfs/dbraw/zinc/29/28/57/371292857.db2.gz UOSHGKWEFGYCEC-UHFFFAOYSA-N -1 0 245.311 1.811 50 0 BDAARM Nc1nc(Br)ccc1C(=O)[O-] ZINC000072482096 181778455 /nfs/dbraw/zinc/77/84/55/181778455.db2.gz FGOAIGICMNFDHG-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM Nc1nnc(-c2ccc(C(=O)[O-])cc2)s1 ZINC000000106364 181812616 /nfs/dbraw/zinc/81/26/16/181812616.db2.gz LQHNMNCRCCSJQW-UHFFFAOYSA-N -1 0 221.241 1.486 50 0 in-vitro BDAARM CCCCNC(=O)C1=C([O-])CC(C)(C)CC1=O ZINC000155370660 168837959 /nfs/dbraw/zinc/83/79/59/168837959.db2.gz OPXAUEQQOULPQG-UHFFFAOYSA-N -1 0 239.315 1.477 50 0 BDAARM O=C([N-]C1CC1)C(F)(F)C(F)(F)Cl ZINC000002765366 182094540 /nfs/dbraw/zinc/09/45/40/182094540.db2.gz FJVUFDDVWNFCLZ-UHFFFAOYSA-N -1 0 219.565 1.732 50 0 BDAARM O=C(NC1CC1)c1c[n-]c2c(F)cccc2c1=O ZINC000049546264 182098171 /nfs/dbraw/zinc/09/81/71/182098171.db2.gz VIWASQHCBIDIRK-UHFFFAOYSA-N -1 0 246.241 1.559 50 0 BDAARM CCSc1nnc(-c2ccccc2)c(=O)[n-]1 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ZINC000238171476 182462869 /nfs/dbraw/zinc/46/28/69/182462869.db2.gz FXUXIKXXWGEHQG-SECBINFHSA-N -1 0 249.266 1.144 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccccc1 ZINC000040162861 182506834 /nfs/dbraw/zinc/50/68/34/182506834.db2.gz DFDYQFDORBLAGV-DGCLKSJQSA-N -1 0 245.278 1.823 50 0 BDAARM O=C([O-])[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000020283779 182507787 /nfs/dbraw/zinc/50/77/87/182507787.db2.gz TXCSUIQCEFRHID-VIFPVBQESA-N -1 0 209.176 1.403 50 0 BDAARM O=C([O-])[C@H](O)c1c(F)c(F)cc(F)c1F ZINC000004290066 182528518 /nfs/dbraw/zinc/52/85/18/182528518.db2.gz HKPLPZPFEQLEFM-SSDOTTSWSA-N -1 0 224.109 1.361 50 0 BDAARM O=C([O-])[C@H]1C(=O)NC[C@@H]1c1ccc(Cl)cc1 ZINC000022782121 182530799 /nfs/dbraw/zinc/53/07/99/182530799.db2.gz UNTIWFGDNPKRDT-RKDXNWHRSA-N -1 0 239.658 1.254 50 0 BDAARM O=C([O-])[C@@]1(c2ccccc2)CC[C@H](O)C1 ZINC000000295336 182524686 /nfs/dbraw/zinc/52/46/86/182524686.db2.gz OUJQRDINJYZZNS-JQWIXIFHSA-N -1 0 206.241 1.554 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(CCNc2ccccc2)C1 ZINC000065505376 182531484 /nfs/dbraw/zinc/53/14/84/182531484.db2.gz SJQNUSPCMPKFNZ-JTQLQIEISA-N -1 0 248.282 1.032 50 0 BDAARM O=C([O-])c1cc(-n2cccc2)ccc1O ZINC000000396147 182552206 /nfs/dbraw/zinc/55/22/06/182552206.db2.gz RJOWHWZRBQBAMZ-UHFFFAOYSA-N -1 0 203.197 1.881 50 0 BDAARM O=C([O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000004205113 182554595 /nfs/dbraw/zinc/55/45/95/182554595.db2.gz QXSSNLARLMWPIB-UHFFFAOYSA-N -1 0 214.604 1.809 50 0 BDAARM O=C([O-])c1cc(I)ccn1 ZINC000000333016 182555548 /nfs/dbraw/zinc/55/55/48/182555548.db2.gz CEYJTEYGGAWURJ-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM O=C([O-])c1cc2c(Br)cccn2n1 ZINC000082046745 182558397 /nfs/dbraw/zinc/55/83/97/182558397.db2.gz HPBBNPMQZCTSEQ-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM O=C([O-])c1csc(NC[C@@H]2CCCO2)n1 ZINC000045951695 182594899 /nfs/dbraw/zinc/59/48/99/182594899.db2.gz CBLFWBWIRRPFGZ-LURJTMIESA-N -1 0 228.273 1.432 50 0 BDAARM O=C([O-])c1nnn(-c2ccccc2)c1C1CC1 ZINC000011888138 182597942 /nfs/dbraw/zinc/59/79/42/182597942.db2.gz IMCJMKXJTVDBSX-UHFFFAOYSA-N -1 0 229.239 1.843 50 0 BDAARM O=C([O-])c1ccc2c(c1)NC(=O)CCN2 ZINC000036895579 182744603 /nfs/dbraw/zinc/74/46/03/182744603.db2.gz RVEFJTNHWHRSDO-UHFFFAOYSA-N -1 0 206.201 1.139 50 0 BDAARM CCCN(CC(=O)[O-])C(=O)c1ccc(N)cc1 ZINC000044624687 169097247 /nfs/dbraw/zinc/09/72/47/169097247.db2.gz GYJXQUXJFOSZQM-UHFFFAOYSA-N -1 0 236.271 1.206 50 0 BDAARM O=c1cc([O-])[nH]c(=S)n1Cc1ccco1 ZINC000100312329 183261107 /nfs/dbraw/zinc/26/11/07/183261107.db2.gz PEWMVNQUOKSVGP-UHFFFAOYSA-N -1 0 224.241 1.665 50 0 BDAARM CCCN1C(=O)c2cc(C(=O)[O-])ccc2[C@H]1O ZINC000004991840 169185069 /nfs/dbraw/zinc/18/50/69/169185069.db2.gz YKNNCNNULDQHDW-SNVBAGLBSA-N -1 0 235.239 1.242 50 0 BDAARM CCCOCc1nc(=O)c2sccc2[n-]1 ZINC000049068578 169310674 /nfs/dbraw/zinc/31/06/74/169310674.db2.gz AAYMAVWQHZZJIU-UHFFFAOYSA-N -1 0 224.285 1.911 50 0 BDAARM CCCS(=O)(=O)[N-]c1scnc1CC ZINC000195579789 169334311 /nfs/dbraw/zinc/33/43/11/169334311.db2.gz BCNZCBDYZVYDGN-UHFFFAOYSA-N -1 0 234.346 1.857 50 0 BDAARM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])C2 ZINC000040443107 166658965 /nfs/dbraw/zinc/65/89/65/166658965.db2.gz XRDRXGVDCVQVPV-VGMNWLOBSA-N -1 0 241.287 1.859 50 0 BDAARM CC(C)(C)OC(=O)NCCCC(=O)[O-] ZINC000001640071 166661546 /nfs/dbraw/zinc/66/15/46/166661546.db2.gz HIDJWBGOQFTDLU-UHFFFAOYSA-N -1 0 203.238 1.376 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000100005567 166667761 /nfs/dbraw/zinc/66/77/61/166667761.db2.gz KLCYDBAYYYVNFM-KNVOCYPGSA-N -1 0 215.249 1.374 50 0 BDAARM O=C([O-])C[C@@H]1Sc2ccccc2NC1=O ZINC000000058250 383822096 /nfs/dbraw/zinc/82/20/96/383822096.db2.gz QWXLTZQRYJBZQT-QMMMGPOBSA-N -1 0 223.253 1.574 50 0 BDAARM O=C([O-])COc1cccc(Br)c1 ZINC000000084162 383825032 /nfs/dbraw/zinc/82/50/32/383825032.db2.gz CRKQPDCSWOJBJY-UHFFFAOYSA-N -1 0 231.045 1.913 50 0 BDAARM O=C([O-])C[C@H](O)c1nc2ccccc2[nH]1 ZINC000000099554 383826413 /nfs/dbraw/zinc/82/64/13/383826413.db2.gz JXNVLFRNSKOUIE-QMMMGPOBSA-N -1 0 206.201 1.071 50 0 BDAARM O=C([O-])CCC(=O)N1CCc2cc(F)ccc21 ZINC000000154275 383835673 /nfs/dbraw/zinc/83/56/73/383835673.db2.gz ZDCJLZIXLLVVRJ-UHFFFAOYSA-N -1 0 237.230 1.580 50 0 BDAARM S=c1[n-]nc(COc2ccccc2)o1 ZINC000000260737 383848325 /nfs/dbraw/zinc/84/83/25/383848325.db2.gz DFWHZFJXCNJMNX-UHFFFAOYSA-N -1 0 208.242 1.937 50 0 BDAARM CC(=O)c1ccc(-n2nnc(C(=O)[O-])c2C)cc1 ZINC000000261225 383848635 /nfs/dbraw/zinc/84/86/35/383848635.db2.gz UYXXIWQULHTIHN-UHFFFAOYSA-N -1 0 245.238 1.477 50 0 BDAARM CC(=O)Cc1ccccc1OCC(=O)[O-] ZINC000000283831 383850201 /nfs/dbraw/zinc/85/02/01/383850201.db2.gz JNEYTRRUROUDSN-UHFFFAOYSA-N -1 0 208.213 1.282 50 0 BDAARM CS(=O)(=O)[N-]c1cccc2nsnc21 ZINC000000797104 383881688 /nfs/dbraw/zinc/88/16/88/383881688.db2.gz KISNNDNUYSENTC-UHFFFAOYSA-N -1 0 229.286 1.063 50 0 BDAARM C[C@H](NC(=S)c1ccccc1)C(=O)[O-] ZINC000000330103 383853427 /nfs/dbraw/zinc/85/34/27/383853427.db2.gz AOJKAGLIOPXBSP-ZETCQYMHSA-N -1 0 209.270 1.425 50 0 BDAARM O=C([O-])Cc1n[nH]c2ccc(Cl)cc21 ZINC000035569844 383859554 /nfs/dbraw/zinc/85/95/54/383859554.db2.gz OIQMRQZOCUNAIN-UHFFFAOYSA-N -1 0 210.620 1.843 50 0 BDAARM O=C([O-])CCC(=O)O[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000000500156 383871570 /nfs/dbraw/zinc/87/15/70/383871570.db2.gz JSLHQOQJMVNMBF-YIZRAAEISA-N -1 0 212.245 1.583 50 0 BDAARM O=C([O-])CCNC(=O)OCc1ccccc1 ZINC000001758363 383935445 /nfs/dbraw/zinc/93/54/45/383935445.db2.gz GEVGRLPYQJTKKS-UHFFFAOYSA-N -1 0 223.228 1.388 50 0 BDAARM O=C([O-])CSc1ncnc2sccc21 ZINC000002633020 383980590 /nfs/dbraw/zinc/98/05/90/383980590.db2.gz DXFKYUFRYZVSAN-UHFFFAOYSA-N -1 0 226.282 1.868 50 0 BDAARM CCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002741777 383988041 /nfs/dbraw/zinc/98/80/41/383988041.db2.gz PSXSDJFHXYJJFU-UWVGGRQHSA-N -1 0 227.304 1.794 50 0 BDAARM O=C([O-])CCCC(=O)Nc1cccnc1 ZINC000000253733 383988689 /nfs/dbraw/zinc/98/86/89/383988689.db2.gz HATOWUPYUNOOAM-UHFFFAOYSA-N -1 0 208.217 1.275 50 0 BDAARM O=C([O-])CCCC(=O)NCCc1ccccc1 ZINC000002143646 383950798 /nfs/dbraw/zinc/95/07/98/383950798.db2.gz YDQWOZQRRHREID-UHFFFAOYSA-N -1 0 235.283 1.600 50 0 BDAARM O=C([O-])COCc1nc2ccccc2s1 ZINC000002455577 383965044 /nfs/dbraw/zinc/96/50/44/383965044.db2.gz RQFMQUWXKKGYMC-UHFFFAOYSA-N -1 0 223.253 1.898 50 0 BDAARM Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)[O-] ZINC000002549544 383974113 /nfs/dbraw/zinc/97/41/13/383974113.db2.gz CJXYLBTXKQWNPH-RXMQYKEDSA-N -1 0 222.166 1.856 50 0 BDAARM O=C([O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000004202805 384044108 /nfs/dbraw/zinc/04/41/08/384044108.db2.gz ZYXIOXNUKBMPQJ-GFCCVEGCSA-N -1 0 235.283 1.362 50 0 BDAARM O=Cc1cccn1-c1ccccc1C(=O)[O-] ZINC000004237683 384050654 /nfs/dbraw/zinc/05/06/54/384050654.db2.gz NVHZUSLVNBVTHK-UHFFFAOYSA-N -1 0 215.208 1.988 50 0 BDAARM O=C([O-])CNC(=O)c1ccc(-n2cccc2)cc1 ZINC000003888797 384033836 /nfs/dbraw/zinc/03/38/36/384033836.db2.gz FIKPYUNKXLFIAT-UHFFFAOYSA-N -1 0 244.250 1.292 50 0 BDAARM 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241.262 1.368 50 0 BDAARM O=C([O-])CN(C(=O)[C@H]1CC12CC2)c1ccccc1 ZINC000263222790 135339804 /nfs/dbraw/zinc/33/98/04/135339804.db2.gz PLELFIINXUXZHT-LLVKDONJSA-N -1 0 245.278 1.904 50 0 BDAARM C[C@@H](CN(C)c1ncnc2[nH]ccc21)C(=O)[O-] ZINC000263560862 135360556 /nfs/dbraw/zinc/36/05/56/135360556.db2.gz RKHGSJPCIRVHGR-ZETCQYMHSA-N -1 0 234.259 1.115 50 0 BDAARM CCC[C@@H]1CN([C@H](CC)C(=O)[O-])CCO1 ZINC000263576483 135361205 /nfs/dbraw/zinc/36/12/05/135361205.db2.gz QMVCAWHYAIHVBV-NXEZZACHSA-N -1 0 215.293 1.351 50 0 BDAARM O=C([O-])[C@@H](Sc1nc[nH]n1)c1ccccc1 ZINC000005731474 397869388 /nfs/dbraw/zinc/86/93/88/397869388.db2.gz QZYOJXIOCFFONL-QMMMGPOBSA-N -1 0 235.268 1.723 50 0 BDAARM O=C([O-])Cc1ccccc1N1CCCC1 ZINC000020440434 397965059 /nfs/dbraw/zinc/96/50/59/397965059.db2.gz ZPEJYWXWFCHLRH-UHFFFAOYSA-N -1 0 205.257 1.914 50 0 BDAARM CCC[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)C(=O)[O-] ZINC000134404834 397951483 /nfs/dbraw/zinc/95/14/83/397951483.db2.gz COYXTDZYVGDKHY-UTLUCORTSA-N -1 0 225.288 1.402 50 0 BDAARM O=Cc1c2cc(F)ccc2[nH]c1C(=O)[O-] ZINC000004384211 397924154 /nfs/dbraw/zinc/92/41/54/397924154.db2.gz CIIBOABFLAUHGQ-UHFFFAOYSA-N -1 0 207.160 1.818 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccccn1 ZINC000066032866 398087741 /nfs/dbraw/zinc/08/77/41/398087741.db2.gz KVHUHEDENOYWPU-SKDRFNHKSA-N -1 0 246.266 1.218 50 0 BDAARM Cc1cnc(C(=O)[O-])c(Br)c1 ZINC000066322851 398090617 /nfs/dbraw/zinc/09/06/17/398090617.db2.gz BAFGEDISONEYIX-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000031904100 166231064 /nfs/dbraw/zinc/23/10/64/166231064.db2.gz PHFXABMKWYRDPN-DAXSKMNVSA-N -1 0 249.222 1.385 50 0 BDAARM CC(C)(C)CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000038029633 166552052 /nfs/dbraw/zinc/55/20/52/166552052.db2.gz KVBUAVBNICMFJA-UHFFFAOYSA-N -1 0 239.275 1.342 50 0 BDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C(C)(C)F ZINC000002583182 166667480 /nfs/dbraw/zinc/66/74/80/166667480.db2.gz OFCALSFZTOBZCI-ZCFIWIBFSA-N -1 0 235.255 1.712 50 0 BDAARM CC(C)C(=O)Nc1nnc2c(C(=O)[O-])cccn12 ZINC000040449916 166731465 /nfs/dbraw/zinc/73/14/65/166731465.db2.gz SKTTZDUGDUAANC-UHFFFAOYSA-N -1 0 248.242 1.022 50 0 BDAARM CC(C)[C@@H](C(=O)[O-])n1nnc2ccccc2c1=O ZINC000003883080 167347057 /nfs/dbraw/zinc/34/70/57/167347057.db2.gz CIDCLWSSRNYIAH-JTQLQIEISA-N -1 0 247.254 1.073 50 0 BDAARM CCCn1c2ccccc2c([O-])c(C(N)=O)c1=O ZINC000102230892 410945259 /nfs/dbraw/zinc/94/52/59/410945259.db2.gz FIDYWXQWXCKBCL-UHFFFAOYSA-N -1 0 246.266 1.216 50 0 BDAARM CC(C)n1nnc2cc(C(=O)[O-])ccc21 ZINC000000161662 167802533 /nfs/dbraw/zinc/80/25/33/167802533.db2.gz RUTVRAJKELSHCC-UHFFFAOYSA-N -1 0 205.217 1.710 50 0 in-vitro BDAARM CC/C=C(\C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000019518516 167830199 /nfs/dbraw/zinc/83/01/99/167830199.db2.gz REKDWRYTWKMAOI-RUDMXATFSA-N -1 0 225.288 1.666 50 0 BDAARM O=C(Nc1ccccc1)C1=C([O-])CCC1=O ZINC000101775762 411268925 /nfs/dbraw/zinc/26/89/25/411268925.db2.gz IHNPRFMLPUUXJV-UHFFFAOYSA-N -1 0 217.224 1.173 50 0 BDAARM CC1(C(=O)[O-])CCN(C(=O)C2CCCC2)CC1 ZINC000062842042 167875260 /nfs/dbraw/zinc/87/52/60/167875260.db2.gz BUQVBMMQVMFWTB-UHFFFAOYSA-N -1 0 239.315 1.890 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCCCC1 ZINC000034926384 168004519 /nfs/dbraw/zinc/00/45/19/168004519.db2.gz HSPXOWOCHHGYFT-IUCAKERBSA-N -1 0 225.288 1.356 50 0 BDAARM CCC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000096402458 168212339 /nfs/dbraw/zinc/21/23/39/168212339.db2.gz OVPREYFHQKKJKH-UHFFFAOYSA-N -1 0 221.256 1.510 50 0 BDAARM CCNc1nc(=S)[n-]c(NC(C)C)n1 ZINC000005716225 170176847 /nfs/dbraw/zinc/17/68/47/170176847.db2.gz BAAMDWUVIPLPOL-UHFFFAOYSA-N -1 0 213.310 1.786 50 0 BDAARM CCOC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000042161380 170239005 /nfs/dbraw/zinc/23/90/05/170239005.db2.gz RGLOHACYRPCUOW-SSDOTTSWSA-N -1 0 201.222 1.082 50 0 BDAARM CCOC(=O)Nc1ccc(C(=O)[O-])c(N)c1 ZINC000000394166 170243949 /nfs/dbraw/zinc/24/39/49/170243949.db2.gz FRIUTXWJAICIAF-UHFFFAOYSA-N -1 0 224.216 1.535 50 0 BDAARM CCOC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000005650632 170257323 /nfs/dbraw/zinc/25/73/23/170257323.db2.gz XGRJGTBLDJAHTL-HTQZYQBOSA-N -1 0 200.234 1.441 50 0 BDAARM CCOC(=O)C1=C([O-])c2cnccc2CC1 ZINC000091692797 170259063 /nfs/dbraw/zinc/25/90/63/170259063.db2.gz LPGAXSLNOCINCN-SECBINFHSA-N -1 0 219.240 1.390 50 0 BDAARM CCOC(=O)c1c(C)c(C)[nH]c1C(=O)[O-] ZINC000001595864 170287389 /nfs/dbraw/zinc/28/73/89/170287389.db2.gz AZOFTYGLXBYICQ-UHFFFAOYSA-N -1 0 211.217 1.506 50 0 BDAARM CCOC(=O)c1cc([O-])c2c(=O)cccc-2o1 ZINC000000132951 170290775 /nfs/dbraw/zinc/29/07/75/170290775.db2.gz ORCWNDBOHDDRSM-UHFFFAOYSA-N -1 0 234.207 1.675 50 0 BDAARM CC[C@@H](C)[C@@H](C(=O)[O-])n1c[n+]([O-])c(C)c1C ZINC000011692216 170767678 /nfs/dbraw/zinc/76/76/78/170767678.db2.gz KAYLPCMFNQZZPY-XCBNKYQSSA-N -1 0 226.276 1.410 50 0 BDAARM CC[C@H](C(=O)[O-])n1cnc(Br)n1 ZINC000223250510 171238537 /nfs/dbraw/zinc/23/85/37/171238537.db2.gz XSJSENUYLIFHEL-SCSAIBSYSA-N -1 0 234.053 1.076 50 0 BDAARM CC[C@H](NC(=O)/C=C\C(=O)[O-])c1ccccc1 ZINC000006004485 171494969 /nfs/dbraw/zinc/49/49/69/171494969.db2.gz BAEZIAZBAGGVTC-IQQGHNRFSA-N -1 0 233.267 1.895 50 0 BDAARM CC[C@H](Oc1cccc(OC)c1)C(=O)[O-] ZINC000004892625 171591063 /nfs/dbraw/zinc/59/10/63/171591063.db2.gz HIZFZJGUWJWWBZ-JTQLQIEISA-N -1 0 210.229 1.937 50 0 BDAARM CC[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000034613754 171677855 /nfs/dbraw/zinc/67/78/55/171677855.db2.gz QUJJZDFGKLKCJR-CPCISQLKSA-N -1 0 229.276 1.764 50 0 BDAARM CCN(C(=O)C1CC=CC1)[C@@H](C)C(=O)[O-] ZINC000663123522 412385807 /nfs/dbraw/zinc/38/58/07/412385807.db2.gz CIFQAFUXSAPUPG-QMMMGPOBSA-N -1 0 211.261 1.274 50 0 BDAARM CCc1cccc(C)c1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000151455 171853208 /nfs/dbraw/zinc/85/32/08/171853208.db2.gz VOEGRWXDUVMFJV-NSHDSACASA-N -1 0 247.294 1.995 50 0 BDAARM CCc1ccccc1N(C=O)CC(=O)[O-] ZINC000002519852 171883510 /nfs/dbraw/zinc/88/35/10/171883510.db2.gz UBAAKTGYWIJHGT-UHFFFAOYSA-N -1 0 207.229 1.296 50 0 BDAARM CCn1c(=N)n(CC(=O)[O-])c2ccccc21 ZINC000000239219 172130470 /nfs/dbraw/zinc/13/04/70/172130470.db2.gz BXHNFDWROQVALT-UHFFFAOYSA-N -1 0 219.244 1.027 50 0 BDAARM CCn1c(=O)c2[nH]c(C)cc2[n-]c1=S ZINC000101333010 172133843 /nfs/dbraw/zinc/13/38/43/172133843.db2.gz ACAJZIAGLCYYPP-UHFFFAOYSA-N -1 0 209.274 1.716 50 0 BDAARM CCn1nc([C@@H](C)C(=O)[O-])c2ccccc2c1=O ZINC000000295526 172249833 /nfs/dbraw/zinc/24/98/33/172249833.db2.gz XAXREQRLDORKRY-MRVPVSSYSA-N -1 0 246.266 1.605 50 0 BDAARM CN(C)c1cc(-c2cccc(C(=O)[O-])c2)ncn1 ZINC000032582072 172543648 /nfs/dbraw/zinc/54/36/48/172543648.db2.gz AFHKDXHSGIPQIQ-UHFFFAOYSA-N -1 0 243.266 1.908 50 0 BDAARM CN1CCC(=O)Nc2cc(C(=O)[O-])ccc21 ZINC000043599033 172979946 /nfs/dbraw/zinc/97/99/46/172979946.db2.gz IQORTEVXEXTVFA-UHFFFAOYSA-N -1 0 220.228 1.163 50 0 BDAARM CNC(=O)N[C@@H](CC(=O)[O-])c1ccsc1 ZINC000035588656 173291568 /nfs/dbraw/zinc/29/15/68/173291568.db2.gz XXTNCMCNGMKSTN-ZETCQYMHSA-N -1 0 228.273 1.193 50 0 BDAARM COC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000160434 173820023 /nfs/dbraw/zinc/82/00/23/173820023.db2.gz VFNNTVXOZWMVGX-RDDDGLTNSA-N -1 0 214.261 1.687 50 0 BDAARM COC(=O)C1=C([O-])c2cc(OC)ccc2C1 ZINC000039293770 173830032 /nfs/dbraw/zinc/83/00/32/173830032.db2.gz WRMZEXPQHVTWJA-JTQLQIEISA-N -1 0 220.224 1.223 50 0 BDAARM COCc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000018249834 174117486 /nfs/dbraw/zinc/11/74/86/174117486.db2.gz WMGGKXZLAROCKD-UHFFFAOYSA-N -1 0 204.229 1.426 50 0 BDAARM COCCn1cc(C(=O)[O-])c2ccccc2c1=O ZINC000072220575 174428842 /nfs/dbraw/zinc/42/88/42/174428842.db2.gz BBPYCFANIJHLGI-UHFFFAOYSA-N -1 0 247.250 1.346 50 0 BDAARM COc1cc(F)c(CCC(=O)[O-])c(F)c1 ZINC000199557114 174991737 /nfs/dbraw/zinc/99/17/37/174991737.db2.gz BRJVIDYBEXLDEU-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM COc1cc(F)ccc1-c1cnc(C(=O)[O-])cn1 ZINC000215689371 174993985 /nfs/dbraw/zinc/99/39/85/174993985.db2.gz LTMPBOFRYIGYSI-UHFFFAOYSA-N -1 0 248.213 1.990 50 0 BDAARM COc1cc(N)c(Br)cc1C(=O)[O-] ZINC000000168406 174995570 /nfs/dbraw/zinc/99/55/70/174995570.db2.gz WHXLHIGUTBQVOF-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM COc1cc2[nH]c(C(=O)[O-])cc2c(OC)c1 ZINC000002582712 175009583 /nfs/dbraw/zinc/00/95/83/175009583.db2.gz GDCKIKSQIWWVNR-UHFFFAOYSA-N -1 0 221.212 1.883 50 0 BDAARM COc1ccc(-c2cnc(C(=O)[O-])nc2)cc1 ZINC000082296543 175036324 /nfs/dbraw/zinc/03/63/24/175036324.db2.gz OELCVPLRDHDCSW-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM COc1ccc(-c2nnc(C(=O)[O-])s2)cc1 ZINC000083336189 175041726 /nfs/dbraw/zinc/04/17/26/175041726.db2.gz LLCDSMYLCXALNA-UHFFFAOYSA-N -1 0 236.252 1.912 50 0 BDAARM COc1ccc(CC(N=O)C(=O)[O-])cc1 ZINC000031777354 175046299 /nfs/dbraw/zinc/04/62/99/175046299.db2.gz GVOHBUMKCQTASR-TWGQIWQCSA-N -1 0 209.201 1.100 50 0 BDAARM COc1ccc(C(=O)[O-])cc1NC(C)=O ZINC000006262375 175064604 /nfs/dbraw/zinc/06/46/04/175064604.db2.gz AATMJTHPDWWQRU-UHFFFAOYSA-N -1 0 209.201 1.352 50 0 BDAARM COc1ccc(CCC(=O)[O-])c(F)c1F ZINC000039712924 175088499 /nfs/dbraw/zinc/08/84/99/175088499.db2.gz VSJFQXDRFFHUMO-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM COc1ccc2c(CC(=O)[O-])cc(=O)oc2c1C ZINC000001237928 175204888 /nfs/dbraw/zinc/20/48/88/175204888.db2.gz CZMSBZXWVIYCIA-UHFFFAOYSA-N -1 0 248.234 1.737 50 0 biogenic BDAARM COc1ccc2[nH]c(CCC(=O)[O-])nc2c1 ZINC000013471225 175228659 /nfs/dbraw/zinc/22/86/59/175228659.db2.gz BERQTZASCMALML-UHFFFAOYSA-N -1 0 220.228 1.589 50 0 BDAARM COc1ccc2occ(/C=C/C(=O)[O-])c(=O)c2c1 ZINC000000487988 175232187 /nfs/dbraw/zinc/23/21/87/175232187.db2.gz XDLFRPOPSPCCBJ-GORDUTHDSA-N -1 0 246.218 1.899 50 0 biogenic BDAARM COc1cccc(Cn2nnc(C(=O)[O-])c2C)c1 ZINC000050215189 175273050 /nfs/dbraw/zinc/27/30/50/175273050.db2.gz FVHZNYHBOIHKTF-UHFFFAOYSA-N -1 0 247.254 1.342 50 0 BDAARM COc1cccc(Cc2noc(C(=O)[O-])n2)c1 ZINC000040447952 175273513 /nfs/dbraw/zinc/27/35/13/175273513.db2.gz MERMAHDAPBJEKZ-UHFFFAOYSA-N -1 0 234.211 1.367 50 0 BDAARM COc1cccc2c1NC(=O)C[C@@H]2C(=O)[O-] ZINC000019088993 175303847 /nfs/dbraw/zinc/30/38/47/175303847.db2.gz PSFFRBNBXIMPJH-ZETCQYMHSA-N -1 0 221.212 1.206 50 0 BDAARM COc1ccccc1-c1cc(C(=O)[O-])n(C)n1 ZINC000009280218 175308433 /nfs/dbraw/zinc/30/84/33/175308433.db2.gz MDRJMGRQVWMWJD-UHFFFAOYSA-N -1 0 232.239 1.794 50 0 BDAARM COc1ccccc1C1=NO[C@H](C(=O)[O-])C1 ZINC000000819001 175320435 /nfs/dbraw/zinc/32/04/35/175320435.db2.gz DZQPCQZVKAAAJK-JTQLQIEISA-N -1 0 221.212 1.273 50 0 biogenic BDAARM COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)[O-] ZINC000000132590 175349811 /nfs/dbraw/zinc/34/98/11/175349811.db2.gz LMMNYYZCVYAOOF-KWQFWETISA-N -1 0 236.223 1.384 50 0 BDAARM COc1ccccc1[C@@H]1[C@H](C(=O)[O-])CC(=O)N1C ZINC000040162857 175350316 /nfs/dbraw/zinc/35/03/16/175350316.db2.gz PIIHILKJSXOOPP-BXKDBHETSA-N -1 0 249.266 1.299 50 0 BDAARM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002389504 175725640 /nfs/dbraw/zinc/72/56/40/175725640.db2.gz GDQRNRYMFXDGMS-LURJTMIESA-N -1 0 203.238 1.232 50 0 BDAARM C[C@@H](OC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000156383 176001736 /nfs/dbraw/zinc/00/17/36/176001736.db2.gz HYIHYWQSOXTJFS-SSDOTTSWSA-N -1 0 209.201 1.708 50 0 BDAARM C[C@@H](c1ccccc1)[C@H]1[NH2+][C@H](C(=O)[O-])CS1 ZINC000003913334 176022675 /nfs/dbraw/zinc/02/26/75/176022675.db2.gz XTLKRSWKWLNJDS-LSJOCFKGSA-N -1 0 237.324 1.906 50 0 BDAARM C[C@@H]1CCCC[C@H]1NC(=O)CSCC(=O)[O-] ZINC000003444813 176086672 /nfs/dbraw/zinc/08/66/72/176086672.db2.gz IUAOYMXHFMJGSV-RKDXNWHRSA-N -1 0 245.344 1.499 50 0 BDAARM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000040546658 176221399 /nfs/dbraw/zinc/22/13/99/176221399.db2.gz BSAYEGDCKUEPNE-HTQZYQBOSA-N -1 0 229.276 1.859 50 0 BDAARM C[C@@H]1Oc2ccc(C(=O)[O-])cc2NC1=O ZINC000022995896 176486281 /nfs/dbraw/zinc/48/62/81/176486281.db2.gz JDFHPMWWJCAFQJ-YFKPBYRVSA-N -1 0 207.185 1.104 50 0 BDAARM C[C@H](C(=O)[O-])n1c(=O)oc2ccccc21 ZINC000006677773 176587199 /nfs/dbraw/zinc/58/71/99/176587199.db2.gz UUBVLNODMJCOTD-ZCFIWIBFSA-N -1 0 207.185 1.240 50 0 BDAARM C[C@H](C(=O)[O-])n1sc2ccccc2c1=O ZINC000006919195 176588162 /nfs/dbraw/zinc/58/81/62/176588162.db2.gz OMDISURAFHPIHS-ZCFIWIBFSA-N -1 0 223.253 1.709 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000216067325 176601168 /nfs/dbraw/zinc/60/11/68/176601168.db2.gz RBXBZCVQGXQQDT-HBNTYKKESA-N -1 0 241.331 1.992 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)Nc1ccccc1 ZINC000005920526 176601855 /nfs/dbraw/zinc/60/18/55/176601855.db2.gz ALSCTJBRKVCRAF-MRVPVSSYSA-N -1 0 222.244 1.671 50 0 BDAARM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000003865909 176817793 /nfs/dbraw/zinc/81/77/93/176817793.db2.gz SSHYAHPMLSAGGG-LURJTMIESA-N -1 0 227.647 1.543 50 0 BDAARM C[C@H](c1ccc(C(=O)[O-])o1)N1CCOCC1 ZINC000000800686 177032679 /nfs/dbraw/zinc/03/26/79/177032679.db2.gz UNORHGWUEXZZQU-MRVPVSSYSA-N -1 0 225.244 1.371 50 0 BDAARM C[C@H]1CC(C)(C)NC(=S)N1CCC(=O)[O-] ZINC000019737442 177064237 /nfs/dbraw/zinc/06/42/37/177064237.db2.gz QDDYBETUOMEEBR-ZETCQYMHSA-N -1 0 230.333 1.208 50 0 BDAARM C[C@H]1CCC[C@H](OCC(=O)N(C)CC(=O)[O-])C1 ZINC000237595661 177138599 /nfs/dbraw/zinc/13/85/99/177138599.db2.gz HIPYYPQUEPAWOX-UWVGGRQHSA-N -1 0 243.303 1.125 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000111403445 177340251 /nfs/dbraw/zinc/34/02/51/177340251.db2.gz GMGUGHYTCXOLEX-CABZTGNLSA-N -1 0 247.294 1.700 50 0 BDAARM C[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000097018096 177376360 /nfs/dbraw/zinc/37/63/60/177376360.db2.gz UVMQIMPURICGNG-GXSJLCMTSA-N -1 0 239.315 1.888 50 0 BDAARM Cc1c(Br)cnn1CCC(=O)[O-] ZINC000002549488 177556791 /nfs/dbraw/zinc/55/67/91/177556791.db2.gz RJAQBTLQNAPMSK-UHFFFAOYSA-N -1 0 233.065 1.429 50 0 BDAARM Cc1c(CC(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000011888231 177580646 /nfs/dbraw/zinc/58/06/46/177580646.db2.gz JDLOOZRHTOVQOM-UHFFFAOYSA-N -1 0 235.218 1.342 50 0 BDAARM Cc1ccc(C)c(C[S@@](=O)CC(=O)[O-])c1 ZINC000049258545 487944689 /nfs/dbraw/zinc/94/46/89/487944689.db2.gz KASXMSVCDRAKQK-HNNXBMFYSA-N -1 0 226.297 1.637 50 0 BDAARM NC(=O)c1cncc(-c2ccc(C(=O)[O-])s2)c1 ZINC000039518520 323171918 /nfs/dbraw/zinc/17/19/18/323171918.db2.gz OCKMCIQFJKSKFI-UHFFFAOYSA-N -1 0 248.263 1.607 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2ccsc2)C1 ZINC000085006530 488120545 /nfs/dbraw/zinc/12/05/45/488120545.db2.gz LGYHRROWGFYRPZ-CBAPKCEASA-N -1 0 239.296 1.731 50 0 BDAARM COC(=O)[C@H]1CC[C@H](C(=O)[O-])C1(C)C ZINC000003172355 487481310 /nfs/dbraw/zinc/48/13/10/487481310.db2.gz GUWTYPYGDNFFPO-RNFRBKRXSA-N -1 0 200.234 1.296 50 0 BDAARM O=C([O-])CN(CC1CC1)C(=O)c1cscn1 ZINC000062353924 527606082 /nfs/dbraw/zinc/60/60/82/527606082.db2.gz HDTMNBWLTHHFAD-UHFFFAOYSA-N -1 0 240.284 1.080 50 0 BDAARM COC(=O)c1cc([S@](=O)[O-])ccc1F ZINC000675062085 566449809 /nfs/dbraw/zinc/44/98/09/566449809.db2.gz CVHIJDGPDVDAOE-UHFFFAOYSA-N -1 0 218.205 1.193 50 0 BDAARM O=C([O-])C(=O)c1cccc(OC(F)(F)F)c1 ZINC000044224904 582840611 /nfs/dbraw/zinc/84/06/11/582840611.db2.gz GPDVKROFOFQIPW-UHFFFAOYSA-N -1 0 234.129 1.853 50 0 BDAARM O=C([O-])c1ccc(Cc2ccccn2)[nH]1 ZINC000074211094 583974543 /nfs/dbraw/zinc/97/45/43/583974543.db2.gz YOLCSYHZDOHQKL-UHFFFAOYSA-N -1 0 202.213 1.699 50 0 BDAARM CCCc1c(O)n2nc(C)cc2[nH]c1=O ZINC000129037737 584907395 /nfs/dbraw/zinc/90/73/95/584907395.db2.gz NYBCLDCUWJZRFO-ZETCQYMHSA-N -1 0 207.233 1.200 50 0 BDAARM O=C([O-])C(F)(F)[C@H](O)c1ccccc1 ZINC000035975909 640173210 /nfs/dbraw/zinc/17/32/10/640173210.db2.gz LUTWVXSKIQMZHU-SSDOTTSWSA-N -1 0 202.156 1.440 50 0 BDAARM Cc1cc([N-]S(=O)(=O)NC(C)(C)C)no1 ZINC000000191176 642750435 /nfs/dbraw/zinc/75/04/35/642750435.db2.gz HIIHHEKAUYTKDT-UHFFFAOYSA-N -1 0 233.293 1.028 50 0 BDAARM Nc1nccc(Nc2ccccc2C(=O)[O-])n1 ZINC000000333609 642772018 /nfs/dbraw/zinc/77/20/18/642772018.db2.gz SOJJTFYDOCVXLS-UHFFFAOYSA-N -1 0 230.227 1.501 50 0 BDAARM COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000069553901 642877313 /nfs/dbraw/zinc/87/73/13/642877313.db2.gz RVCHQJQUXCVSBM-QMMMGPOBSA-N -1 0 247.291 1.391 50 0 BDAARM C=CCNC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000001685247 643661763 /nfs/dbraw/zinc/66/17/63/643661763.db2.gz LEBHALSQCBVOKB-ZANVPECISA-N -1 0 239.315 1.816 50 0 BDAARM C[C@@H]1[C@H](O)CC[C@]1(C(=O)[O-])c1ccccc1 ZINC000004011439 711697861 /nfs/dbraw/zinc/69/78/61/711697861.db2.gz METRELNUPXWZHY-IRUJWGPZSA-N -1 0 220.268 1.800 50 0 BDAARM Cc1nn(-c2cncnc2)c(C)c1CCC(=O)[O-] ZINC000067677247 710986274 /nfs/dbraw/zinc/98/62/74/710986274.db2.gz QKKAWOQTKVLJEX-UHFFFAOYSA-N -1 0 246.270 1.296 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@H]1c1nc(=S)[nH][nH]1 ZINC000005816939 983880459 /nfs/dbraw/zinc/88/04/59/983880459.db2.gz DYLXWYPNDHPRPQ-RITPCOANSA-N -1 0 227.289 1.826 50 0 BDAARM O=C([O-])c1c(=O)[nH]ccc1-c1ccccc1 ZINC000034374850 187321746 /nfs/dbraw/zinc/32/17/46/187321746.db2.gz IIZBOPAPJFLJBA-UHFFFAOYSA-N -1 0 215.208 1.740 50 0 BDAARM Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)no1 ZINC000075403654 178145593 /nfs/dbraw/zinc/14/55/93/178145593.db2.gz AKBTUZWSTIORSK-SFYZADRCSA-N -1 0 238.243 1.422 50 0 BDAARM Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)no1 ZINC000061721966 178146624 /nfs/dbraw/zinc/14/66/24/178146624.db2.gz PNYZQYRRJNZCSF-JGVFFNPUSA-N -1 0 238.243 1.278 50 0 BDAARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N2C)o1 ZINC000016957963 178356020 /nfs/dbraw/zinc/35/60/20/178356020.db2.gz OXVXNVSZHHRKCV-YVMONPNESA-N -1 0 206.201 1.111 50 0 BDAARM Cc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1 ZINC000000072876 178355327 /nfs/dbraw/zinc/35/53/27/178355327.db2.gz MDJFPRDVZHNPSA-RMKNXTFCSA-N -1 0 202.213 1.175 50 0 BDAARM CCC(=O)Nc1ccc([S@@](=O)[O-])cc1 ZINC000202654206 538951286 /nfs/dbraw/zinc/95/12/86/538951286.db2.gz APMRSJBLSLBKBY-UHFFFAOYSA-N -1 0 213.258 1.616 50 0 BDAARM CCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000094795 342674126 /nfs/dbraw/zinc/67/41/26/342674126.db2.gz FMHDMAFJLDZEKG-UHFFFAOYSA-N -1 0 219.196 1.001 50 0 BDAARM CCc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000097756 342674415 /nfs/dbraw/zinc/67/44/15/342674415.db2.gz GYUHORVVZJAIKQ-BQYQJAHWSA-N -1 0 219.240 1.828 50 0 BDAARM Cc1sc2c(c1C)C([O-])=CS(=O)(=O)N2C ZINC000000126383 342675927 /nfs/dbraw/zinc/67/59/27/342675927.db2.gz LXRNFMSHWRSCAY-UHFFFAOYSA-N -1 0 245.325 1.327 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(F)cc2)N1 ZINC000000138370 342676676 /nfs/dbraw/zinc/67/66/76/342676676.db2.gz GPKWJQGAXZSDCF-IUCAKERBSA-N -1 0 227.260 1.614 50 0 BDAARM Cc1ccc(CNC(=O)CCC(=O)[O-])cc1 ZINC000000214489 342680336 /nfs/dbraw/zinc/68/03/36/342680336.db2.gz ZOFINSCQWDRGSZ-UHFFFAOYSA-N -1 0 221.256 1.476 50 0 BDAARM Cc1ccc2c(c1)c(C)cc(=O)n2CC(=O)[O-] ZINC000000236873 342680955 /nfs/dbraw/zinc/68/09/55/342680955.db2.gz QBRVOOBQOYKADB-UHFFFAOYSA-N -1 0 231.251 1.703 50 0 biogenic BDAARM CCOc1cc(C=O)ccc1OCC(=O)[O-] ZINC000000308841 342682800 /nfs/dbraw/zinc/68/28/00/342682800.db2.gz BALVFSVIEQRSSY-UHFFFAOYSA-N -1 0 224.212 1.361 50 0 BDAARM COc1ccc2[nH]c(C(=O)[O-])c(NC(C)=O)c2c1 ZINC000000326014 342683352 /nfs/dbraw/zinc/68/33/52/342683352.db2.gz CUXRQFIRNCGAIV-UHFFFAOYSA-N -1 0 248.238 1.833 50 0 BDAARM C[C@H](C(=O)[O-])c1nn(C)c(=O)c2ccccc21 ZINC000000334980 342683870 /nfs/dbraw/zinc/68/38/70/342683870.db2.gz LJHCOVCVTPGZNT-ZETCQYMHSA-N -1 0 232.239 1.122 50 0 BDAARM Cc1cccc(C(=O)N(CC(=O)[O-])CC2CC2)n1 ZINC000036885007 538961147 /nfs/dbraw/zinc/96/11/47/538961147.db2.gz OOIMLYKVQCUTGK-UHFFFAOYSA-N -1 0 248.282 1.327 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000000391235 342685840 /nfs/dbraw/zinc/68/58/40/342685840.db2.gz YQXRKJHVAUKXRN-LLVKDONJSA-N -1 0 229.276 1.861 50 0 BDAARM Cc1ccc2c(c1)C(=O)N(CCCC(=O)[O-])C2=O ZINC000000053545 342671496 /nfs/dbraw/zinc/67/14/96/342671496.db2.gz BDSMNQDETIUHRD-UHFFFAOYSA-N -1 0 247.250 1.456 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](c2cccc(O)c2)N1 ZINC000000053465 342671573 /nfs/dbraw/zinc/67/15/73/342671573.db2.gz FJKZSYINEIIGCM-BDAKNGLRSA-N -1 0 225.269 1.180 50 0 BDAARM Nc1cccc2c(O)cc(S(=O)(=O)[O-])cc12 ZINC000001641027 342706897 /nfs/dbraw/zinc/70/68/97/342706897.db2.gz GGZZISOUXJHYOY-UHFFFAOYSA-N -1 0 239.252 1.374 50 0 BDAARM C[C@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1 ZINC000001726738 342711367 /nfs/dbraw/zinc/71/13/67/342711367.db2.gz QGEQKVZQPWSOTI-SECBINFHSA-N -1 0 237.255 1.728 50 0 BDAARM CSCC[C@@H](NC(=O)c1ccco1)C(=O)[O-] ZINC000001782158 342712541 /nfs/dbraw/zinc/71/25/41/342712541.db2.gz UXLDCMMGQUCRHU-SSDOTTSWSA-N -1 0 243.284 1.216 50 0 BDAARM Cn1cc(CNc2ccc(C(=O)[O-])cc2)cn1 ZINC000020353793 342747408 /nfs/dbraw/zinc/74/74/08/342747408.db2.gz OLUYDYIEAPQIHK-UHFFFAOYSA-N -1 0 231.255 1.730 50 0 BDAARM CC[C@H](Oc1ccc(OC)cc1)C(=O)[O-] ZINC000004520668 342748542 /nfs/dbraw/zinc/74/85/42/342748542.db2.gz AQYSEMOXZAZTII-JTQLQIEISA-N -1 0 210.229 1.937 50 0 BDAARM Nc1c(F)cc(Br)cc1C(=O)[O-] ZINC000002523074 342722489 /nfs/dbraw/zinc/72/24/89/342722489.db2.gz CLJZODGTJUYULK-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000002560307 342724347 /nfs/dbraw/zinc/72/43/47/342724347.db2.gz WBTHOSZMTIPJLR-UHFFFAOYSA-N -1 0 205.135 1.986 50 0 BDAARM COc1cc(CCC(=O)[O-])cc(OC)c1 ZINC000002580665 342725613 /nfs/dbraw/zinc/72/56/13/342725613.db2.gz LMBOJOXVLORKSQ-UHFFFAOYSA-N -1 0 210.229 1.721 50 0 BDAARM CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC000002583426 342725860 /nfs/dbraw/zinc/72/58/60/342725860.db2.gz CTDIKDIZNAGMFK-SSDOTTSWSA-N -1 0 247.316 1.424 50 0 BDAARM S=c1[n-]nc([C@H]2COc3ccccc3O2)o1 ZINC000003226833 342731519 /nfs/dbraw/zinc/73/15/19/342731519.db2.gz FRTASWZYMMCPJW-MRVPVSSYSA-N -1 0 236.252 1.871 50 0 BDAARM CC(C)n1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003324552 342732459 /nfs/dbraw/zinc/73/24/59/342732459.db2.gz HIMMXXFRGQLXGJ-UHFFFAOYSA-N -1 0 232.239 1.676 50 0 BDAARM CC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)[O-] ZINC000004820000 342752802 /nfs/dbraw/zinc/75/28/02/342752802.db2.gz AQZIIFZIPSTRAE-ZCFIWIBFSA-N -1 0 228.273 1.034 50 0 BDAARM Nc1ccc(NC(=O)CCC(=O)[O-])cc1Cl ZINC000004992626 342755907 /nfs/dbraw/zinc/75/59/07/342755907.db2.gz BAVAXVWECGBYAN-UHFFFAOYSA-N -1 0 242.662 1.726 50 0 BDAARM CN(CCCS(=O)(=O)[O-])c1ccccc1 ZINC000002170376 342763296 /nfs/dbraw/zinc/76/32/96/342763296.db2.gz NFYWNYJNLDNABX-UHFFFAOYSA-N -1 0 229.301 1.401 50 0 BDAARM O=C([O-])[C@@H](Cc1ccccc1)N1CCOCC1 ZINC000005737162 342769050 /nfs/dbraw/zinc/76/90/50/342769050.db2.gz BTTLNLDCDUTMQI-GFCCVEGCSA-N -1 0 235.283 1.015 50 0 BDAARM CC[C@@H](C)[C@@H](NC(=O)N1CCCC1)C(=O)[O-] ZINC000006224183 342775362 /nfs/dbraw/zinc/77/53/62/342775362.db2.gz KTOQGKOUGRAJPY-RKDXNWHRSA-N -1 0 228.292 1.291 50 0 BDAARM C[C@@H](C(=O)[O-])n1c(=O)oc2ccccc21 ZINC000006677772 342780855 /nfs/dbraw/zinc/78/08/55/342780855.db2.gz UUBVLNODMJCOTD-LURJTMIESA-N -1 0 207.185 1.240 50 0 BDAARM O=C([O-])c1ccccc1OC[C@@H]1CCCO1 ZINC000007989013 342795363 /nfs/dbraw/zinc/79/53/63/342795363.db2.gz QXAMUAOEAIWGBI-VIFPVBQESA-N -1 0 222.240 1.943 50 0 BDAARM O=C([O-])c1ccccc1OC[C@H]1CCCO1 ZINC000007989014 342795506 /nfs/dbraw/zinc/79/55/06/342795506.db2.gz QXAMUAOEAIWGBI-SECBINFHSA-N -1 0 222.240 1.943 50 0 BDAARM Cc1ccc(NC(=O)CC(=O)[O-])cc1C ZINC000009304541 342812271 /nfs/dbraw/zinc/81/22/71/342812271.db2.gz XLVRDLIKQVALMN-UHFFFAOYSA-N -1 0 207.229 1.717 50 0 BDAARM CC(C)n1ncc2cc(C(=O)[O-])cnc21 ZINC000009596210 342821420 /nfs/dbraw/zinc/82/14/20/342821420.db2.gz CYJJAMFJIALZKJ-UHFFFAOYSA-N -1 0 205.217 1.710 50 0 BDAARM CCCn1ncc2c1nc(C)cc2C(=O)[O-] ZINC000008733284 342804133 /nfs/dbraw/zinc/80/41/33/342804133.db2.gz HPBUPBDPEMUQBS-UHFFFAOYSA-N -1 0 219.244 1.848 50 0 BDAARM Cc1c(C(=O)[O-])cnn1-c1nc2ccccc2[nH]1 ZINC000011850953 342843781 /nfs/dbraw/zinc/84/37/81/342843781.db2.gz PHNMBIXTDLCXJO-UHFFFAOYSA-N -1 0 242.238 1.755 50 0 BDAARM Cc1ccc(N2CC[C@@H](C(=O)[O-])C2=O)cc1 ZINC000011890848 342844345 /nfs/dbraw/zinc/84/43/45/342844345.db2.gz BQAYIKBVMPQAFU-SNVBAGLBSA-N -1 0 219.240 1.433 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccc(F)cc1F ZINC000012341609 342849329 /nfs/dbraw/zinc/84/93/29/342849329.db2.gz DVBSHLGHHLTWPZ-ONEGZZNKSA-N -1 0 227.166 1.544 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012368540 342850102 /nfs/dbraw/zinc/85/01/02/342850102.db2.gz LDDIEXIHIFHFJB-ONEGZZNKSA-N -1 0 249.222 1.037 50 0 BDAARM O=C([O-])c1cn(-c2ccc(F)cc2)cn1 ZINC000012404851 342851591 /nfs/dbraw/zinc/85/15/91/342851591.db2.gz SOGAKFHVIAQANZ-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccccc1 ZINC000011890829 342844198 /nfs/dbraw/zinc/84/41/98/342844198.db2.gz YQFFDJLZZJRSFG-GFCCVEGCSA-N -1 0 247.294 1.695 50 0 BDAARM Nc1c(OC(F)(F)F)cccc1C(=O)[O-] ZINC000013352595 342866453 /nfs/dbraw/zinc/86/64/53/342866453.db2.gz BQPQFVVEWXYRMH-UHFFFAOYSA-N -1 0 221.134 1.866 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccoc1 ZINC000059881234 342874174 /nfs/dbraw/zinc/87/41/74/342874174.db2.gz OFPLIEYMOAWLAE-UHFFFAOYSA-N -1 0 225.244 1.462 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000012896173 342860587 /nfs/dbraw/zinc/86/05/87/342860587.db2.gz CTBRLZFVUAVGFO-LLVKDONJSA-N -1 0 245.278 1.613 50 0 BDAARM Cn1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000015933464 342903267 /nfs/dbraw/zinc/90/32/67/342903267.db2.gz UMSNBPXXRMGAKT-BDAKNGLRSA-N -1 0 249.270 1.026 50 0 BDAARM O=C([O-])[C@H](c1ccccc1F)N1CCOCC1 ZINC000016771225 342915437 /nfs/dbraw/zinc/91/54/37/342915437.db2.gz USMNBHYRDJXRLK-NSHDSACASA-N -1 0 239.246 1.284 50 0 biogenic BDAARM Cc1ccc(C)c2c1NC(=O)[C@H]2CC(=O)[O-] ZINC000019088381 342941400 /nfs/dbraw/zinc/94/14/00/342941400.db2.gz SOSVVLLFFNVGFR-QMMMGPOBSA-N -1 0 219.240 1.814 50 0 BDAARM C[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])c1cccnc1 ZINC000237409777 398334113 /nfs/dbraw/zinc/33/41/13/398334113.db2.gz DEEFIDSIQKPVOF-ONGXEEELSA-N -1 0 248.282 1.261 50 0 BDAARM CCc1c(C(=O)[O-])nnn1Cc1ccccc1C ZINC000019910369 342962929 /nfs/dbraw/zinc/96/29/29/342962929.db2.gz FSWWJVBRTVOWLQ-UHFFFAOYSA-N -1 0 245.282 1.895 50 0 BDAARM CC(C)CNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000019981268 342965589 /nfs/dbraw/zinc/96/55/89/342965589.db2.gz DCMBHCSWZAVBIX-SECBINFHSA-N -1 0 228.292 1.149 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)N1CCCCCC1 ZINC000019979924 342965689 /nfs/dbraw/zinc/96/56/89/342965689.db2.gz JXUXZMNYWNDZLW-JTQLQIEISA-N -1 0 240.303 1.531 50 0 BDAARM CCS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000020263251 342978888 /nfs/dbraw/zinc/97/88/88/342978888.db2.gz VMVZOLNGJGAOET-UHFFFAOYSA-N -1 0 214.242 1.178 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000020284522 342980442 /nfs/dbraw/zinc/98/04/42/342980442.db2.gz JRQWUONIXFUCPM-JTQLQIEISA-N -1 0 234.255 1.161 50 0 BDAARM O=C([O-])c1nn(CC(F)F)cc1Cl ZINC000020348885 342982675 /nfs/dbraw/zinc/98/26/75/342982675.db2.gz YOELFGBALFGCCR-UHFFFAOYSA-N -1 0 210.567 1.500 50 0 BDAARM O=c1nc[n-]c2nc(N3CCCCC3)sc21 ZINC000021774828 343020797 /nfs/dbraw/zinc/02/07/97/343020797.db2.gz WSJOLTWQVWYJMI-UHFFFAOYSA-N -1 0 236.300 1.370 50 0 BDAARM CC1(C)CNC(=O)c2c(C(=O)[O-])coc2C1 ZINC000584880223 343080850 /nfs/dbraw/zinc/08/08/50/343080850.db2.gz LYXVYRMRZCHSSF-UHFFFAOYSA-N -1 0 223.228 1.290 50 0 BDAARM CCn1ncnc1-c1ccc(C(=O)[O-])cc1 ZINC000061811306 343074425 /nfs/dbraw/zinc/07/44/25/343074425.db2.gz YVKQEMBQIYZDNG-UHFFFAOYSA-N -1 0 217.228 1.663 50 0 BDAARM O=S(=O)(c1ccc([O-])cc1)C(F)(F)F ZINC000026248347 343102694 /nfs/dbraw/zinc/10/26/94/343102694.db2.gz FGVZAVSVXFMGIK-UHFFFAOYSA-N -1 0 226.175 1.686 50 0 BDAARM O=C([O-])c1cnc(N2CCCCC2)s1 ZINC000026340343 343103561 /nfs/dbraw/zinc/10/35/61/343103561.db2.gz JIYHGZWZWANYAV-UHFFFAOYSA-N -1 0 212.274 1.832 50 0 BDAARM O=C([O-])c1csc(NC(=O)c2ccccn2)n1 ZINC000026423453 343104770 /nfs/dbraw/zinc/10/47/70/343104770.db2.gz BIUUYPCBHJBWJB-UHFFFAOYSA-N -1 0 249.251 1.489 50 0 BDAARM O=C([O-])c1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000026423641 343104832 /nfs/dbraw/zinc/10/48/32/343104832.db2.gz TUJMNQZMSQDVAR-UHFFFAOYSA-N -1 0 245.234 1.652 50 0 BDAARM Cc1cc(=O)c2cccc(F)c2n1CC(=O)[O-] ZINC000026507909 343106218 /nfs/dbraw/zinc/10/62/18/343106218.db2.gz RMGLUPAUJQLCCM-UHFFFAOYSA-N -1 0 235.214 1.534 50 0 BDAARM CC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000000093096 187243947 /nfs/dbraw/zinc/24/39/47/187243947.db2.gz LYJCGBYEVXKOST-UHFFFAOYSA-N -1 0 209.201 1.108 50 0 BDAARM CC(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000000045786 187244239 /nfs/dbraw/zinc/24/42/39/187244239.db2.gz ZFQGFRPIFLLJKF-UHFFFAOYSA-N -1 0 213.620 1.997 50 0 BDAARM CC(C)[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000000142845 187244322 /nfs/dbraw/zinc/24/43/22/187244322.db2.gz MIYQNOPLWKCHED-JTQLQIEISA-N -1 0 221.256 1.526 50 0 BDAARM Cc1cc(C(=O)[O-])nn1-c1ccccn1 ZINC000000075642 187244384 /nfs/dbraw/zinc/24/43/84/187244384.db2.gz RUCYPGJTZPSUSL-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000094129 187244435 /nfs/dbraw/zinc/24/44/35/187244435.db2.gz VLWFSWMZGGZHGD-VOTSOKGWSA-N -1 0 205.213 1.574 50 0 BDAARM CC(C)[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002555057 187246273 /nfs/dbraw/zinc/24/62/73/187246273.db2.gz XPUAXAVJMJDPDH-MRVPVSSYSA-N -1 0 231.292 1.963 50 0 BDAARM CC(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000004109926 187247364 /nfs/dbraw/zinc/24/73/64/187247364.db2.gz CQSJHKQABRHBQV-SECBINFHSA-N -1 0 230.166 1.654 50 0 BDAARM CC(C)CO[C@H]1C(=O)CCC[C@@H]1CC(=O)[O-] ZINC000004839465 187247475 /nfs/dbraw/zinc/24/74/75/187247475.db2.gz ZGLOOFZDWDJHCH-BXKDBHETSA-N -1 0 228.288 1.872 50 0 BDAARM O=S(=O)([O-])c1cc(O)c2cc(O)ccc2c1 ZINC000005252429 187247720 /nfs/dbraw/zinc/24/77/20/187247720.db2.gz FBYMBFPXCCVIRA-UHFFFAOYSA-N -1 0 240.236 1.498 50 0 BDAARM O=C([O-])c1n[nH]c2c1COc1ccccc1-2 ZINC000005135278 187248080 /nfs/dbraw/zinc/24/80/80/187248080.db2.gz LCCZBCRICIYZCV-UHFFFAOYSA-N -1 0 216.196 1.667 50 0 BDAARM O=C([O-])c1ccc(F)c(-n2cccn2)c1 ZINC000006679771 187249027 /nfs/dbraw/zinc/24/90/27/187249027.db2.gz GYWPRLUVEXQBRL-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM CC(C)(C)c1ccc(S(=O)(=O)[O-])cn1 ZINC000002023642 187245077 /nfs/dbraw/zinc/24/50/77/187245077.db2.gz XEVUIGKUJOBERU-UHFFFAOYSA-N -1 0 215.274 1.626 50 0 BDAARM Cc1cc(C)cc(NC(=O)/C=C\C(=O)[O-])c1 ZINC000031777357 343224317 /nfs/dbraw/zinc/22/43/17/343224317.db2.gz RMPBFVIFASQTTQ-ARJAWSKDSA-N -1 0 219.240 1.883 50 0 BDAARM O=C([O-])c1cc(CCc2ccccc2)[nH]n1 ZINC000013526610 187251234 /nfs/dbraw/zinc/25/12/34/187251234.db2.gz HHEBXMNODWRUEV-UHFFFAOYSA-N -1 0 216.240 1.893 50 0 in-vivo BDAARM COc1ccc2[nH]c(CCCC(=O)[O-])nc2c1 ZINC000019737146 187252743 /nfs/dbraw/zinc/25/27/43/187252743.db2.gz AARADTVSJJIALE-UHFFFAOYSA-N -1 0 234.255 1.979 50 0 BDAARM COc1c(F)cc(CCC(=O)[O-])cc1F ZINC000034214340 343266641 /nfs/dbraw/zinc/26/66/41/343266641.db2.gz WOUCCZYVNXELFX-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM Nc1nnc([C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000000618752 343269976 /nfs/dbraw/zinc/26/99/76/343269976.db2.gz OCGXJHZVJKDUMY-PHDIDXHHSA-N -1 0 227.289 1.479 50 0 BDAARM COc1ccc([C@H](O)[C@@H](C)C(=O)[O-])cc1 ZINC000034410547 343270310 /nfs/dbraw/zinc/27/03/10/343270310.db2.gz YNFBEQICUMUBDQ-GMSGAONNSA-N -1 0 210.229 1.449 50 0 BDAARM O=c1[n-]c(CNc2ccc(Cl)cc2)n[nH]1 ZINC000036559157 343320335 /nfs/dbraw/zinc/32/03/35/343320335.db2.gz WOMGHBFPIPEDFU-UHFFFAOYSA-N -1 0 224.651 1.364 50 0 BDAARM Cc1ccc(F)c(-n2cc(O)c(C(=O)[O-])n2)c1 ZINC000036721615 343322866 /nfs/dbraw/zinc/32/28/66/343322866.db2.gz NZTKUJCXIAFBFM-UHFFFAOYSA-N -1 0 236.202 1.724 50 0 BDAARM O=C([O-])c1csc(NC(=O)c2cccnc2)n1 ZINC000020332459 187254199 /nfs/dbraw/zinc/25/41/99/187254199.db2.gz XNVNQDQKVYSPDQ-UHFFFAOYSA-N -1 0 249.251 1.489 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N([C@H]2CCc3ccccc32)C1 ZINC000036878591 343326299 /nfs/dbraw/zinc/32/62/99/343326299.db2.gz DBSIFUPIEIQHLR-JQWIXIFHSA-N -1 0 245.278 1.607 50 0 BDAARM Nc1ccc(C(=O)NCCC(=O)[O-])c(Cl)c1 ZINC000036047761 343307249 /nfs/dbraw/zinc/30/72/49/343307249.db2.gz HYKDWQHRQYSVTB-UHFFFAOYSA-N -1 0 242.662 1.127 50 0 BDAARM CC(C)(C)OC(=O)N1CCC=C(C(=O)[O-])C1 ZINC000038529091 343376085 /nfs/dbraw/zinc/37/60/85/343376085.db2.gz KKHQYUPHBPYITH-UHFFFAOYSA-N -1 0 227.260 1.638 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000040162935 343397363 /nfs/dbraw/zinc/39/73/63/343397363.db2.gz AIULLCUFHFFGCU-ZYHUDNBSSA-N -1 0 246.266 1.218 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000040503317 343405497 /nfs/dbraw/zinc/40/54/97/343405497.db2.gz LCFAZZGZAOLUNV-RXMQYKEDSA-N -1 0 241.165 1.234 50 0 BDAARM Cc1ccc(NC(=O)N(C)C)c(C(=O)[O-])c1 ZINC000040558889 343406829 /nfs/dbraw/zinc/40/68/29/343406829.db2.gz ABCLDHGRVRRQTH-UHFFFAOYSA-N -1 0 222.244 1.787 50 0 BDAARM Cc1ccc(CCC(=O)NCC(=O)[O-])cc1 ZINC000033433521 178525241 /nfs/dbraw/zinc/52/52/41/178525241.db2.gz GAFYDSBFZUJAIL-UHFFFAOYSA-N -1 0 221.256 1.128 50 0 BDAARM CC(C)(C)OC(=O)CC(C)(C)C(=O)[O-] ZINC000075602540 187262281 /nfs/dbraw/zinc/26/22/81/187262281.db2.gz BCUIGUVXRMEZDV-UHFFFAOYSA-N -1 0 202.250 1.829 50 0 BDAARM CC(C)(C)OC(=O)N1C(=O)CC[C@H]1CC(=O)[O-] ZINC000043763904 343483361 /nfs/dbraw/zinc/48/33/61/343483361.db2.gz LMTQIXKUDSMJCP-ZETCQYMHSA-N -1 0 243.259 1.387 50 0 BDAARM CC(C)(C)OC(=O)NCC(F)(F)C(=O)[O-] ZINC000044122481 343491866 /nfs/dbraw/zinc/49/18/66/343491866.db2.gz ZGMUUJAHYZSWTF-UHFFFAOYSA-N -1 0 225.191 1.231 50 0 BDAARM CC1(C)S[C@H](c2ccncc2)N[C@@H]1C(=O)[O-] ZINC000075272560 187261888 /nfs/dbraw/zinc/26/18/88/187261888.db2.gz CULRMXDEHPITBT-RKDXNWHRSA-N -1 0 238.312 1.648 50 0 BDAARM Cc1cscc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000086815033 187271447 /nfs/dbraw/zinc/27/14/47/187271447.db2.gz XQAKWZXZTKNFCT-UHFFFAOYSA-N -1 0 239.296 1.746 50 0 BDAARM O=C([O-])CC[C@@H]1CC(=O)Nc2ccccc21 ZINC000000259403 537819410 /nfs/dbraw/zinc/81/94/10/537819410.db2.gz VGGFTZNFNWIIMG-MRVPVSSYSA-N -1 0 219.240 1.977 50 0 BDAARM Cc1ccc(CNC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000000541160 346994275 /nfs/dbraw/zinc/99/42/75/346994275.db2.gz JDXHRINSZJOVSA-VIFPVBQESA-N -1 0 236.271 1.267 50 0 BDAARM CCCc1cc(=O)[nH]c(SCCC(=O)[O-])n1 ZINC000004663872 343938877 /nfs/dbraw/zinc/93/88/77/343938877.db2.gz AJUOVUWRCKPBIK-UHFFFAOYSA-N -1 0 242.300 1.289 50 0 BDAARM CC(C)[C@@H]1CN(c2nccs2)C[C@H]1C(=O)[O-] ZINC000092002449 187286889 /nfs/dbraw/zinc/28/68/89/187286889.db2.gz KUPGNVCROBUVPI-DTWKUNHWSA-N -1 0 240.328 1.936 50 0 BDAARM C[C@]1(C(=O)[O-])CCCN1C(=O)C=C1CCC1 ZINC000585134607 344146951 /nfs/dbraw/zinc/14/69/51/344146951.db2.gz BUJJVIRYFMBOEY-GFCCVEGCSA-N -1 0 223.272 1.562 50 0 BDAARM COc1cc(=O)c2c(O)cc(C)oc-2c1 ZINC000000336322 344707107 /nfs/dbraw/zinc/70/71/07/344707107.db2.gz SUTUBQHKZRNZRA-UHFFFAOYSA-N -1 0 206.197 1.816 50 0 endogenous,in-man BDAARM O=C([O-])CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000238160791 187295669 /nfs/dbraw/zinc/29/56/69/187295669.db2.gz BDXHJTQSZOZDFZ-LLVKDONJSA-N -1 0 239.246 1.284 50 0 BDAARM Cc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000013114123 178782163 /nfs/dbraw/zinc/78/21/63/178782163.db2.gz ZGENHKZLHBKAGX-UHFFFAOYSA-N -1 0 216.244 1.525 50 0 BDAARM C[C@@H]1[C@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000238454222 345051911 /nfs/dbraw/zinc/05/19/11/345051911.db2.gz GLXXUWWAQCAPNM-RNFRBKRXSA-N -1 0 215.249 1.326 50 0 BDAARM CC(C)C[C@@H](NC(=O)NC(C)C)C(=O)[O-] ZINC000006563852 187303569 /nfs/dbraw/zinc/30/35/69/187303569.db2.gz CMROOTICCXFKRT-MRVPVSSYSA-N -1 0 216.281 1.193 50 0 BDAARM CS(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000186429710 345965499 /nfs/dbraw/zinc/96/54/99/345965499.db2.gz IZPIXDIDZLOIPG-UHFFFAOYSA-N -1 0 238.268 1.713 50 0 BDAARM Cc1ccc2c(c1C)NC(=O)[C@@H]2CC(=O)[O-] ZINC000095496182 178961897 /nfs/dbraw/zinc/96/18/97/178961897.db2.gz MYHSYPBQJXLHGH-SECBINFHSA-N -1 0 219.240 1.814 50 0 BDAARM Cc1cccc(-n2ccc(=O)c(C(=O)[O-])n2)c1 ZINC000006759555 179000380 /nfs/dbraw/zinc/00/03/80/179000380.db2.gz JWMOMMYQYRFNNJ-UHFFFAOYSA-N -1 0 230.223 1.239 50 0 BDAARM Cc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000022218335 179009990 /nfs/dbraw/zinc/00/99/90/179009990.db2.gz CKPCEAKEDUTGRJ-JTQLQIEISA-N -1 0 234.255 1.079 50 0 BDAARM Cc1cccc(C(=O)NCCCCC(=O)[O-])n1 ZINC000070197028 179015836 /nfs/dbraw/zinc/01/58/36/179015836.db2.gz RIMYNVICVAQFNS-UHFFFAOYSA-N -1 0 236.271 1.375 50 0 BDAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)c1cnc[nH]1 ZINC000218616702 187318783 /nfs/dbraw/zinc/31/87/83/187318783.db2.gz QGMQHKHKBHWLSK-QMMMGPOBSA-N -1 0 239.275 1.029 50 0 BDAARM Cc1ccc(CSc2nncc(=O)[n-]2)cc1 ZINC000005625980 346286182 /nfs/dbraw/zinc/28/61/82/346286182.db2.gz VASCMKLJIGCAIU-UHFFFAOYSA-N -1 0 233.296 1.766 50 0 BDAARM CSc1ccccc1NC(=O)/C=C/C(=O)[O-] ZINC000000097818 346403808 /nfs/dbraw/zinc/40/38/08/346403808.db2.gz BVSYMRMSZGACBF-VOTSOKGWSA-N -1 0 237.280 1.988 50 0 BDAARM Cc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000000317000 179123289 /nfs/dbraw/zinc/12/32/89/179123289.db2.gz FEIYFABONGDZKQ-VIFPVBQESA-N -1 0 219.240 1.433 50 0 BDAARM Cc1cccc(NS(=O)(=O)CCC(=O)[O-])c1 ZINC000011848939 179151328 /nfs/dbraw/zinc/15/13/28/179151328.db2.gz BGHKMCDPWDBMIZ-UHFFFAOYSA-N -1 0 243.284 1.211 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccccc1C ZINC000006678049 179241905 /nfs/dbraw/zinc/24/19/05/179241905.db2.gz FPTQZFMOMJCRLY-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1ccccc1/C=C1\NC(=O)[N-]C1=O ZINC000012408864 179244585 /nfs/dbraw/zinc/24/45/85/179244585.db2.gz JVIQAUUOTMODKJ-TWGQIWQCSA-N -1 0 202.213 1.175 50 0 BDAARM Cc1ccccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062912680 179248444 /nfs/dbraw/zinc/24/84/44/179248444.db2.gz URQNGFCWCWAUKO-AWEZNQCLSA-N -1 0 247.294 1.932 50 0 BDAARM Cc1ccccc1[C@@H]1CN(CC(=O)[O-])CCO1 ZINC000237630528 179329980 /nfs/dbraw/zinc/32/99/80/179329980.db2.gz IXJLORFTZYEPQI-LBPRGKRZSA-N -1 0 235.283 1.453 50 0 BDAARM Cc1ccoc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097009339 179508733 /nfs/dbraw/zinc/50/87/33/179508733.db2.gz NFWGEIBAUICEQY-DTWKUNHWSA-N -1 0 237.255 1.571 50 0 BDAARM CC(=O)N[C@H]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000000328194 190969628 /nfs/dbraw/zinc/96/96/28/190969628.db2.gz BBNRPFXNYBFATO-JSGCOSHPSA-N -1 0 247.294 1.698 50 0 BDAARM Cc1n[nH]c(C)c1Cc1ccc(C(=O)[O-])o1 ZINC000004235022 179825621 /nfs/dbraw/zinc/82/56/21/179825621.db2.gz NPBZTOKSEXKKAG-UHFFFAOYSA-N -1 0 220.228 1.909 50 0 BDAARM Cc1n[n-]c(N[C@H](C)c2ccccc2)nc1=O ZINC000008738848 179837758 /nfs/dbraw/zinc/83/77/58/179837758.db2.gz GNOPNPLJPABZCQ-MRVPVSSYSA-N -1 0 230.271 1.646 50 0 BDAARM Cc1nc(N2CCCC2)c(Cl)c(=O)[n-]1 ZINC000032911356 180001541 /nfs/dbraw/zinc/00/15/41/180001541.db2.gz UWQVOKUBVYDGMW-UHFFFAOYSA-N -1 0 213.668 1.332 50 0 BDAARM Cc1nc(OC(C)C)sc1C(=O)[O-] ZINC000072324065 180027613 /nfs/dbraw/zinc/02/76/13/180027613.db2.gz DGFJLZVNVMIESZ-UHFFFAOYSA-N -1 0 201.247 1.937 50 0 BDAARM Cc1nc2cc(Cl)ccn2c1C(=O)[O-] ZINC000040447983 180079687 /nfs/dbraw/zinc/07/96/87/180079687.db2.gz KDAMYDXBTOHODT-UHFFFAOYSA-N -1 0 210.620 1.994 50 0 BDAARM Cc1nc2c(c(SCC(=O)[O-])n1)CCC2 ZINC000012016892 180070077 /nfs/dbraw/zinc/07/00/77/180070077.db2.gz VRPHDDADMFVRNZ-UHFFFAOYSA-N -1 0 224.285 1.450 50 0 BDAARM Cc1nn2c([n-]1)nc(C(F)(F)F)cc2=O ZINC000013399925 180114463 /nfs/dbraw/zinc/11/44/63/180114463.db2.gz TVMJPUUYQACRKR-UHFFFAOYSA-N -1 0 218.138 1.157 50 0 BDAARM O=C([O-])c1ncccc1-c1ccccn1 ZINC000098180456 191061876 /nfs/dbraw/zinc/06/18/76/191061876.db2.gz FLMXMMORJHQVPB-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM COc1c(CC(=O)[O-])ccnc1C(F)(F)F ZINC000309401827 350368241 /nfs/dbraw/zinc/36/82/41/350368241.db2.gz TVQSGHJYBXTNMS-UHFFFAOYSA-N -1 0 235.161 1.736 50 0 BDAARM O=C([O-])[C@H]1C(=O)NC[C@H]1c1ccccc1Cl ZINC000040449442 350365131 /nfs/dbraw/zinc/36/51/31/350365131.db2.gz MLVZUUPFXGUZTA-IONNQARKSA-N -1 0 239.658 1.254 50 0 BDAARM O=C([O-])[C@@H]1CSCN1Cc1cccs1 ZINC000040449122 350365159 /nfs/dbraw/zinc/36/51/59/350365159.db2.gz PYKWXZZVBULGFX-QMMMGPOBSA-N -1 0 229.326 1.708 50 0 BDAARM Cc1nn(CC(=O)[O-])cc1-c1ccccc1 ZINC000098095727 180386813 /nfs/dbraw/zinc/38/68/13/180386813.db2.gz HWRMEDYGDFDNTA-UHFFFAOYSA-N -1 0 216.240 1.943 50 0 BDAARM CC(=O)C1=C([O-])c2cc(C)ccc2OC1 ZINC000100247938 191117167 /nfs/dbraw/zinc/11/71/67/191117167.db2.gz HAVQQQCFUHSSCA-SNVBAGLBSA-N -1 0 204.225 1.775 50 0 BDAARM Nc1c(C(=O)[O-])cnn1Cc1ccccc1 ZINC000035577505 358458055 /nfs/dbraw/zinc/45/80/55/358458055.db2.gz DYYNEZNBGKLOQT-UHFFFAOYSA-N -1 0 217.228 1.212 50 0 BDAARM CC(=O)OC[C@H]1CC=C(C)C[C@@H]1C(=O)[O-] ZINC000004760386 191120865 /nfs/dbraw/zinc/12/08/65/191120865.db2.gz VNASBZVBLIPEBK-ZJUUUORDSA-N -1 0 212.245 1.607 50 0 BDAARM O=C([O-])/C=C\C(=O)n1ccnc1-c1ccccc1 ZINC000210958312 350878288 /nfs/dbraw/zinc/87/82/88/350878288.db2.gz GUAXXUHKGVMKGG-SREVYHEPSA-N -1 0 242.234 1.831 50 0 BDAARM Cc1sc(Br)nc1C(=O)[O-] ZINC000081990511 180556502 /nfs/dbraw/zinc/55/65/02/180556502.db2.gz XSZIUHFDUUSYKH-UHFFFAOYSA-N -1 0 222.063 1.912 50 0 BDAARM Cn1cc(-c2ncc(C(=O)[O-])s2)cn1 ZINC000036930166 180628289 /nfs/dbraw/zinc/62/82/89/180628289.db2.gz RPZCAXYQGBHIEY-UHFFFAOYSA-N -1 0 209.230 1.242 50 0 BDAARM Cn1cc(-c2cncc(C(=O)[O-])c2)cn1 ZINC000042325550 180628312 /nfs/dbraw/zinc/62/83/12/180628312.db2.gz UABQBYRTVXIXHV-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM Cn1c(SCC(=O)[O-])nnc1[C@H]1CC1(C)C ZINC000065536551 180623742 /nfs/dbraw/zinc/62/37/42/180623742.db2.gz XEOLFDXAPSEILP-ZCFIWIBFSA-N -1 0 241.316 1.505 50 0 BDAARM CC(C)c1nsc(NCC(=O)[O-])n1 ZINC000083650458 352219465 /nfs/dbraw/zinc/21/94/65/352219465.db2.gz JUAWFQVLSONATH-UHFFFAOYSA-N -1 0 201.251 1.158 50 0 BDAARM Cn1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000015933466 180711237 /nfs/dbraw/zinc/71/12/37/180711237.db2.gz UMSNBPXXRMGAKT-RKDXNWHRSA-N -1 0 249.270 1.026 50 0 BDAARM O=C([O-])[C@]1(c2ccccc2)CC[C@H](O)C1 ZINC000000295335 187925250 /nfs/dbraw/zinc/92/52/50/187925250.db2.gz OUJQRDINJYZZNS-CMPLNLGQSA-N -1 0 206.241 1.554 50 0 BDAARM CC(=O)N[C@H](CCCc1ccccc1)C(=O)[O-] ZINC000002046419 187926170 /nfs/dbraw/zinc/92/61/70/187926170.db2.gz NATYAPACRIEJOH-GFCCVEGCSA-N -1 0 235.283 1.599 50 0 BDAARM Cc1cccc([C@@H](CC(=O)[O-])NC(N)=O)c1 ZINC000012998127 187932596 /nfs/dbraw/zinc/93/25/96/187932596.db2.gz DIEWXCQMNINIJP-SECBINFHSA-N -1 0 222.244 1.179 50 0 BDAARM CC(=O)Nc1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000031659460 188009917 /nfs/dbraw/zinc/00/99/17/188009917.db2.gz BLZKIXNZGXLIKB-SREVYHEPSA-N -1 0 248.238 1.224 50 0 BDAARM Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C(=O)[O-] ZINC000322297709 363213466 /nfs/dbraw/zinc/21/34/66/363213466.db2.gz VOHQSEWJVVPGDD-PSASIEDQSA-N -1 0 224.260 1.199 50 0 BDAARM CCc1onc(-c2ccnn2CC)c1C(=O)[O-] ZINC000675058219 538481373 /nfs/dbraw/zinc/48/13/73/538481373.db2.gz YCSJZVUZBWQVQU-UHFFFAOYSA-N -1 0 235.243 1.819 50 0 BDAARM C[C@H](C(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096986477 538617157 /nfs/dbraw/zinc/61/71/57/538617157.db2.gz FRYFRZPDMHRDDH-IUCAKERBSA-N -1 0 243.303 1.964 50 0 BDAARM O=C([O-])[C@@H]1Cc2ccccc2O[C@H]1C(F)F ZINC000685939318 538886510 /nfs/dbraw/zinc/88/65/10/538886510.db2.gz QYIUGQOEDXBLHI-VXNVDRBHSA-N -1 0 228.194 1.956 50 0 BDAARM O=C([O-])c1cnc(-c2ccc(Cl)nc2)nc1 ZINC000685949883 538892985 /nfs/dbraw/zinc/89/29/85/538892985.db2.gz VGXFONSXNMEARV-UHFFFAOYSA-N -1 0 235.630 1.890 50 0 BDAARM Nc1ccc(C2(C(=O)[O-])CCOCC2)cc1 ZINC000036155123 359660929 /nfs/dbraw/zinc/66/09/29/359660929.db2.gz DDHQPUFTHQUUFT-UHFFFAOYSA-N -1 0 221.256 1.402 50 0 BDAARM Cc1ccc2oc(=O)c(C(=O)[O-])cc2c1 ZINC000002023765 360007996 /nfs/dbraw/zinc/00/79/96/360007996.db2.gz FJICLQQBBFWGMZ-UHFFFAOYSA-N -1 0 204.181 1.800 50 0 in-vivo BDAARM O=C([O-])c1occc(=O)c1OCc1ccccc1 ZINC000113083939 360446975 /nfs/dbraw/zinc/44/69/75/360446975.db2.gz KJSJBKBZMGSIPT-UHFFFAOYSA-N -1 0 246.218 1.917 50 0 BDAARM O=C([O-])Cc1cc(C(F)(F)F)cnc1F ZINC000238679740 361176990 /nfs/dbraw/zinc/17/69/90/361176990.db2.gz APQVYDMDONHHIF-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM O=C([O-])c1cnc(Cc2ccncc2)nc1 ZINC000054856950 541515808 /nfs/dbraw/zinc/51/58/08/541515808.db2.gz IKERRMNGYKQUBZ-UHFFFAOYSA-N -1 0 215.212 1.161 50 0 BDAARM O=c1[n-]c(=S)c(SC(F)F)n[nH]1 ZINC000002270630 368144624 /nfs/dbraw/zinc/14/46/24/368144624.db2.gz WIRLAYVQKSTTBJ-UHFFFAOYSA-N -1 0 211.218 1.142 50 0 BDAARM CCOC(=O)[N-]C1=NN(c2ccccc2)CC1=O ZINC000019909091 368373326 /nfs/dbraw/zinc/37/33/26/368373326.db2.gz YXQPHBFGQQTASY-UHFFFAOYSA-N -1 0 247.254 1.135 50 0 BDAARM COCc1noc(-c2nc3cc(F)ccc3[nH]2)n1 ZINC000020235740 371249659 /nfs/dbraw/zinc/24/96/59/371249659.db2.gz BPSSQVBTNMBWAG-UHFFFAOYSA-N -1 0 248.217 1.898 50 0 BDAARM Cn1ccc2cc(C(=O)[O-])ccc2c1=O ZINC000095628781 371309357 /nfs/dbraw/zinc/30/93/57/371309357.db2.gz FVMKDCNNTMDWNA-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 BDAARM Nc1ccccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000005556341 181752371 /nfs/dbraw/zinc/75/23/71/181752371.db2.gz MFMDWUTVSOCZJZ-UHFFFAOYSA-N -1 0 248.282 1.206 50 0 BDAARM CC(C)(C)NC(=O)[N-]C(=O)C(F)(F)F ZINC000002689830 371631214 /nfs/dbraw/zinc/63/12/14/371631214.db2.gz DTCXFJVGZWCXLM-UHFFFAOYSA-N -1 0 212.171 1.173 50 0 BDAARM Nc1nc2c(o1)c(F)c(F)c(F)c2C(=O)[O-] ZINC000097757447 181790265 /nfs/dbraw/zinc/79/02/65/181790265.db2.gz KAUKHLBETRXQMK-UHFFFAOYSA-N -1 0 232.117 1.526 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)c1cccs1 ZINC000057533645 371859484 /nfs/dbraw/zinc/85/94/84/371859484.db2.gz BMSNYCJFJFBVQP-UHFFFAOYSA-N -1 0 241.312 1.931 50 0 BDAARM CCc1c([O-])c2cc(OC)ccc2[nH]c1=O ZINC000003944868 372097881 /nfs/dbraw/zinc/09/78/81/372097881.db2.gz NXFZWAZPKWUGPD-UHFFFAOYSA-N -1 0 219.240 1.805 50 0 BDAARM CC(C)[C@H]1Cc2[nH]c(=O)c(C(=O)[O-])cc2CO1 ZINC000008619704 372810717 /nfs/dbraw/zinc/81/07/17/372810717.db2.gz AFUFXACRYGRXQR-SNVBAGLBSA-N -1 0 237.255 1.170 50 0 biogenic BDAARM O=C([O-])c1cccc(NC(=O)C[C@H]2CCOC2)c1 ZINC000362753868 182030915 /nfs/dbraw/zinc/03/09/15/182030915.db2.gz VPWLGVYRQPNBKT-SECBINFHSA-N -1 0 249.266 1.750 50 0 BDAARM O=C(N=c1cccn[n-]1)c1ccoc1C1CC1 ZINC000341468801 182086276 /nfs/dbraw/zinc/08/62/76/182086276.db2.gz WBYLFUPAKJGUDB-UHFFFAOYSA-N -1 0 229.239 1.621 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NC1CCCC1 ZINC000000475056 182110428 /nfs/dbraw/zinc/11/04/28/182110428.db2.gz GFFQGBWDOUPKBF-WDEREUQCSA-N -1 0 237.299 1.712 50 0 BDAARM CCCCC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000042295031 374260093 /nfs/dbraw/zinc/26/00/93/374260093.db2.gz CQYBEDYWUAEYIB-VIFPVBQESA-N -1 0 213.277 1.642 50 0 BDAARM O=C([N-]OCc1ccccc1)c1ccc(=O)[nH]n1 ZINC000025035472 182284113 /nfs/dbraw/zinc/28/41/13/182284113.db2.gz IOCXUVPDJKSVCS-UHFFFAOYSA-N -1 0 245.238 1.044 50 0 BDAARM O=C([O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000032500450 182353143 /nfs/dbraw/zinc/35/31/43/182353143.db2.gz FTXACWVNUJCGIO-UHFFFAOYSA-N -1 0 220.228 1.669 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccnc1 ZINC000000317337 182383870 /nfs/dbraw/zinc/38/38/70/182383870.db2.gz LXJRXEHUFVTCHA-WDEREUQCSA-N -1 0 246.266 1.687 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc[nH]n1 ZINC000013961033 182385700 /nfs/dbraw/zinc/38/57/00/182385700.db2.gz JQHJVZCWANCGBW-JGVFFNPUSA-N -1 0 235.243 1.015 50 0 BDAARM O=C([O-])C1CN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000075172942 182428515 /nfs/dbraw/zinc/42/85/15/182428515.db2.gz KXENIKRXJHZJTC-UHFFFAOYSA-N -1 0 244.250 1.325 50 0 BDAARM O=C([O-])CC(O)(C(F)(F)F)C(F)(F)F ZINC000002039468 182431442 /nfs/dbraw/zinc/43/14/42/182431442.db2.gz NOHJBOWARMTILE-UHFFFAOYSA-N -1 0 226.072 1.317 50 0 BDAARM O=C([O-])COc1nc2ccccc2s1 ZINC000001684518 182471016 /nfs/dbraw/zinc/47/10/16/182471016.db2.gz OPQIOIYLAKHILI-UHFFFAOYSA-N -1 0 209.226 1.760 50 0 BDAARM O=C([O-])C[C@H]1Cc2ccccc2NC1=O ZINC000035287416 182487063 /nfs/dbraw/zinc/48/70/63/182487063.db2.gz VOOBKBWATCPJRK-MRVPVSSYSA-N -1 0 205.213 1.272 50 0 BDAARM 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-1 0 239.296 1.694 50 0 BDAARM Cc1cccc(/C=C\C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000098052664 384924169 /nfs/dbraw/zinc/92/41/69/384924169.db2.gz LVPLENDHAUESBF-JMEBYUIHSA-N -1 0 247.294 1.845 50 0 BDAARM Nc1cnc(Br)cc1C(=O)[O-] ZINC000085224539 384927010 /nfs/dbraw/zinc/92/70/10/384927010.db2.gz TZANKVNNHOWWKK-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC000057218995 384931009 /nfs/dbraw/zinc/93/10/09/384931009.db2.gz SDTQQTUDFXUEEX-FXQIFTODSA-N -1 0 227.260 1.326 50 0 BDAARM O=C([O-])[C@]12CCCC=C1N(C1CC1)C(=O)CC2 ZINC000085347686 384937183 /nfs/dbraw/zinc/93/71/83/384937183.db2.gz STJJWIZXPNMKEH-ZDUSSCGKSA-N -1 0 235.283 1.910 50 0 BDAARM COC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000028296822 384946074 /nfs/dbraw/zinc/94/60/74/384946074.db2.gz FQPZQGXEPHJGLR-UHFFFAOYSA-N -1 0 217.224 1.623 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000059597966 385052599 /nfs/dbraw/zinc/05/25/99/385052599.db2.gz ZEPYQTSEUXLBDD-UHFFFAOYSA-N -1 0 221.134 1.866 50 0 BDAARM Cc1ccc(CC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000062117750 385060696 /nfs/dbraw/zinc/06/06/96/385060696.db2.gz XLMSZHWVWYBBGF-GFCCVEGCSA-N -1 0 247.294 1.471 50 0 BDAARM COc1cc(F)c(C(=O)[O-])cc1OC ZINC000032234800 385138031 /nfs/dbraw/zinc/13/80/31/385138031.db2.gz DFGPPMUENMUUDV-UHFFFAOYSA-N -1 0 200.165 1.541 50 0 BDAARM CC(C)n1nnc(C(=O)[O-])c1C(F)(F)F ZINC000062296224 385167630 /nfs/dbraw/zinc/16/76/30/385167630.db2.gz IWSZDSRUSDIUMV-UHFFFAOYSA-N -1 0 223.154 1.576 50 0 BDAARM O=C([O-])Cc1cc(F)nc(C(F)(F)F)c1 ZINC000095762031 385206823 /nfs/dbraw/zinc/20/68/23/385206823.db2.gz DUFVKZLMFMBAGE-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM CCS(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000130109528 385218477 /nfs/dbraw/zinc/21/84/77/385218477.db2.gz DQSKVJMCSBBFIF-UHFFFAOYSA-N -1 0 243.263 1.464 50 0 BDAARM O=C([O-])CSc1nncc2ccccc21 ZINC000000155585 385267053 /nfs/dbraw/zinc/26/70/53/385267053.db2.gz PALYUVYEAVDKLW-UHFFFAOYSA-N -1 0 220.253 1.807 50 0 BDAARM O=C([O-])CCC(=O)[C@H]1CNc2ccccc21 ZINC000000519750 385414107 /nfs/dbraw/zinc/41/41/07/385414107.db2.gz OSCRGOZQSQYZIW-VIFPVBQESA-N -1 0 219.240 1.630 50 0 biogenic BDAARM CN1C(=O)COc2c(C(=O)[O-])cc(Cl)cc21 ZINC000021993077 385543208 /nfs/dbraw/zinc/54/32/08/385543208.db2.gz ZTIKBJABRWRXFK-UHFFFAOYSA-N -1 0 241.630 1.393 50 0 BDAARM CCCC[C@H](COC)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262377865 385688729 /nfs/dbraw/zinc/68/87/29/385688729.db2.gz HRBZRHKMXRDYKY-UTLUCORTSA-N -1 0 243.303 1.029 50 0 BDAARM CCN(CCC(=O)[O-])C(=O)Cc1cccs1 ZINC000038023005 385760883 /nfs/dbraw/zinc/76/08/83/385760883.db2.gz GUZBTOUIEKOVKD-UHFFFAOYSA-N -1 0 241.312 1.614 50 0 BDAARM Nc1nc2cc(CCC(=O)[O-])ccc2o1 ZINC000214907534 385833161 /nfs/dbraw/zinc/83/31/61/385833161.db2.gz UEJAAHRIWMDEHI-UHFFFAOYSA-N -1 0 206.201 1.427 50 0 BDAARM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000095961749 385858792 /nfs/dbraw/zinc/85/87/92/385858792.db2.gz JZOICXDVPSBVFI-KOLCDFICSA-N -1 0 248.282 1.373 50 0 BDAARM O=C([O-])CNC(=O)CC1CC(c2ccccc2)C1 ZINC000263320424 386021193 /nfs/dbraw/zinc/02/11/93/386021193.db2.gz IUSVWAAZNNUKFG-UHFFFAOYSA-N -1 0 247.294 1.771 50 0 BDAARM O=C(CO)Nc1cc(Cl)c([O-])cc1F ZINC000335966008 386085298 /nfs/dbraw/zinc/08/52/98/386085298.db2.gz CVNSNLACZCCRGU-UHFFFAOYSA-N -1 0 219.599 1.116 50 0 BDAARM O=C([O-])c1cnc(F)c(OC(F)F)c1 ZINC000263625016 386158813 /nfs/dbraw/zinc/15/88/13/386158813.db2.gz WBHNCOVPBQGIAZ-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM Cc1nc(-c2ccccc2)cn([O-])c1=O ZINC000001400343 386224935 /nfs/dbraw/zinc/22/49/35/386224935.db2.gz GPVXYQHEFLQRLH-UHFFFAOYSA-N -1 0 202.213 1.456 50 0 BDAARM C[C@@H](CN(C)C(=O)c1ccc(F)cn1)C(=O)[O-] ZINC000228564837 386586670 /nfs/dbraw/zinc/58/66/70/386586670.db2.gz ABFMGCAITGEPAS-ZETCQYMHSA-N -1 0 240.234 1.013 50 0 BDAARM CC(C)(C)OC(=O)N1CC(F)(F)[C@@H]1C(=O)[O-] ZINC000095933263 386556819 /nfs/dbraw/zinc/55/68/19/386556819.db2.gz SNIQPSBTDHQLPU-YFKPBYRVSA-N -1 0 237.202 1.326 50 0 BDAARM CN(C)c1nccnc1-c1ccccc1C(=O)[O-] ZINC000534585988 386644507 /nfs/dbraw/zinc/64/45/07/386644507.db2.gz AXFIBJQRDPZCEX-UHFFFAOYSA-N -1 0 243.266 1.908 50 0 BDAARM Nc1cc(C(=O)[O-])[nH]c1-c1ccccn1 ZINC000074208941 386847852 /nfs/dbraw/zinc/84/78/52/386847852.db2.gz NDDIXOCBAUDTPC-UHFFFAOYSA-N -1 0 203.201 1.357 50 0 BDAARM O=C([O-])c1ccc2ccc(O)cc2c1O ZINC000116843982 386992919 /nfs/dbraw/zinc/99/29/19/386992919.db2.gz ZCHMTTBBZBUJMA-UHFFFAOYSA-N -1 0 204.181 1.949 50 0 BDAARM C[C@@H]1C[C@]1(C(=O)[O-])C(=O)OC(C)(C)C ZINC000219201379 387157473 /nfs/dbraw/zinc/15/74/73/387157473.db2.gz FOTBJYSXNXESMQ-LDWIPMOCSA-N -1 0 200.234 1.439 50 0 BDAARM CCCC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000104410347 387478228 /nfs/dbraw/zinc/47/82/28/387478228.db2.gz WKKTXGXAQOKJAL-UHFFFAOYSA-N -1 0 235.283 1.844 50 0 BDAARM Cc1cc(C(=O)NC[C@H](C)C(=O)[O-])c(C)s1 ZINC000054333253 387484040 /nfs/dbraw/zinc/48/40/40/387484040.db2.gz BSAGFXQOBNEBKK-LURJTMIESA-N -1 0 241.312 1.815 50 0 BDAARM CC/C=C(/C)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000069837803 387715193 /nfs/dbraw/zinc/71/51/93/387715193.db2.gz GYZBOGUABGXMHC-RDOCRHDPSA-N -1 0 213.277 1.712 50 0 BDAARM CCO[N-]C(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000036391296 387779889 /nfs/dbraw/zinc/77/98/89/387779889.db2.gz JLBLCAQTKWDQBU-GZMMTYOYSA-N -1 0 237.255 1.283 50 0 BDAARM O=C([O-])c1ccnc(OC(F)(F)F)c1 ZINC000098213918 387852093 /nfs/dbraw/zinc/85/20/93/387852093.db2.gz PGAJZMZZYBMULE-UHFFFAOYSA-N -1 0 207.107 1.678 50 0 BDAARM CCOCCNC(=O)c1cccc(C(=O)[O-])c1 ZINC000036230552 387887009 /nfs/dbraw/zinc/88/70/09/387887009.db2.gz WKMFEBPZMQMARH-UHFFFAOYSA-N -1 0 237.255 1.151 50 0 BDAARM O=C([O-])/C=C/c1nnc(-c2ccccc2)o1 ZINC000071519565 388097169 /nfs/dbraw/zinc/09/71/69/388097169.db2.gz CERYHGKQURTJAM-VOTSOKGWSA-N -1 0 216.196 1.834 50 0 BDAARM C[C@@H](CN(C(=O)c1cccnc1)C1CC1)C(=O)[O-] ZINC000071732503 388111653 /nfs/dbraw/zinc/11/16/53/388111653.db2.gz QSCREOMPBZZVOV-VIFPVBQESA-N -1 0 248.282 1.407 50 0 BDAARM CC1(C)[C@H](C(=O)Nc2ccccn2)[C@@H]1C(=O)[O-] ZINC000071287672 388276413 /nfs/dbraw/zinc/27/64/13/388276413.db2.gz NRVDFMSOFBOUBQ-DTWKUNHWSA-N -1 0 234.255 1.377 50 0 BDAARM O=C([O-])c1ccc(C=NN2CCOCC2)cc1 ZINC000254835557 388372919 /nfs/dbraw/zinc/37/29/19/388372919.db2.gz DKWAUVPHEKCTGA-UHFFFAOYSA-N -1 0 234.255 1.051 50 0 BDAARM O=C([O-])/C=C/c1nc2ccccc2[nH]c1=O ZINC000003434997 388378216 /nfs/dbraw/zinc/37/82/16/388378216.db2.gz HMYGHKLPRIZCFM-AATRIKPKSA-N -1 0 216.196 1.021 50 0 BDAARM O=C([O-])CN1CCO[C@H](CCc2ccccc2)C1 ZINC000071763466 388445569 /nfs/dbraw/zinc/44/55/69/388445569.db2.gz HFBGBKLGLNEURJ-CYBMUJFWSA-N -1 0 249.310 1.405 50 0 BDAARM O=C([O-])CNC(=O)c1ccc(Cl)cc1 ZINC000000038796 388410345 /nfs/dbraw/zinc/41/03/45/388410345.db2.gz COYZIYOEXGRBHQ-UHFFFAOYSA-N -1 0 213.620 1.154 50 0 biogenic,in-vitro BDAARM Cc1ccc(O)c(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000008997647 388413350 /nfs/dbraw/zinc/41/33/50/388413350.db2.gz UXGBNGDFNNYDLC-UHFFFAOYSA-N -1 0 232.243 1.231 50 0 BDAARM CSc1cc[nH]c2nc(C(=O)[O-])cc1-2 ZINC000076914395 388671567 /nfs/dbraw/zinc/67/15/67/388671567.db2.gz NNRSUCDPUGECST-UHFFFAOYSA-N -1 0 208.242 1.983 50 0 BDAARM CSc1cncc2[nH]c(C(=O)[O-])cc21 ZINC000076914398 388671594 /nfs/dbraw/zinc/67/15/94/388671594.db2.gz CPCSKOLCGIOUSR-UHFFFAOYSA-N -1 0 208.242 1.983 50 0 BDAARM CC(C)(NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000095394010 388766241 /nfs/dbraw/zinc/76/62/41/388766241.db2.gz YBEHAGDXCTWAGN-UHFFFAOYSA-N -1 0 246.266 1.761 50 0 BDAARM O=C([O-])C[C@H](NC(=O)C1CC=CC1)C1CC1 ZINC000095424966 388769145 /nfs/dbraw/zinc/76/91/45/388769145.db2.gz HRBZFXZGEGPMAY-JTQLQIEISA-N -1 0 223.272 1.322 50 0 BDAARM O=C([O-])C[C@@H](NC(=O)c1ccco1)C1CC1 ZINC000095424964 388769209 /nfs/dbraw/zinc/76/92/09/388769209.db2.gz XCABZEQJQWELLP-MRVPVSSYSA-N -1 0 223.228 1.263 50 0 BDAARM Cc1cc(-n2cncn2)ccc1C(=O)[O-] ZINC000050577053 177697825 /nfs/dbraw/zinc/69/78/25/177697825.db2.gz IBLGUBLXNQGMRR-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1nnc(N(C)C[C@H](C)C(=O)[O-])s1 ZINC000083583303 135450556 /nfs/dbraw/zinc/45/05/56/135450556.db2.gz KSYVRZUNVFPXIZ-YFKPBYRVSA-N -1 0 215.278 1.003 50 0 BDAARM O=C([O-])c1ccc(N2CCC[C@@H](O)C2)cc1 ZINC000050913250 132228634 /nfs/dbraw/zinc/22/86/34/132228634.db2.gz MAAUZBDYRGJMKC-LLVKDONJSA-N -1 0 221.256 1.346 50 0 BDAARM C[C@@H](C(=O)[O-])N1c2ccccc2O[C@@H](C)C1=O ZINC000000225005 132313204 /nfs/dbraw/zinc/31/32/04/132313204.db2.gz TYKNSYRLVRTNBF-YUMQZZPRSA-N -1 0 235.239 1.274 50 0 BDAARM O=C([O-])c1ccnc(N2CCCCC2)c1 ZINC000002527394 132315201 /nfs/dbraw/zinc/31/52/01/132315201.db2.gz PYHYIVXTQSCHDX-UHFFFAOYSA-N -1 0 206.245 1.770 50 0 BDAARM O=C([O-])CCN1C(=O)CSc2ccccc21 ZINC000004207027 132316013 /nfs/dbraw/zinc/31/60/13/132316013.db2.gz HLKRXKOGJJRTKX-UHFFFAOYSA-N -1 0 237.280 1.600 50 0 BDAARM CCc1ccc(-n2c(=O)cc([O-])[nH]c2=O)cc1 ZINC000008769096 132319193 /nfs/dbraw/zinc/31/91/93/132319193.db2.gz YSFVAGBTVUXNBT-UHFFFAOYSA-N -1 0 232.239 1.426 50 0 BDAARM Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)nn1 ZINC000011568011 132319404 /nfs/dbraw/zinc/31/94/04/132319404.db2.gz JLYCQNXYBQSYSI-VIFPVBQESA-N -1 0 221.260 1.086 50 0 BDAARM CN1CCCc2cc(CC(=O)[O-])ccc21 ZINC000031893049 132334630 /nfs/dbraw/zinc/33/46/30/132334630.db2.gz NLRHKYZSJBGPAM-UHFFFAOYSA-N -1 0 205.257 1.696 50 0 BDAARM O=C([O-])CN1CCOc2ccc(Cl)cc21 ZINC000071790331 132395485 /nfs/dbraw/zinc/39/54/85/132395485.db2.gz FRQKWAZYAVUMAM-UHFFFAOYSA-N -1 0 227.647 1.623 50 0 BDAARM Cc1c[nH]cc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000262204610 135289917 /nfs/dbraw/zinc/28/99/17/135289917.db2.gz OXPUMRFQENZVIU-UHFFFAOYSA-N -1 0 236.271 1.260 50 0 BDAARM O=C([O-])[C@@]1(F)CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000262693534 135314001 /nfs/dbraw/zinc/31/40/01/135314001.db2.gz APLUAOXUDVKNNG-BXKDBHETSA-N -1 0 241.262 1.368 50 0 BDAARM CS[C@@H](C)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262888060 135322271 /nfs/dbraw/zinc/32/22/71/135322271.db2.gz HQBSJVCETNYYIS-YUMQZZPRSA-N -1 0 231.317 1.204 50 0 BDAARM CCC[C@H](CNC(=O)[C@@]1(C)CC1(F)F)C(=O)[O-] ZINC000263221801 135340217 /nfs/dbraw/zinc/34/02/17/135340217.db2.gz PFSLNKZLOKNUBB-GMSGAONNSA-N -1 0 249.257 1.649 50 0 BDAARM CCCN(CC(=O)[O-])c1ncnc2[nH]ccc21 ZINC000263440978 135354599 /nfs/dbraw/zinc/35/45/99/135354599.db2.gz WYZPLUSKQQEGOD-UHFFFAOYSA-N -1 0 234.259 1.259 50 0 BDAARM CC(C)c1noc(N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000263543375 135359153 /nfs/dbraw/zinc/35/91/53/135359153.db2.gz FGTNLXIHLXOCGP-SSDOTTSWSA-N -1 0 227.264 1.350 50 0 BDAARM C[C@H](CN(C)c1noc(C(C)(C)C)n1)C(=O)[O-] ZINC000263566890 135362315 /nfs/dbraw/zinc/36/23/15/135362315.db2.gz XAAUKHNRVRSBLY-SSDOTTSWSA-N -1 0 241.291 1.524 50 0 BDAARM O=C([O-])C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000034929274 398017882 /nfs/dbraw/zinc/01/78/82/398017882.db2.gz XVQKVRGAKDICRD-SECBINFHSA-N -1 0 223.203 1.793 50 0 BDAARM O=C([O-])C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000034929272 398018049 /nfs/dbraw/zinc/01/80/49/398018049.db2.gz XVQKVRGAKDICRD-VIFPVBQESA-N -1 0 223.203 1.793 50 0 BDAARM CC(C)OCCSc1n[nH]c(=O)[n-]1 ZINC000194620062 167250030 /nfs/dbraw/zinc/25/00/30/167250030.db2.gz CLIYDUUOFJFYNM-UHFFFAOYSA-N -1 0 203.267 1.027 50 0 BDAARM CC(C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000020209282 167079085 /nfs/dbraw/zinc/07/90/85/167079085.db2.gz INASDOHNWMOPFW-UHFFFAOYSA-N -1 0 222.244 1.915 50 0 BDAARM CCCCC[C@H]1C[C@H](CC(=O)[O-])C(=O)O1 ZINC000004008273 411187638 /nfs/dbraw/zinc/18/76/38/411187638.db2.gz PTYWKTSUOWGNCD-BDAKNGLRSA-N -1 0 214.261 1.973 50 0 biogenic BDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCc1ccncc1 ZINC000061721398 168005237 /nfs/dbraw/zinc/00/52/37/168005237.db2.gz YRNSPZWKVFXLAP-UWVGGRQHSA-N -1 0 248.282 1.055 50 0 BDAARM CC1=NN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000032627728 168133255 /nfs/dbraw/zinc/13/32/55/168133255.db2.gz ZNSOPPVIOVDORC-UHFFFAOYSA-N -1 0 204.229 1.971 50 0 BDAARM CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019391625 168233428 /nfs/dbraw/zinc/23/34/28/168233428.db2.gz VRALAFRLCDFPAX-UHFFFAOYSA-N -1 0 207.229 1.411 50 0 BDAARM CCC(=O)Nc1cc(C)c(O)c(C(=O)[O-])c1 ZINC000020136468 168242718 /nfs/dbraw/zinc/24/27/18/168242718.db2.gz HIHGCXOSJDCZEV-UHFFFAOYSA-N -1 0 223.228 1.747 50 0 BDAARM CCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000011638279 168248613 /nfs/dbraw/zinc/24/86/13/168248613.db2.gz UPSCTINSVKNADG-UHFFFAOYSA-N -1 0 214.246 1.119 50 0 BDAARM CCNC(=O)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000020271568 170102948 /nfs/dbraw/zinc/10/29/48/170102948.db2.gz LCDWMZJVMHJDQB-QMMMGPOBSA-N -1 0 237.255 1.288 50 0 BDAARM CCNS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000037238587 170136111 /nfs/dbraw/zinc/13/61/11/170136111.db2.gz LCXYKJGIGWDGKY-UHFFFAOYSA-N -1 0 249.313 1.053 50 0 BDAARM CCOC(=O)C([O-])=C1C(=O)Nc2ccccc21 ZINC000100207539 170182347 /nfs/dbraw/zinc/18/23/47/170182347.db2.gz UTNOKZCEOOZUHP-MDZDMXLPSA-N -1 0 233.223 1.471 50 0 BDAARM CCOC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000019276558 170239238 /nfs/dbraw/zinc/23/92/38/170239238.db2.gz QIINMEGWTDLIJO-SSDOTTSWSA-N -1 0 201.222 1.082 50 0 BDAARM CCOC(=O)c1c([O-])c2ccccc2oc1=O ZINC000100053040 170289187 /nfs/dbraw/zinc/28/91/87/170289187.db2.gz RAGGBDBRGYOOED-UHFFFAOYSA-N -1 0 234.207 1.675 50 0 biogenic BDAARM CCOC(=O)c1ccc(C(=O)[O-])s1 ZINC000014986258 170295377 /nfs/dbraw/zinc/29/53/77/170295377.db2.gz ZHVNYGKUJXZNOA-UHFFFAOYSA-N -1 0 200.215 1.623 50 0 BDAARM CCOC(=O)c1nnc(-c2cccnc2)[n-]1 ZINC000071048963 170306173 /nfs/dbraw/zinc/30/61/73/170306173.db2.gz YYBZOGZYIMDIRE-UHFFFAOYSA-N -1 0 218.216 1.043 50 0 BDAARM CCSc1s[n-]c(=O)c1C(=O)O ZINC000039372524 170658679 /nfs/dbraw/zinc/65/86/79/170658679.db2.gz OTWTZCYGNFNPIJ-UHFFFAOYSA-N -1 0 205.260 1.247 50 0 BDAARM CC[C@H](C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000003900925 171236576 /nfs/dbraw/zinc/23/65/76/171236576.db2.gz ICRRWZRATRTOEH-XHNCKOQMSA-N -1 0 239.271 1.025 50 0 BDAARM CC[C@H](C)Cn1nc(SC)[n-]c1=O ZINC000194578312 171300891 /nfs/dbraw/zinc/30/08/91/171300891.db2.gz GELNQMPZSANFLY-LURJTMIESA-N -1 0 201.295 1.339 50 0 BDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@H]1C1CC1 ZINC000299743200 171310486 /nfs/dbraw/zinc/31/04/86/171310486.db2.gz JZQOSDVSZQZXQY-LSJOCFKGSA-N -1 0 239.315 1.744 50 0 BDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)C(F)=C(C)C ZINC000225479829 171311214 /nfs/dbraw/zinc/31/12/14/171311214.db2.gz MZTPVSBZPHDNSU-QMMMGPOBSA-N -1 0 231.267 1.962 50 0 BDAARM CC[C@H](C)NC(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000002419311 171330592 /nfs/dbraw/zinc/33/05/92/171330592.db2.gz MNNVREBBUWVNQK-YUMQZZPRSA-N -1 0 248.348 1.290 50 0 BDAARM CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCCO1)C(=O)[O-] ZINC000050959058 171373731 /nfs/dbraw/zinc/37/37/31/171373731.db2.gz LGGVWDHSBIKDOX-LPEHRKFASA-N -1 0 243.303 1.171 50 0 BDAARM CC[C@H](Nc1ccc(OC)cc1)C(=O)[O-] ZINC000008702740 171551553 /nfs/dbraw/zinc/55/15/53/171551553.db2.gz MTMUHDXGYAZWHL-JTQLQIEISA-N -1 0 209.245 1.970 50 0 BDAARM CCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000012359677 171938190 /nfs/dbraw/zinc/93/81/90/171938190.db2.gz FKTMJZFSKHVEBY-UHFFFAOYSA-N -1 0 218.212 1.997 50 0 BDAARM CCc1nncn1-c1ccccc1OCC(=O)[O-] ZINC000014000019 172069001 /nfs/dbraw/zinc/06/90/01/172069001.db2.gz DYJDZJGLUVTURR-UHFFFAOYSA-N -1 0 247.254 1.293 50 0 BDAARM CCc1occc1C(=O)NC(C)(C)C(=O)[O-] ZINC000234137733 172115431 /nfs/dbraw/zinc/11/54/31/172115431.db2.gz QQTPAIPHDHVQMZ-UHFFFAOYSA-N -1 0 225.244 1.435 50 0 BDAARM CCn1ccc(-c2cc(C(=O)[O-])no2)n1 ZINC000002538057 172200251 /nfs/dbraw/zinc/20/02/51/172200251.db2.gz SZLTZJIYGUPYOE-UHFFFAOYSA-N -1 0 207.189 1.256 50 0 BDAARM CCn1nc([C@H](C)C(=O)[O-])c2ccccc2c1=O ZINC000000295528 172250780 /nfs/dbraw/zinc/25/07/80/172250780.db2.gz XAXREQRLDORKRY-QMMMGPOBSA-N -1 0 246.266 1.605 50 0 BDAARM CN(C(=O)c1cccc(C(=O)[O-])c1)C1CC1 ZINC000035347759 172341297 /nfs/dbraw/zinc/34/12/97/172341297.db2.gz UEKKEIMHJYFNBW-UHFFFAOYSA-N -1 0 219.240 1.619 50 0 BDAARM CN(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000040558828 172382425 /nfs/dbraw/zinc/38/24/25/172382425.db2.gz TVEGFBPKQSUDFG-UHFFFAOYSA-N -1 0 222.244 1.407 50 0 BDAARM CN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000058099214 172390920 /nfs/dbraw/zinc/39/09/20/172390920.db2.gz HMNHGFSPQUBXDY-UHFFFAOYSA-N -1 0 249.295 1.700 50 0 BDAARM CN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000013718792 172962974 /nfs/dbraw/zinc/96/29/74/172962974.db2.gz AHVBATBBFVYBGJ-JQWIXIFHSA-N -1 0 233.267 1.681 50 0 biogenic BDAARM COC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000095464559 173866317 /nfs/dbraw/zinc/86/63/17/173866317.db2.gz NMXQVFHRVGCYBM-UHFFFAOYSA-N -1 0 220.184 1.229 50 0 BDAARM COC(=O)c1cccc2oc(=S)[n-]c21 ZINC000095761139 173898206 /nfs/dbraw/zinc/89/82/06/173898206.db2.gz AZOPGMJDMFFCGR-UHFFFAOYSA-N -1 0 209.226 1.903 50 0 BDAARM COCCOc1cc(OC)ccc1C(=O)[O-] ZINC000042340034 174367704 /nfs/dbraw/zinc/36/77/04/174367704.db2.gz FDLGCDVIMKHWSZ-UHFFFAOYSA-N -1 0 226.228 1.419 50 0 BDAARM COc1c2c(cc(C(=O)[O-])c1OC)OCO2 ZINC000012418003 174919555 /nfs/dbraw/zinc/91/95/55/174919555.db2.gz FRDRMVXVIUVAPV-UHFFFAOYSA-N -1 0 226.184 1.131 50 0 BDAARM COc1cc(C(=O)[O-])c(N)cc1OC(F)F ZINC000020284167 174949686 /nfs/dbraw/zinc/94/96/86/174949686.db2.gz KHUKTMIHJHVLSI-UHFFFAOYSA-N -1 0 233.170 1.577 50 0 BDAARM COc1cc(OC)c(OC)cc1/C=C/C(=O)[O-] ZINC000000057171 175007272 /nfs/dbraw/zinc/00/72/72/175007272.db2.gz XCEGAEUDHJEYRY-SNAWJCMRSA-N -1 0 238.239 1.810 50 0 biogenic,in-vitro BDAARM COc1cc2c(cc1C(=O)[O-])OCCO2 ZINC000040545976 175021838 /nfs/dbraw/zinc/02/18/38/175021838.db2.gz WZJGVPWIHHYBEG-UHFFFAOYSA-N -1 0 210.185 1.165 50 0 BDAARM COc1cc2ccccc2c(C(=O)[O-])n1 ZINC000095707798 175027676 /nfs/dbraw/zinc/02/76/76/175027676.db2.gz LDKMAQZTEXDDQH-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 BDAARM COc1ccc(C(=O)CCC(=O)[O-])cc1OC ZINC000000401229 175053639 /nfs/dbraw/zinc/05/36/39/175053639.db2.gz BUAYFJKMVBIPKA-UHFFFAOYSA-N -1 0 238.239 1.751 50 0 BDAARM COc1ccc(OC)c(Nc2nncc(=O)[n-]2)c1 ZINC000008744376 175166991 /nfs/dbraw/zinc/16/69/91/175166991.db2.gz PRYIAZZJWFBIDI-UHFFFAOYSA-N -1 0 248.242 1.338 50 0 BDAARM COc1ccc(OC)c2[nH]c(C(=O)[O-])cc21 ZINC000003881743 175169442 /nfs/dbraw/zinc/16/94/42/175169442.db2.gz FJWNGDWJFIQNEG-UHFFFAOYSA-N -1 0 221.212 1.883 50 0 biogenic BDAARM COc1ccc2c(c1)occ(/C=C/C(=O)[O-])c2=O ZINC000000487085 175202621 /nfs/dbraw/zinc/20/26/21/175202621.db2.gz DUNUQPDBMKRLMT-GORDUTHDSA-N -1 0 246.218 1.899 50 0 biogenic BDAARM COc1ccc2c(c1)CC[C@@H](C(=O)[O-])C2 ZINC000057938340 175209514 /nfs/dbraw/zinc/20/95/14/175209514.db2.gz DSVHLKAPYHAYFF-SNVBAGLBSA-N -1 0 206.241 1.885 50 0 BDAARM COc1ccc2c(c1)CCc1c(C(=O)[O-])n[nH]c1-2 ZINC000004004085 175209706 /nfs/dbraw/zinc/20/97/06/175209706.db2.gz QYTVVDFVUGEKHF-UHFFFAOYSA-N -1 0 244.250 1.882 50 0 BDAARM COc1ccc2c(c1)c(=O)ccn2CC(=O)[O-] ZINC000066442580 175218126 /nfs/dbraw/zinc/21/81/26/175218126.db2.gz PBBUYPDMONTIDR-UHFFFAOYSA-N -1 0 233.223 1.095 50 0 biogenic BDAARM COc1cccc2c(N)c(C(=O)[O-])cnc12 ZINC000026463086 175300305 /nfs/dbraw/zinc/30/03/05/175300305.db2.gz UQCXQCSUKAOKBP-UHFFFAOYSA-N -1 0 218.212 1.524 50 0 BDAARM COc1cccc2c1C[C@H](C(=O)[O-])CO2 ZINC000038271778 175303065 /nfs/dbraw/zinc/30/30/65/175303065.db2.gz XMGAJGALUQJCQE-ZETCQYMHSA-N -1 0 208.213 1.331 50 0 BDAARM COc1cccc2c1O[C@@H](C)C(C(=O)[O-])=C2 ZINC000095470835 175304578 /nfs/dbraw/zinc/30/45/78/175304578.db2.gz VDHSVSWDZHWJAP-ZETCQYMHSA-N -1 0 220.224 1.944 50 0 BDAARM COc1ccnc(-c2ncc(C(=O)[O-])cn2)c1 ZINC000095803096 175357009 /nfs/dbraw/zinc/35/70/09/175357009.db2.gz XMYAVBKKTZSNTM-UHFFFAOYSA-N -1 0 231.211 1.245 50 0 BDAARM C[C@@H](CCC(=O)[O-])NC(=O)c1cccs1 ZINC000069837607 175658820 /nfs/dbraw/zinc/65/88/20/175658820.db2.gz KZWKKSBASMUNPN-ZETCQYMHSA-N -1 0 227.285 1.731 50 0 BDAARM C[C@@H]1CCCC[C@@H]1NC(=O)CSCC(=O)[O-] ZINC000003444817 176079427 /nfs/dbraw/zinc/07/94/27/176079427.db2.gz IUAOYMXHFMJGSV-BDAKNGLRSA-N -1 0 245.344 1.499 50 0 BDAARM C[C@@H]1CC[C@@H](CCC(=O)NCCCC(=O)[O-])O1 ZINC000237433595 176201796 /nfs/dbraw/zinc/20/17/96/176201796.db2.gz GJECXWUUZAIWLU-ZJUUUORDSA-N -1 0 243.303 1.315 50 0 BDAARM C[C@@H]1CO[C@H](c2ccccc2)CN1CC(=O)[O-] ZINC000265289674 176347936 /nfs/dbraw/zinc/34/79/36/176347936.db2.gz ZDAVURGEUUEMDE-PWSUYJOCSA-N -1 0 235.283 1.533 50 0 BDAARM C[C@@](O)(C(=O)[O-])c1ccccc1C(F)(F)F ZINC000040733748 176515698 /nfs/dbraw/zinc/51/56/98/176515698.db2.gz ALXYARRENNXGBT-VIFPVBQESA-N -1 0 234.173 1.998 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)CCC1CCCC1 ZINC000036966822 176601501 /nfs/dbraw/zinc/60/15/01/176601501.db2.gz OHIMNZRAWFDHET-SECBINFHSA-N -1 0 227.304 1.936 50 0 BDAARM C[C@H](CN(C)C(=O)c1ccc(F)cn1)C(=O)[O-] ZINC000228564843 176649139 /nfs/dbraw/zinc/64/91/39/176649139.db2.gz ABFMGCAITGEPAS-SSDOTTSWSA-N -1 0 240.234 1.013 50 0 BDAARM C[C@H]1CN(CC(=O)[O-])[C@H](c2ccccc2)CO1 ZINC000253433416 177244009 /nfs/dbraw/zinc/24/40/09/177244009.db2.gz WQJNHAJSBOGWED-JQWIXIFHSA-N -1 0 235.283 1.533 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095969929 177340294 /nfs/dbraw/zinc/34/02/94/177340294.db2.gz JIDVANHRAASINY-JQWIXIFHSA-N -1 0 247.294 1.756 50 0 BDAARM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166527 177377268 /nfs/dbraw/zinc/37/72/68/177377268.db2.gz DZLLPMGZWXRTEN-OIBJUYFYSA-N -1 0 219.240 1.979 50 0 BDAARM Cc1c(C(=O)[O-])sc2nnc(C(C)C)n12 ZINC000033503343 177574032 /nfs/dbraw/zinc/57/40/32/177574032.db2.gz WTHNWZIGPDZSON-UHFFFAOYSA-N -1 0 225.273 1.921 50 0 BDAARM CC(C)(C)c1nc(N)sc1C(=O)[O-] ZINC000062466979 322942785 /nfs/dbraw/zinc/94/27/85/322942785.db2.gz XJYYNTQWAOYIDN-UHFFFAOYSA-N -1 0 200.263 1.721 50 0 BDAARM CC[C@@H](C(=O)[O-])N1Cc2ccccc2NC(=O)C1 ZINC000570740053 323069303 /nfs/dbraw/zinc/06/93/03/323069303.db2.gz YILLVIGRQMJLPD-NSHDSACASA-N -1 0 248.282 1.304 50 0 BDAARM Cc1nc(=NCc2cc(C)nc(C)c2)s[n-]1 ZINC000571393065 323143321 /nfs/dbraw/zinc/14/33/21/323143321.db2.gz PMHJTBFBCGNLJN-UHFFFAOYSA-N -1 0 234.328 1.892 50 0 BDAARM CSc1ncc(C(=O)[O-])c(-c2cn[nH]c2)n1 ZINC000534650549 323157539 /nfs/dbraw/zinc/15/75/39/323157539.db2.gz OGOHCMWNPUXMJH-UHFFFAOYSA-N -1 0 236.256 1.287 50 0 BDAARM Cc1cc(Br)c([O-])c(C(N)=O)c1 ZINC000084072992 487994818 /nfs/dbraw/zinc/99/48/18/487994818.db2.gz VPEXBZVIRYBHNQ-UHFFFAOYSA-N -1 0 230.061 1.562 50 0 BDAARM CCOC(=O)c1nc(CC)[n-]c1C(=O)OCC ZINC000147757283 488056979 /nfs/dbraw/zinc/05/69/79/488056979.db2.gz OKGQPGIPGDEGHP-UHFFFAOYSA-N -1 0 240.259 1.326 50 0 BDAARM C=CCCC(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000085006749 488122080 /nfs/dbraw/zinc/12/20/80/488122080.db2.gz WLGFLSDIZQDXAE-RKDXNWHRSA-N -1 0 211.261 1.322 50 0 BDAARM COC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044750103 488126287 /nfs/dbraw/zinc/12/62/87/488126287.db2.gz FCJPYOSRYADVGB-UHFFFAOYSA-N -1 0 209.201 1.872 50 0 BDAARM Cn1nc(C(F)(F)F)c2cc(C(=O)[O-])cnc21 ZINC000217677198 490479909 /nfs/dbraw/zinc/47/99/09/490479909.db2.gz LMVMZKHGTGYNOR-UHFFFAOYSA-N -1 0 245.160 1.685 50 0 BDAARM CC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C ZINC000242273546 523891321 /nfs/dbraw/zinc/89/13/21/523891321.db2.gz YDPNFDRRXWZORH-DJLDLDEBSA-N -1 0 233.333 1.135 50 0 BDAARM C[C@@H]1CCC[C@@H](NC(=O)COCC(=O)[O-])[C@H]1C ZINC000242547894 524305977 /nfs/dbraw/zinc/30/59/77/524305977.db2.gz KXZFPZXUSZQUTH-KXUCPTDWSA-N -1 0 243.303 1.029 50 0 BDAARM CC(C)(C)/C=C\C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000492570270 527551780 /nfs/dbraw/zinc/55/17/80/527551780.db2.gz WIKFQZPYXSMJLF-JYESYGNLSA-N -1 0 239.315 1.912 50 0 BDAARM O=C([O-])CCCCNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000195549135 527583327 /nfs/dbraw/zinc/58/33/27/527583327.db2.gz NROVRJWVBIBZHY-ZJUUUORDSA-N -1 0 225.288 1.404 50 0 BDAARM CCOc1ccc(/C=C(\NC(C)=O)C(=O)[O-])cc1 ZINC000005019588 636963686 /nfs/dbraw/zinc/96/36/86/636963686.db2.gz LSNPIFRBNKQULM-WQLSENKSSA-N -1 0 249.266 1.647 50 0 BDAARM C=CCNC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000001685244 711457447 /nfs/dbraw/zinc/45/74/47/711457447.db2.gz LEBHALSQCBVOKB-NOZJJQNGSA-N -1 0 239.315 1.816 50 0 BDAARM COC(=O)[C@@H]1CCN1c1ccccc1C(=O)[O-] ZINC000725345400 711664181 /nfs/dbraw/zinc/66/41/81/711664181.db2.gz OIOUYELDHZTSEI-JTQLQIEISA-N -1 0 235.239 1.137 50 0 BDAARM O=C([O-])c1cncc(-c2cccc3c2OCC3)n1 ZINC000534661404 712123887 /nfs/dbraw/zinc/12/38/87/712123887.db2.gz NRFDBGOLDJWFDB-UHFFFAOYSA-N -1 0 242.234 1.777 50 0 BDAARM CC(C)c1onc(-c2c[nH]cn2)c1C(=O)[O-] ZINC000020440958 538931757 /nfs/dbraw/zinc/93/17/57/538931757.db2.gz IKSHRUVZAZSGJY-UHFFFAOYSA-N -1 0 221.216 1.886 50 0 BDAARM Cc1cc2cccnc2c(S(=O)(=O)[O-])c1 ZINC000071773052 178216863 /nfs/dbraw/zinc/21/68/63/178216863.db2.gz HRGNZJKPANLKAS-UHFFFAOYSA-N -1 0 223.253 1.790 50 0 BDAARM Cc1ccc(/C=C/C(=O)NCCC(=O)[O-])c(C)c1 ZINC000036973309 178354001 /nfs/dbraw/zinc/35/40/01/178354001.db2.gz CDKGFPBWLHOVSE-AATRIKPKSA-N -1 0 247.294 1.908 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cccc(F)c1C ZINC000043321404 346831703 /nfs/dbraw/zinc/83/17/03/346831703.db2.gz SQFKIWBABMNOLT-UHFFFAOYSA-N -1 0 235.218 1.721 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccs1 ZINC000000110084 342675023 /nfs/dbraw/zinc/67/50/23/342675023.db2.gz IILFMWQTZZFXTM-ZETCQYMHSA-N -1 0 225.269 1.437 50 0 BDAARM Cc1cc(C)c2c(c1)c(=O)c(C(=O)[O-])cn2C ZINC000000121085 342675381 /nfs/dbraw/zinc/67/53/81/342675381.db2.gz MTFWFBGIIMPBAE-UHFFFAOYSA-N -1 0 231.251 1.854 50 0 biogenic BDAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)[O-])ccc12 ZINC000000123791 342675786 /nfs/dbraw/zinc/67/57/86/342675786.db2.gz UDYRIQUHULSYII-MRVPVSSYSA-N -1 0 248.234 1.953 50 0 biogenic,in-vitro BDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2F)N1 ZINC000000135105 342676366 /nfs/dbraw/zinc/67/63/66/342676366.db2.gz XGKPPDQTYRFBAP-IUCAKERBSA-N -1 0 227.260 1.614 50 0 BDAARM Cc1cccc(CSc2n[nH]c(=O)[n-]c2=O)c1 ZINC000000138694 342676591 /nfs/dbraw/zinc/67/65/91/342676591.db2.gz RULXQVJLHLQZKJ-UHFFFAOYSA-N -1 0 249.295 1.059 50 0 BDAARM O=C([O-])c1cc2ncc(Br)cn2n1 ZINC000000255468 342681397 /nfs/dbraw/zinc/68/13/97/342681397.db2.gz WDICXYMIEJAABR-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM Cn1c2ccccc2nc1SCC(=O)[O-] ZINC000000300335 342682655 /nfs/dbraw/zinc/68/26/55/342682655.db2.gz MCMIGLPXWPOCTD-UHFFFAOYSA-N -1 0 222.269 1.750 50 0 BDAARM CCOc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000000317464 342683361 /nfs/dbraw/zinc/68/33/61/342683361.db2.gz ZKFRIZLJBPRXKI-VIFPVBQESA-N -1 0 249.266 1.523 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCCC1 ZINC000000371574 342685434 /nfs/dbraw/zinc/68/54/34/342685434.db2.gz MFFWEFPNGDBSLN-UWVGGRQHSA-N -1 0 223.272 1.276 50 0 BDAARM COc1ccc2[nH]c(C(=O)[O-])cc2c1OC ZINC000000489270 342688805 /nfs/dbraw/zinc/68/88/05/342688805.db2.gz OJLHCDSLZDJBKE-UHFFFAOYSA-N -1 0 221.212 1.883 50 0 biogenic BDAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc(O)c2)N1 ZINC000000053467 342671613 /nfs/dbraw/zinc/67/16/13/342671613.db2.gz FJKZSYINEIIGCM-IUCAKERBSA-N -1 0 225.269 1.180 50 0 BDAARM Cn1cc(C(=O)[O-])c(=O)c2ccc(Cl)cc21 ZINC000000864968 342693842 /nfs/dbraw/zinc/69/38/42/342693842.db2.gz UEZCMDFHCHWUFM-UHFFFAOYSA-N -1 0 237.642 1.890 50 0 BDAARM O=C([O-])c1cc(=O)c2cc(F)ccc2[nH]1 ZINC000001420704 342700395 /nfs/dbraw/zinc/70/03/95/342700395.db2.gz RHDREWQIVYIOGH-UHFFFAOYSA-N -1 0 207.160 1.365 50 0 BDAARM O=C([O-])c1ccc(-c2ncccn2)cc1 ZINC000001436126 342700988 /nfs/dbraw/zinc/70/09/88/342700988.db2.gz WNDAEOTYLPWXPN-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)[O-])ccc12 ZINC000001782239 342712469 /nfs/dbraw/zinc/71/24/69/342712469.db2.gz UDYRIQUHULSYII-QMMMGPOBSA-N -1 0 248.234 1.953 50 0 biogenic,in-vitro BDAARM O=C([O-])[C@H]1CC(=O)c2ccccc2S1 ZINC000004099959 342742315 /nfs/dbraw/zinc/74/23/15/342742315.db2.gz ITXRPSNBXBYVSS-SECBINFHSA-N -1 0 208.238 1.818 50 0 BDAARM CCS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000004206494 342744251 /nfs/dbraw/zinc/74/42/51/342744251.db2.gz AHYZXIUNHHXCHO-UHFFFAOYSA-N -1 0 214.242 1.178 50 0 BDAARM O=C([O-])c1cc(=O)n2c(nc3ccccc32)s1 ZINC000004228097 342744889 /nfs/dbraw/zinc/74/48/89/342744889.db2.gz GDAOQQYGWKOPJM-UHFFFAOYSA-N -1 0 246.247 1.607 50 0 BDAARM O=c1cc([O-])c2cc(Br)ccc2[nH]1 ZINC000004293877 342746247 /nfs/dbraw/zinc/74/62/47/342746247.db2.gz DQFPMEMMMGZBKU-UHFFFAOYSA-N -1 0 240.056 1.996 50 0 BDAARM O=C([O-])c1cc(=O)c2c(O)cccc2o1 ZINC000004300832 342746436 /nfs/dbraw/zinc/74/64/36/342746436.db2.gz WXAWTEGETBBUTP-UHFFFAOYSA-N -1 0 206.153 1.197 50 0 BDAARM O=C([O-])c1cccc(Cn2ccnc2)c1 ZINC000004384466 342747469 /nfs/dbraw/zinc/74/74/69/342747469.db2.gz IGQPNWMJMSQCKW-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM O=C([O-])[C@@H](O)c1cccc(Br)c1 ZINC000002511051 342721768 /nfs/dbraw/zinc/72/17/68/342721768.db2.gz CBEMVOYIUQADIA-ZETCQYMHSA-N -1 0 231.045 1.567 50 0 BDAARM O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)CCN2 ZINC000002537081 342723316 /nfs/dbraw/zinc/72/33/16/342723316.db2.gz YLBIZNHNPLOPDX-YFKPBYRVSA-N -1 0 235.165 1.500 50 0 BDAARM O=C([O-])[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000002585385 342726052 /nfs/dbraw/zinc/72/60/52/342726052.db2.gz FQJZEDBSHBNUMD-NTSWFWBYSA-N -1 0 212.167 1.819 50 0 BDAARM CC(C)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000038025532 538964817 /nfs/dbraw/zinc/96/48/17/538964817.db2.gz SPBVTRRECKJXJO-VIFPVBQESA-N -1 0 213.277 1.498 50 0 BDAARM CC(C)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000003121463 342730654 /nfs/dbraw/zinc/73/06/54/342730654.db2.gz MXINFBPZEKFXRI-NSHDSACASA-N -1 0 235.283 1.975 50 0 BDAARM Cc1[nH]nc(C(=O)[O-])c1Br ZINC000004771844 342751836 /nfs/dbraw/zinc/75/18/36/342751836.db2.gz XIZPNSLYWMMPNI-UHFFFAOYSA-N -1 0 205.011 1.179 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc(Cl)cc1 ZINC000004943149 342754692 /nfs/dbraw/zinc/75/46/92/342754692.db2.gz GLIXWOIQQBKVGQ-UHFFFAOYSA-N -1 0 237.646 1.927 50 0 BDAARM Cc1cccc2c(C)cc(=O)n(CC(=O)[O-])c12 ZINC000004992630 342755915 /nfs/dbraw/zinc/75/59/15/342755915.db2.gz YYXUCGMHRWHUQW-UHFFFAOYSA-N -1 0 231.251 1.703 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)NCc1ccccn1 ZINC000004748297 342751573 /nfs/dbraw/zinc/75/15/73/342751573.db2.gz WQBFYJWMZVEVMO-VIFPVBQESA-N -1 0 236.271 1.199 50 0 BDAARM C[C@@H](C(=O)[O-])c1n[nH]c(=O)c2ccccc21 ZINC000008677411 342802082 /nfs/dbraw/zinc/80/20/82/342802082.db2.gz AACAKXDXYHEHDJ-ZCFIWIBFSA-N -1 0 218.212 1.524 50 0 BDAARM CN1CCCC(=C([O-])c2ccncc2)C1=O ZINC000006658269 342780668 /nfs/dbraw/zinc/78/06/68/342780668.db2.gz CTTORJWIIBULRF-JTQLQIEISA-N -1 0 218.256 1.133 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)[O-] ZINC000006882666 342785667 /nfs/dbraw/zinc/78/56/67/342785667.db2.gz YGWZXQOYEBWUTH-RQJHMYQMSA-N -1 0 233.239 1.419 50 0 BDAARM O=C([O-])CNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000003060741 342788850 /nfs/dbraw/zinc/78/88/50/342788850.db2.gz ZEPXWXAJIBXPNT-ZZXKWVIFSA-N -1 0 239.658 1.554 50 0 BDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCO1 ZINC000000367883 178442504 /nfs/dbraw/zinc/44/25/04/178442504.db2.gz GKSYTSXHEUFQLG-NSHDSACASA-N -1 0 249.266 1.811 50 0 BDAARM CC(C)n1cnnc1SCC(=O)[O-] ZINC000009738470 342826408 /nfs/dbraw/zinc/82/64/08/342826408.db2.gz RBJJNVSKCASWSY-UHFFFAOYSA-N -1 0 201.251 1.036 50 0 BDAARM Cc1nn(CC(=O)[O-])c2ncc(C)cc12 ZINC000012351639 342849533 /nfs/dbraw/zinc/84/95/33/342849533.db2.gz WDXWAQTUZANGII-UHFFFAOYSA-N -1 0 205.217 1.133 50 0 BDAARM C[NH+](C)CCOc1ccc(Cl)cc1C(=O)[O-] ZINC000011886544 342843994 /nfs/dbraw/zinc/84/39/94/342843994.db2.gz NIQBWPASODRYKV-UHFFFAOYSA-N -1 0 243.690 1.979 50 0 BDAARM CC(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000011891217 342844279 /nfs/dbraw/zinc/84/42/79/342844279.db2.gz KXYNKCSURBGGRR-SECBINFHSA-N -1 0 213.277 1.356 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000013170345 342864656 /nfs/dbraw/zinc/86/46/56/342864656.db2.gz GAMZTUSRQTWDPN-SNVBAGLBSA-N -1 0 225.288 1.500 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C ZINC000059881424 342874150 /nfs/dbraw/zinc/87/41/50/342874150.db2.gz YMXDXNIJWBUTAM-RKDXNWHRSA-N -1 0 213.277 1.212 50 0 BDAARM O=C([O-])c1cc2cc3c(cc2nn1)OCCCO3 ZINC000014201702 342878030 /nfs/dbraw/zinc/87/80/30/342878030.db2.gz YGKPRRBUMPYMQQ-UHFFFAOYSA-N -1 0 246.222 1.489 50 0 BDAARM Nc1ccc(-n2cccn2)cc1C(=O)[O-] ZINC000014988545 342890277 /nfs/dbraw/zinc/89/02/77/342890277.db2.gz VYVHTXFABCPSLO-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM O=c1[nH]c2ccccc2nc1-c1n[n-]c(=S)o1 ZINC000015830627 342901812 /nfs/dbraw/zinc/90/18/12/342901812.db2.gz GEBYPNYIFVTDPL-UHFFFAOYSA-N -1 0 246.251 1.262 50 0 BDAARM O=C([O-])[C@H]1CC(=O)Nc2ccc(F)cc21 ZINC000019088989 342941290 /nfs/dbraw/zinc/94/12/90/342941290.db2.gz PXJPYWRFHOWZQA-ZETCQYMHSA-N -1 0 209.176 1.336 50 0 BDAARM O=C([O-])[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000019482574 342949546 /nfs/dbraw/zinc/94/95/46/342949546.db2.gz ZELXUMDRQDSOPX-QMMMGPOBSA-N -1 0 229.301 1.163 50 0 BDAARM O=C([O-])c1ccnc(NC[C@H]2CCCO2)c1 ZINC000019845276 342959982 /nfs/dbraw/zinc/95/99/82/342959982.db2.gz CRDJTFDOELBGNW-SECBINFHSA-N -1 0 222.244 1.371 50 0 BDAARM COC(=O)Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000020153762 342972093 /nfs/dbraw/zinc/97/20/93/342972093.db2.gz XNVYDOIXJOVBJN-LLVKDONJSA-N -1 0 246.266 1.588 50 0 BDAARM O=C([O-])c1nc2ccc(Cl)cn2c1F ZINC000020354506 342983128 /nfs/dbraw/zinc/98/31/28/342983128.db2.gz ALODLZLCVTUQQF-UHFFFAOYSA-N -1 0 214.583 1.825 50 0 BDAARM O=C([O-])c1nc(-c2cccnc2)cs1 ZINC000020444908 342985737 /nfs/dbraw/zinc/98/57/37/342985737.db2.gz QJCNAFLUWZMEBE-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM COC(=O)C=C([O-])c1cc(C(C)C)[nH]n1 ZINC000020446810 342985897 /nfs/dbraw/zinc/98/58/97/342985897.db2.gz OULXTSFDCAUNRR-UHFFFAOYSA-N -1 0 210.233 1.279 50 0 BDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(C)cc1 ZINC000022129943 343041132 /nfs/dbraw/zinc/04/11/32/343041132.db2.gz NGKNKSOOFHUJQF-AAEUAGOBSA-N -1 0 247.294 1.989 50 0 BDAARM Cc1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000053898 187244300 /nfs/dbraw/zinc/24/43/00/187244300.db2.gz GTNDLSMAJWWVCH-AATRIKPKSA-N -1 0 205.213 1.574 50 0 BDAARM CC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000004520064 187246688 /nfs/dbraw/zinc/24/66/88/187246688.db2.gz JTQVJANJULCLHQ-UHFFFAOYSA-N -1 0 223.228 1.417 50 0 BDAARM CC(C)(C)OC(=O)NCc1nc(C(=O)[O-])c[nH]1 ZINC000032099173 343229285 /nfs/dbraw/zinc/22/92/85/343229285.db2.gz BTQYGWFZYNSARA-UHFFFAOYSA-N -1 0 241.247 1.133 50 0 BDAARM O=C([O-])c1n[nH]c2c1CCc1ccccc1-2 ZINC000008739131 187249990 /nfs/dbraw/zinc/24/99/90/187249990.db2.gz VWDJLWDAXLFYCO-UHFFFAOYSA-N -1 0 214.224 1.874 50 0 BDAARM Cc1nc(Cl)c(Br)c(=O)[n-]1 ZINC000032911341 343244321 /nfs/dbraw/zinc/24/43/21/343244321.db2.gz DKYJKLCIGBWGMF-UHFFFAOYSA-N -1 0 223.457 1.907 50 0 BDAARM Cc1sc2ncc(C(=O)[O-])c(=O)n2c1C ZINC000033414648 343253421 /nfs/dbraw/zinc/25/34/21/343253421.db2.gz NTILPFUDSBFNQU-UHFFFAOYSA-N -1 0 224.241 1.071 50 0 BDAARM O=C([O-])c1cc(Cl)cc2c1OCC(=O)N2 ZINC000034350080 343268362 /nfs/dbraw/zinc/26/83/62/343268362.db2.gz OHIMCPSGEWFLBU-UHFFFAOYSA-N -1 0 227.603 1.369 50 0 BDAARM Nc1nnc([C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000618755 343269906 /nfs/dbraw/zinc/26/99/06/343269906.db2.gz OCGXJHZVJKDUMY-WDSKDSINSA-N -1 0 227.289 1.479 50 0 BDAARM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])[C@@H]2CC[C@H]1C2 ZINC000034448843 343271276 /nfs/dbraw/zinc/27/12/76/343271276.db2.gz IFAMSTPTNRJBRG-HRDYMLBCSA-N -1 0 241.287 1.859 50 0 BDAARM CC(=O)Nc1ncc(SCC(=O)[O-])s1 ZINC000013490934 187251315 /nfs/dbraw/zinc/25/13/15/187251315.db2.gz VUBHPDXNTUPWHT-UHFFFAOYSA-N -1 0 232.286 1.278 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)[O-])OC1 ZINC000034564884 343275069 /nfs/dbraw/zinc/27/50/69/343275069.db2.gz NROSRTMHTJHLLE-SFYZADRCSA-N -1 0 245.275 1.143 50 0 BDAARM O=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000034957527 343281938 /nfs/dbraw/zinc/28/19/38/343281938.db2.gz AXDRYXSIVKHKKA-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM O=C([O-])c1cccc(C(=O)N2CCCC2)n1 ZINC000036756657 343323723 /nfs/dbraw/zinc/32/37/23/343323723.db2.gz VHRINNVKMJWRHB-UHFFFAOYSA-N -1 0 220.228 1.016 50 0 BDAARM Cn1[nH]c2c(cnc3cc(C(=O)[O-])ccc23)c1=O ZINC000036047642 343307442 /nfs/dbraw/zinc/30/74/42/343307442.db2.gz YTLZJYQVDMEIIB-UHFFFAOYSA-N -1 0 243.222 1.113 50 0 BDAARM CCCc1c(C(=O)[O-])[nH]c(C)c1C(=O)OC ZINC000036379589 343317410 /nfs/dbraw/zinc/31/74/10/343317410.db2.gz XFNHFVZKCXKKFV-UHFFFAOYSA-N -1 0 225.244 1.760 50 0 BDAARM CC(C)(C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000037934486 343362006 /nfs/dbraw/zinc/36/20/06/343362006.db2.gz CPIAGHCCEIMGAL-UHFFFAOYSA-N -1 0 222.240 1.820 50 0 BDAARM Cc1c[nH]c(=O)n1-c1cccc(C(=O)[O-])c1 ZINC000038342108 343374213 /nfs/dbraw/zinc/37/42/13/343374213.db2.gz MIMARCAQTONORI-UHFFFAOYSA-N -1 0 218.212 1.172 50 0 BDAARM O=C([O-])c1n[nH]c(C2CC2)c1Br ZINC000038342469 343374224 /nfs/dbraw/zinc/37/42/24/343374224.db2.gz AIIBDINTMMYKKB-UHFFFAOYSA-N -1 0 231.049 1.748 50 0 BDAARM O=C([O-])c1ccccc1NS(=O)(=O)C1CC1 ZINC000038478425 343375154 /nfs/dbraw/zinc/37/51/54/343375154.db2.gz FQDKWAZAHBVUAD-UHFFFAOYSA-N -1 0 241.268 1.289 50 0 BDAARM CCOc1cc(F)c(CC(=O)[O-])c(F)c1 ZINC000038529867 343375927 /nfs/dbraw/zinc/37/59/27/343375927.db2.gz HSVLEBOXMICANZ-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM CCOc1c(F)cc(CC(=O)[O-])cc1F ZINC000038529865 343375982 /nfs/dbraw/zinc/37/59/82/343375982.db2.gz PVRHYUNNDFVJHY-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM C[C@H](CCC(=O)[O-])NC(=O)C1CCCC1 ZINC000069837798 187258405 /nfs/dbraw/zinc/25/84/05/187258405.db2.gz FOLFARSSFPJKJM-MRVPVSSYSA-N -1 0 213.277 1.546 50 0 BDAARM CC(=O)Nc1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000034936123 187257478 /nfs/dbraw/zinc/25/74/78/187257478.db2.gz ZPBKDFIGECOWFC-UHFFFAOYSA-N -1 0 245.238 1.529 50 0 BDAARM CN1c2ccc(C(=O)[O-])cc2C(C)(C)C1=O ZINC000041628084 343422278 /nfs/dbraw/zinc/42/22/78/343422278.db2.gz PWJVVMYLEYLDLK-UHFFFAOYSA-N -1 0 219.240 1.639 50 0 BDAARM O=C([O-])c1cccnc1I ZINC000039243629 343387451 /nfs/dbraw/zinc/38/74/51/343387451.db2.gz KEYRTRGLKSAGJN-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM O=C([O-])c1cc2cc(F)ccc2oc1=O ZINC000039281219 343387727 /nfs/dbraw/zinc/38/77/27/343387727.db2.gz IKANRIZTFUIWLU-UHFFFAOYSA-N -1 0 208.144 1.630 50 0 BDAARM O=C([O-])c1nnc2c(Cl)cc(Cl)cn12 ZINC000039947452 343393631 /nfs/dbraw/zinc/39/36/31/343393631.db2.gz IDYNUTOANPAAMF-UHFFFAOYSA-N -1 0 232.026 1.734 50 0 BDAARM O=c1nc(-c2cnccn2)[n-]c2ccsc21 ZINC000048622928 343395432 /nfs/dbraw/zinc/39/54/32/343395432.db2.gz FILRDUSQFBTUKR-UHFFFAOYSA-N -1 0 230.252 1.442 50 0 BDAARM CC(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000041234584 343417262 /nfs/dbraw/zinc/41/72/62/343417262.db2.gz XQJVFATYXKRTCM-LLVKDONJSA-N -1 0 221.256 1.647 50 0 BDAARM CCSc1n[nH]c(Br)n1 ZINC000042383977 343435652 /nfs/dbraw/zinc/43/56/52/343435652.db2.gz LDCYJBHMHVANSU-UHFFFAOYSA-N -1 0 208.084 1.679 50 0 BDAARM O=C([O-])C(=O)c1ccc(C(F)(F)F)cc1 ZINC000043463486 343474113 /nfs/dbraw/zinc/47/41/13/343474113.db2.gz CEUHHKLWSQKEFI-UHFFFAOYSA-N -1 0 218.130 1.973 50 0 BDAARM O=C([O-])c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000043671743 343480292 /nfs/dbraw/zinc/48/02/92/343480292.db2.gz HEUHAIIRERZBGM-UHFFFAOYSA-N -1 0 233.198 1.675 50 0 BDAARM Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC000047212311 343559123 /nfs/dbraw/zinc/55/91/23/343559123.db2.gz VROTWSPSBWKNQJ-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM O=C([O-])c1c[nH]c(=O)c(-c2ccccc2)c1 ZINC000047211860 343559305 /nfs/dbraw/zinc/55/93/05/343559305.db2.gz UKWVOBNURAYUJS-UHFFFAOYSA-N -1 0 215.208 1.740 50 0 BDAARM O=C([O-])c1cc(=O)[nH]c2cc(F)ccc21 ZINC000047860009 343567183 /nfs/dbraw/zinc/56/71/83/343567183.db2.gz JNJDJHAPAYHLSZ-UHFFFAOYSA-N -1 0 207.160 1.365 50 0 BDAARM CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000082525517 187266277 /nfs/dbraw/zinc/26/62/77/187266277.db2.gz RSTRSGPYIINOTA-JTQLQIEISA-N -1 0 225.219 1.396 50 0 BDAARM Cc1nc(C)c(C(=O)NCCCC(=O)[O-])s1 ZINC000020724772 349824580 /nfs/dbraw/zinc/82/45/80/349824580.db2.gz UNNJKQQSGRFTSH-UHFFFAOYSA-N -1 0 242.300 1.355 50 0 BDAARM O=C([O-])c1cnn(C[C@H]2CCCCO2)c1 ZINC000068954951 537803850 /nfs/dbraw/zinc/80/38/50/537803850.db2.gz GULMLEBYAPGFCC-SECBINFHSA-N -1 0 210.233 1.150 50 0 BDAARM CCn1cc(Br)cc1C(=O)[O-] ZINC000047840155 187269584 /nfs/dbraw/zinc/26/95/84/187269584.db2.gz UXFLIFGDKJYOSY-UHFFFAOYSA-N -1 0 218.050 1.969 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000013171224 343772328 /nfs/dbraw/zinc/77/23/28/343772328.db2.gz JENQAOIBEHEDHI-MNOVXSKESA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000013171223 343772432 /nfs/dbraw/zinc/77/24/32/343772432.db2.gz JENQAOIBEHEDHI-GHMZBOCLSA-N -1 0 237.299 1.666 50 0 BDAARM CC(=O)Oc1[n-]c2nc(=O)sc-2c(C)c1C ZINC000004710408 343973701 /nfs/dbraw/zinc/97/37/01/343973701.db2.gz PANCSZMILMZGBK-UHFFFAOYSA-N -1 0 238.268 1.527 50 0 BDAARM C/C=C(/C)C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000097035464 187290099 /nfs/dbraw/zinc/29/00/99/187290099.db2.gz VNGRLMWMWKEERB-OQFOIZHKSA-N -1 0 225.288 1.666 50 0 BDAARM Cc1ccc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000097036759 187289748 /nfs/dbraw/zinc/28/97/48/187289748.db2.gz ZDJNLCACLQAUIL-VXGBXAGGSA-N -1 0 247.294 1.374 50 0 BDAARM CC(C)(C)OC(=O)Cn1cccc1C(=O)[O-] ZINC000147208522 344372904 /nfs/dbraw/zinc/37/29/04/344372904.db2.gz FDHJVIGMEHIAIK-UHFFFAOYSA-N -1 0 225.244 1.528 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](c2ccccc2F)N1 ZINC000000135099 344562151 /nfs/dbraw/zinc/56/21/51/344562151.db2.gz XGKPPDQTYRFBAP-BDAKNGLRSA-N -1 0 227.260 1.614 50 0 BDAARM CCCn1c(=N)n(CC(=O)[O-])c2ccccc21 ZINC000000274826 344673530 /nfs/dbraw/zinc/67/35/30/344673530.db2.gz KDYGYWQAKAIKPR-UHFFFAOYSA-N -1 0 233.271 1.417 50 0 BDAARM Cc1ccc(NC(=O)CC(=O)[O-])c(C)c1 ZINC000009304537 178722117 /nfs/dbraw/zinc/72/21/17/178722117.db2.gz BIJQKKGPZNKXKX-UHFFFAOYSA-N -1 0 207.229 1.717 50 0 BDAARM O=C([O-])Cc1ccc(=O)[nH]c1C(F)(F)F ZINC000238692538 345111513 /nfs/dbraw/zinc/11/15/13/345111513.db2.gz SXZOPCKQYQAACZ-UHFFFAOYSA-N -1 0 221.134 1.433 50 0 BDAARM CC(=O)OC[C@@H]1CC=C(C)C[C@@H]1C(=O)[O-] ZINC000002167193 187301878 /nfs/dbraw/zinc/30/18/78/187301878.db2.gz VNASBZVBLIPEBK-UWVGGRQHSA-N -1 0 212.245 1.607 50 0 BDAARM CC(C)N1C(=O)C2(CCCC2)[C@@H]1C(=O)[O-] ZINC000169676656 187303164 /nfs/dbraw/zinc/30/31/64/187303164.db2.gz FMPDHZXTUHPQAG-QMMMGPOBSA-N -1 0 211.261 1.251 50 0 BDAARM Cc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000020475899 179001157 /nfs/dbraw/zinc/00/11/57/179001157.db2.gz KPWQQJVVMNLBEI-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000011891267 179008426 /nfs/dbraw/zinc/00/84/26/179008426.db2.gz VHZKZWLSVHAKOZ-GFCCVEGCSA-N -1 0 247.294 1.932 50 0 BDAARM Cc1cccc(C(=O)NC2(C(=O)[O-])CC2)c1C ZINC000095961393 179015191 /nfs/dbraw/zinc/01/51/91/179015191.db2.gz CLXVOPNHAJWZPN-UHFFFAOYSA-N -1 0 233.267 1.650 50 0 BDAARM Cc1cccc(C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000037412172 179023547 /nfs/dbraw/zinc/02/35/47/179023547.db2.gz BRISBAGGLIBULI-SECBINFHSA-N -1 0 221.256 1.588 50 0 BDAARM Cc1cccc(CC(=O)N[C@H](C)CCC(=O)[O-])c1 ZINC000070309732 179052581 /nfs/dbraw/zinc/05/25/81/179052581.db2.gz LQINVBHJJQVBKH-LLVKDONJSA-N -1 0 249.310 1.907 50 0 BDAARM Cc1cccc(NC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000005388700 179134199 /nfs/dbraw/zinc/13/41/99/179134199.db2.gz BELYOKXUIQMXES-QMMMGPOBSA-N -1 0 222.244 1.590 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1cccc2ncccc21 ZINC000003158374 346666328 /nfs/dbraw/zinc/66/63/28/346666328.db2.gz WGXWYEQWSQSOSG-VOTSOKGWSA-N -1 0 242.234 1.814 50 0 BDAARM Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071280738 179141338 /nfs/dbraw/zinc/14/13/38/179141338.db2.gz SYPYJNAYWUJYMG-ZJUUUORDSA-N -1 0 248.282 1.685 50 0 BDAARM Cc1ccc(Nc2nncc(=O)[n-]2)c(C)c1 ZINC000008744307 346686692 /nfs/dbraw/zinc/68/66/92/346686692.db2.gz IPHVYGWPUOIVMF-UHFFFAOYSA-N -1 0 216.244 1.938 50 0 BDAARM Cc1ccc(-c2nc(C)c(C(=O)[O-])c(=O)[nH]2)o1 ZINC000020252588 347149726 /nfs/dbraw/zinc/14/97/26/347149726.db2.gz SNVLRHYJZOWBSY-UHFFFAOYSA-N -1 0 234.211 1.345 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](c2cccc3[nH]ccc32)N1 ZINC000013572916 362786114 /nfs/dbraw/zinc/78/61/14/362786114.db2.gz ROGPMJUBRBCGPW-MNOVXSKESA-N -1 0 248.307 1.956 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)NC1CCCCC1 ZINC000018249687 347289463 /nfs/dbraw/zinc/28/94/63/347289463.db2.gz KMBYRJXJHWHLDV-SECBINFHSA-N -1 0 227.304 1.936 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000195551316 347641871 /nfs/dbraw/zinc/64/18/71/347641871.db2.gz YJIFMIDCSSZDJK-IVZWLZJFSA-N -1 0 249.266 1.664 50 0 BDAARM Cc1ccccc1C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000005009761 179289635 /nfs/dbraw/zinc/28/96/35/179289635.db2.gz WFWVINOHIVDSEV-JTQLQIEISA-N -1 0 222.240 1.713 50 0 BDAARM Cc1ccccc1NC(=O)N[C@H](C)C(=O)[O-] ZINC000005355064 179300269 /nfs/dbraw/zinc/30/02/69/179300269.db2.gz VSANNMBOISYRFO-MRVPVSSYSA-N -1 0 222.244 1.590 50 0 BDAARM Cc1ccccc1N1CC[C@H](C(=O)[O-])C1=O ZINC000002520436 179296455 /nfs/dbraw/zinc/29/64/55/179296455.db2.gz VAGVPHQLRWQBBN-VIFPVBQESA-N -1 0 219.240 1.433 50 0 BDAARM Cc1ccccc1NC(=O)CCC(=O)[O-] ZINC000000065323 179297820 /nfs/dbraw/zinc/29/78/20/179297820.db2.gz JGLMJUORSRRINV-UHFFFAOYSA-N -1 0 207.229 1.798 50 0 BDAARM Cc1cccnc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000051791769 179363086 /nfs/dbraw/zinc/36/30/86/179363086.db2.gz QIETYEDEABXUNN-UHFFFAOYSA-N -1 0 248.282 1.517 50 0 BDAARM Cc1cnn(-c2ccc(C(=O)[O-])cc2)c1 ZINC000032625191 179714181 /nfs/dbraw/zinc/71/41/81/179714181.db2.gz UVCLOJFIHCHOLB-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM CC(=O)N[C@@H](CCCc1ccccc1)C(=O)[O-] ZINC000001570994 190971956 /nfs/dbraw/zinc/97/19/56/190971956.db2.gz NATYAPACRIEJOH-LBPRGKRZSA-N -1 0 235.283 1.599 50 0 BDAARM Cc1n[nH]c(C)c1Cc1c(C)onc1C(=O)[O-] ZINC000004944074 179826764 /nfs/dbraw/zinc/82/67/64/179826764.db2.gz CCSWELOITWWLFL-UHFFFAOYSA-N -1 0 235.243 1.612 50 0 BDAARM C(=CN=Nc1nnn[n-]1)Cc1ccccc1 ZINC000002771351 350082704 /nfs/dbraw/zinc/08/27/04/350082704.db2.gz QBWXSGSAMQGELO-MPXNMPGESA-N -1 0 214.232 1.311 50 0 BDAARM Cc1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000100943246 180060090 /nfs/dbraw/zinc/06/00/90/180060090.db2.gz YKDLBIFFWPSAIV-UHFFFAOYSA-N -1 0 226.239 1.393 50 0 BDAARM Cc1nc(=O)c2sc3ncccc3c2[n-]1 ZINC000021774842 180074323 /nfs/dbraw/zinc/07/43/23/180074323.db2.gz VNYGKGVVYRQCCL-UHFFFAOYSA-N -1 0 217.253 1.841 50 0 BDAARM C[C@@H]1CC/C(=C/C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000390832652 350132122 /nfs/dbraw/zinc/13/21/22/350132122.db2.gz YMSJQPORZATALT-UEQOSDTHSA-N -1 0 237.299 1.666 50 0 BDAARM Cc1nc2n(n1)[C@@H](c1ccco1)CC(C(=O)[O-])=N2 ZINC000019962527 180114453 /nfs/dbraw/zinc/11/44/53/180114453.db2.gz ZWIZRQWXHDAFCB-MRVPVSSYSA-N -1 0 246.226 1.163 50 0 BDAARM Cc1nc2nc(C(=O)[O-])cc(C(C)(C)C)n2n1 ZINC000004975448 180114525 /nfs/dbraw/zinc/11/45/25/180114525.db2.gz AUHONFBDHGEDQU-UHFFFAOYSA-N -1 0 234.259 1.428 50 0 BDAARM Cc1ncc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000020443227 180135762 /nfs/dbraw/zinc/13/57/62/180135762.db2.gz BECLGVAKEOAIAW-UHFFFAOYSA-N -1 0 206.123 1.502 50 0 BDAARM Cc1nc2[nH]cnn2c(=O)c1CCC(C)C ZINC000101458483 180116051 /nfs/dbraw/zinc/11/60/51/180116051.db2.gz KYLXMTPKUDCFPC-UHFFFAOYSA-N -1 0 220.276 1.727 50 0 BDAARM O=Cc1cnc(-c2ccc(C(=O)[O-])s2)cn1 ZINC000725261139 538085606 /nfs/dbraw/zinc/08/56/06/538085606.db2.gz PIEOREYQIKBKGT-UHFFFAOYSA-N -1 0 234.236 1.716 50 0 BDAARM Cc1nccn1Cc1ccccc1C(=O)[O-] ZINC000019735637 180269391 /nfs/dbraw/zinc/26/93/91/180269391.db2.gz XNOSBUCGOSKJTR-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM O=C([O-])[C@H]1NC(=O)C[C@H]1c1cccc(Cl)c1 ZINC000040449244 350364980 /nfs/dbraw/zinc/36/49/80/350364980.db2.gz IGCXWZBBWWUORU-WPRPVWTQSA-N -1 0 239.658 1.397 50 0 BDAARM Cc1nn(Cc2ccc(C(=O)[O-])o2)c(C)c1N ZINC000047474180 180391466 /nfs/dbraw/zinc/39/14/66/180391466.db2.gz LBRLANARHJMRKQ-UHFFFAOYSA-N -1 0 235.243 1.422 50 0 BDAARM Cc1nnc(-c2ccc(C(=O)[O-])cc2)n1C ZINC000061811280 180394578 /nfs/dbraw/zinc/39/45/78/180394578.db2.gz HTBDTXFBBBIGPI-UHFFFAOYSA-N -1 0 217.228 1.489 50 0 BDAARM Cc1nn(CCC(=O)[O-])c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000195112 180387414 /nfs/dbraw/zinc/38/74/14/180387414.db2.gz DTKIYBONEQLVAK-PRHODGIISA-N -1 0 234.299 1.962 50 0 BDAARM Cc1ccc(NC(=O)/C=C\C(=O)[O-])cc1F ZINC000005363796 191122457 /nfs/dbraw/zinc/12/24/57/191122457.db2.gz NJRMXOUAQVCPMM-PLNGDYQASA-N -1 0 223.203 1.713 50 0 BDAARM Cn1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000002537126 180711235 /nfs/dbraw/zinc/71/12/35/180711235.db2.gz UMSNBPXXRMGAKT-DTWKUNHWSA-N -1 0 249.270 1.026 50 0 BDAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[O-] ZINC000000064904 187923570 /nfs/dbraw/zinc/92/35/70/187923570.db2.gz QZBDYCNMWXWQNV-GFCCVEGCSA-N -1 0 233.267 1.607 50 0 biogenic BDAARM Cc1cccc(NC(=O)c2ccno2)c1C(=O)[O-] ZINC000000129537 187924589 /nfs/dbraw/zinc/92/45/89/187924589.db2.gz JILFOSBMQWFXGM-UHFFFAOYSA-N -1 0 246.222 1.934 50 0 BDAARM CC(C)NC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000005442068 353019641 /nfs/dbraw/zinc/01/96/41/353019641.db2.gz BSCZJJVDWSSENV-UHFFFAOYSA-N -1 0 242.300 1.083 50 0 BDAARM CC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100733903 187977252 /nfs/dbraw/zinc/97/72/52/187977252.db2.gz LQEMQGRMLUUWAW-LLVKDONJSA-N -1 0 216.240 1.614 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])C2(CC2)C1 ZINC000238150876 188019489 /nfs/dbraw/zinc/01/94/89/188019489.db2.gz XDFSKDGVRVJWGF-QMMMGPOBSA-N -1 0 241.287 1.718 50 0 BDAARM O=C([O-])[C@H]1CCN1Cc1ccc(F)cc1 ZINC000006472188 353601762 /nfs/dbraw/zinc/60/17/62/353601762.db2.gz WVWZEJAFXOLNKQ-SNVBAGLBSA-N -1 0 209.220 1.485 50 0 BDAARM CCc1cc(=O)n(-c2ccc(N)cn2)[n-]1 ZINC000037470397 355109542 /nfs/dbraw/zinc/10/95/42/355109542.db2.gz AOVXJZIKSITLGQ-UHFFFAOYSA-N -1 0 204.233 1.167 50 0 BDAARM CC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000035185410 355875871 /nfs/dbraw/zinc/87/58/71/355875871.db2.gz WDIDVZPFDYZOEP-MRVPVSSYSA-N -1 0 221.256 1.913 50 0 BDAARM NC(=O)CSc1ccsc1C(=O)[O-] ZINC000000167325 181240409 /nfs/dbraw/zinc/24/04/09/181240409.db2.gz NZKRWGPDXLOBQD-UHFFFAOYSA-N -1 0 217.271 1.024 50 0 BDAARM NC(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000002650690 181260149 /nfs/dbraw/zinc/26/01/49/181260149.db2.gz SSFXPTPGKHWHHQ-QMMMGPOBSA-N -1 0 242.662 1.524 50 0 BDAARM O=C([O-])c1ncc(-c2nccs2)cn1 ZINC000675069899 538499041 /nfs/dbraw/zinc/49/90/41/538499041.db2.gz LZKBONLIDFOTPA-UHFFFAOYSA-N -1 0 207.214 1.298 50 0 BDAARM Cc1cocc1-c1cnc(C(=O)[O-])nc1 ZINC000675070379 538500835 /nfs/dbraw/zinc/50/08/35/538500835.db2.gz VVXWULDINRCYBP-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM O=C([O-])c1ncc([C@@H]2CCCC(=O)C2)cn1 ZINC000675069199 538498340 /nfs/dbraw/zinc/49/83/40/538498340.db2.gz CUYUDFKRKZXRIA-SSDOTTSWSA-N -1 0 220.228 1.402 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2C(=O)[O-] ZINC000036467698 357331199 /nfs/dbraw/zinc/33/11/99/357331199.db2.gz VGONMHFNYUTBCO-PRJMDXOYSA-N -1 0 227.260 1.326 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)n1cccn1 ZINC000006343019 357994303 /nfs/dbraw/zinc/99/43/03/357994303.db2.gz OSMWZCZLRCBONG-RKDXNWHRSA-N -1 0 220.228 1.190 50 0 BDAARM O=C([O-])c1cc(=O)[nH]cc1C(F)(F)F ZINC000238657548 361171557 /nfs/dbraw/zinc/17/15/57/361171557.db2.gz JUEVZGGDASZMMN-UHFFFAOYSA-N -1 0 207.107 1.504 50 0 BDAARM O=C([O-])c1cc[nH]c(=O)c1C(F)(F)F ZINC000238685896 361179045 /nfs/dbraw/zinc/17/90/45/361179045.db2.gz NXACWWNLUVOEDJ-UHFFFAOYSA-N -1 0 207.107 1.504 50 0 BDAARM O=C([O-])c1ccnc(F)c1C(F)(F)F ZINC000238685701 361179270 /nfs/dbraw/zinc/17/92/70/361179270.db2.gz MHPRXPLIAYUQOO-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM O=C([O-])COc1ccc2c(c1F)CCC2=O ZINC000579354524 366768202 /nfs/dbraw/zinc/76/82/02/366768202.db2.gz BRURTHRKVYZXDY-UHFFFAOYSA-N -1 0 224.187 1.418 50 0 BDAARM O=C([O-])[C@@H]1CCC[C@H](Br)C1=O ZINC000139202273 361592195 /nfs/dbraw/zinc/59/21/95/361592195.db2.gz AUQWJFMEDWJXNT-UHNVWZDZSA-N -1 0 221.050 1.204 50 0 BDAARM Cc1onc(-c2ccncc2F)c1C(=O)[O-] ZINC000149320780 541416429 /nfs/dbraw/zinc/41/64/29/541416429.db2.gz FGXKEVQVQAOFLG-UHFFFAOYSA-N -1 0 222.175 1.882 50 0 BDAARM O=C([O-])CCCCC(=O)NC[C@H]1CCCOC1 ZINC000038043534 541471475 /nfs/dbraw/zinc/47/14/75/541471475.db2.gz GEFHVOUMKPCBBE-SNVBAGLBSA-N -1 0 243.303 1.174 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccnc2)C1 ZINC000236452975 259542454 /nfs/dbraw/zinc/54/24/54/259542454.db2.gz PQBMVWLBQUERBG-DTWKUNHWSA-N -1 0 234.255 1.521 50 0 BDAARM C[C@H](CCc1ccccc1)NC(=O)C(=O)[O-] ZINC000013435979 371065375 /nfs/dbraw/zinc/06/53/75/371065375.db2.gz SCFIIBPCOSGCLH-SECBINFHSA-N -1 0 221.256 1.209 50 0 BDAARM Cn1ccc2ccc(C(=O)[O-])cc2c1=O ZINC000095628782 371309581 /nfs/dbraw/zinc/30/95/81/371309581.db2.gz NYEDTYXCCFHQCD-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 BDAARM Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000008699760 181703962 /nfs/dbraw/zinc/70/39/62/181703962.db2.gz GLCQUPLYYXSPQB-UHFFFAOYSA-N -1 0 205.135 1.986 50 0 BDAARM O=C([O-])c1ccccc1CC(=O)Nc1ccon1 ZINC000071284940 182045653 /nfs/dbraw/zinc/04/56/53/182045653.db2.gz XLNJQUZROOWZHR-UHFFFAOYSA-N -1 0 246.222 1.554 50 0 BDAARM O=C([O-])C1(NC(=O)c2ccoc2)CCCCC1 ZINC000019442178 182089152 /nfs/dbraw/zinc/08/91/52/182089152.db2.gz PKHOWYGEBPDKIW-UHFFFAOYSA-N -1 0 237.255 1.797 50 0 BDAARM CC(C)c1cc(=O)n2nc(C(F)(F)F)[n-]c2n1 ZINC000009136157 373458255 /nfs/dbraw/zinc/45/82/55/373458255.db2.gz XOZQYKGAYGPWNH-UHFFFAOYSA-N -1 0 246.192 1.972 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC000085006421 182338816 /nfs/dbraw/zinc/33/88/16/182338816.db2.gz QPYODLXMFBKTMB-ZJUUUORDSA-N -1 0 223.272 1.322 50 0 BDAARM O=C([O-])c1ccccc1NC(=O)NC1CC1 ZINC000032500448 182377583 /nfs/dbraw/zinc/37/75/83/182377583.db2.gz QYKRKNFHJXAWHI-UHFFFAOYSA-N -1 0 220.228 1.669 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000004992556 182433232 /nfs/dbraw/zinc/43/32/32/182433232.db2.gz WRGPQFBHRKQDCQ-UHFFFAOYSA-N -1 0 249.222 1.160 50 0 BDAARM O=C([O-])CC[C@H]1C(=O)Nc2ccccc21 ZINC000008765375 182451603 /nfs/dbraw/zinc/45/16/03/182451603.db2.gz BFQGSVVUAHHSFU-MRVPVSSYSA-N -1 0 205.213 1.587 50 0 biogenic BDAARM O=C([O-])CCn1c(=O)oc2ccc(Cl)cc21 ZINC000006528356 182457940 /nfs/dbraw/zinc/45/79/40/182457940.db2.gz ODWSXTKSQNMMMQ-UHFFFAOYSA-N -1 0 241.630 1.723 50 0 BDAARM O=C([O-])C[C@@H](NC(=O)c1cscn1)C1CC1 ZINC000096480317 182475462 /nfs/dbraw/zinc/47/54/62/182475462.db2.gz AOECMTXXDBQPLH-SSDOTTSWSA-N -1 0 240.284 1.126 50 0 BDAARM O=C([O-])Cc1ccn(CC(F)(F)F)n1 ZINC000072209573 182492375 /nfs/dbraw/zinc/49/23/75/182492375.db2.gz UNFZKRKCIQJNKV-UHFFFAOYSA-N -1 0 208.139 1.073 50 0 BDAARM O=C([O-])Cc1ccncc1C(F)(F)F ZINC000082929123 182492459 /nfs/dbraw/zinc/49/24/59/182492459.db2.gz VBFCIRDKDXVZCA-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000001447055 182511576 /nfs/dbraw/zinc/51/15/76/182511576.db2.gz HAKVQQRIKXMAJZ-JTQLQIEISA-N -1 0 225.288 1.642 50 0 BDAARM O=C([O-])[C@H](c1ccccc1)N1CCCC1=O ZINC000036960403 182530639 /nfs/dbraw/zinc/53/06/39/182530639.db2.gz JEZXSMOLJOXBRE-NSHDSACASA-N -1 0 219.240 1.435 50 0 BDAARM O=C([O-])[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000000250159 182519879 /nfs/dbraw/zinc/51/98/79/182519879.db2.gz GIVFXJOSWHOVIQ-VIFPVBQESA-N -1 0 237.280 1.286 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000000873472 182535225 /nfs/dbraw/zinc/53/52/25/182535225.db2.gz JJTYFIFTNRNBSS-QMMMGPOBSA-N -1 0 223.228 1.216 50 0 BDAARM O=C([O-])[C@H]1COc2cc(Cl)ccc2C1 ZINC000082965589 182542674 /nfs/dbraw/zinc/54/26/74/182542674.db2.gz VVBVGCQHZSOTOQ-SSDOTTSWSA-N -1 0 212.632 1.976 50 0 BDAARM O=C([O-])c1cc(-c2ccc(F)cc2)ncn1 ZINC000015809738 182550123 /nfs/dbraw/zinc/55/01/23/182550123.db2.gz QKMAMQLKTBDTEX-UHFFFAOYSA-N -1 0 218.187 1.981 50 0 BDAARM O=C([O-])c1cc(I)c[nH]1 ZINC000014007771 182556506 /nfs/dbraw/zinc/55/65/06/182556506.db2.gz PGSPYCIHODWVMJ-UHFFFAOYSA-N -1 0 236.996 1.318 50 0 BDAARM O=C([O-])c1nnc(-c2ccccc2)s1 ZINC000083285950 182597625 /nfs/dbraw/zinc/59/76/25/182597625.db2.gz RMXFDGJLTUBFID-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=S(=O)([O-])c1ccc2cc(O)ccc2c1 ZINC000001687253 182903732 /nfs/dbraw/zinc/90/37/32/182903732.db2.gz VVPHSMHEYVOVLH-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM CCCCC1C(=O)NC(=S)N=C1[O-] ZINC000012437171 169017593 /nfs/dbraw/zinc/01/75/93/169017593.db2.gz JWFWSXNUCDGMTO-UHFFFAOYSA-N -1 0 200.263 1.519 50 0 BDAARM CCCN(CC(=O)[O-])C(=O)/C=C\C(C)(C)C ZINC000222116611 169095646 /nfs/dbraw/zinc/09/56/46/169095646.db2.gz NPOUKKMLHCYPHR-SREVYHEPSA-N -1 0 227.304 1.912 50 0 BDAARM CCCN(CC(=O)[O-])C(=O)CC(F)(F)F ZINC000038019488 169096570 /nfs/dbraw/zinc/09/65/70/169096570.db2.gz ADAOCFNIHYVWIQ-UHFFFAOYSA-N -1 0 227.182 1.262 50 0 BDAARM O=c1cnnc(Nc2ccccc2O)[n-]1 ZINC000008738204 183305068 /nfs/dbraw/zinc/30/50/68/183305068.db2.gz MVDXJZUDSPVVFR-UHFFFAOYSA-N -1 0 204.189 1.026 50 0 BDAARM O=c1[n-]c(=S)c(Br)n[nH]1 ZINC000002473633 183308726 /nfs/dbraw/zinc/30/87/26/183308726.db2.gz XTDLORUYXBJXDJ-UHFFFAOYSA-N -1 0 208.040 1.002 50 0 BDAARM CCCNC(=O)CSc1n[n-]c(=S)s1 ZINC000008473850 169232440 /nfs/dbraw/zinc/23/24/40/169232440.db2.gz XCDDHXUELYDWNZ-UHFFFAOYSA-N -1 0 249.386 1.445 50 0 BDAARM CCCNC(=O)c1cccc(C(=O)[O-])c1 ZINC000035347381 169252734 /nfs/dbraw/zinc/25/27/34/169252734.db2.gz ZSXQJXAZWUQHFW-UHFFFAOYSA-N -1 0 207.229 1.525 50 0 BDAARM CCCOc1nc(C)c(C(=O)[O-])s1 ZINC000085863745 169328041 /nfs/dbraw/zinc/32/80/41/169328041.db2.gz MXRQAWOHYZGYNA-UHFFFAOYSA-N -1 0 201.247 1.939 50 0 BDAARM CCCS(=O)(=O)c1nc2ccccc2[n-]1 ZINC000026423525 169334610 /nfs/dbraw/zinc/33/46/10/169334610.db2.gz LKKXQVWWTQINKH-UHFFFAOYSA-N -1 0 224.285 1.747 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C(=O)[O-] ZINC000002541438 166656150 /nfs/dbraw/zinc/65/61/50/166656150.db2.gz YGWZXQOYEBWUTH-RNFRBKRXSA-N -1 0 233.239 1.419 50 0 BDAARM CC(C)(C)OC(=O)NCc1nc(C(=O)[O-])co1 ZINC000032099177 166664021 /nfs/dbraw/zinc/66/40/21/166664021.db2.gz AKUIDVVQFDMLAW-UHFFFAOYSA-N -1 0 242.231 1.398 50 0 BDAARM CC(=O)c1n[nH]nc1[N-]c1nc(C)cc(C)n1 ZINC000000210864 383845441 /nfs/dbraw/zinc/84/54/41/383845441.db2.gz YYHFUFGJWGLHDX-UHFFFAOYSA-N -1 0 232.247 1.158 50 0 BDAARM Cc1ccc(C(=O)NCc2occc2C(=O)[O-])o1 ZINC000000248333 383849027 /nfs/dbraw/zinc/84/90/27/383849027.db2.gz BILWQCMPXIYLCI-UHFFFAOYSA-N -1 0 249.222 1.809 50 0 BDAARM O=C([O-])CSc1nnc(-c2cccs2)o1 ZINC000000421930 383866149 /nfs/dbraw/zinc/86/61/49/383866149.db2.gz DDAZVWRCOLWHLI-UHFFFAOYSA-N -1 0 242.281 1.975 50 0 BDAARM S=c1[n-]nc(Cn2nnc3ccccc32)o1 ZINC000000422542 383866685 /nfs/dbraw/zinc/86/66/85/383866685.db2.gz CUSBARPXDQWRKC-UHFFFAOYSA-N -1 0 233.256 1.151 50 0 BDAARM O=C([O-])CCCNC(=O)Cc1ccccc1 ZINC000001580603 383907151 /nfs/dbraw/zinc/90/71/51/383907151.db2.gz NIDZZEUGNIZNMR-UHFFFAOYSA-N -1 0 221.256 1.210 50 0 BDAARM O=C([O-])CCCC(=O)NCc1ccc(F)cc1 ZINC000002752252 383986641 /nfs/dbraw/zinc/98/66/41/383986641.db2.gz ZTMJRLLLDVKUMY-UHFFFAOYSA-N -1 0 239.246 1.697 50 0 BDAARM Cc1ccnc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000002865400 383989921 /nfs/dbraw/zinc/98/99/21/383989921.db2.gz JHBCSXMWPZTKTF-UHFFFAOYSA-N -1 0 249.295 1.586 50 0 BDAARM O=C([O-])Cn1cc(-c2ccccc2CO)cn1 ZINC000067725990 383938197 /nfs/dbraw/zinc/93/81/97/383938197.db2.gz LSNIQKHOJYYDQO-UHFFFAOYSA-N -1 0 232.239 1.127 50 0 BDAARM O=C([O-])c1coc(Cn2cnc3ccccc32)n1 ZINC000067676101 383941215 /nfs/dbraw/zinc/94/12/15/383941215.db2.gz GTHYTKNNSHXPHG-UHFFFAOYSA-N -1 0 243.222 1.771 50 0 BDAARM O=C([O-])[C@@H]1O[C@@H]1c1ccc(Br)cc1 ZINC000067801470 383946716 /nfs/dbraw/zinc/94/67/16/383946716.db2.gz ZKCWMIQZGVVZPR-HTQZYQBOSA-N -1 0 243.056 1.974 50 0 BDAARM O=C([O-])CCn1ccc(C(F)(F)F)n1 ZINC000002537069 383971919 /nfs/dbraw/zinc/97/19/19/383971919.db2.gz ZTWFJHAQKMQGDY-UHFFFAOYSA-N -1 0 208.139 1.377 50 0 BDAARM Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000004200671 384045138 /nfs/dbraw/zinc/04/51/38/384045138.db2.gz DTKAUYQBZSOHRJ-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM O=C([O-])CSc1ccc2c(c1)OCCO2 ZINC000003886525 384032059 /nfs/dbraw/zinc/03/20/59/384032059.db2.gz OKQUASIPWNWBNL-UHFFFAOYSA-N -1 0 226.253 1.635 50 0 BDAARM C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000038528908 384086041 /nfs/dbraw/zinc/08/60/41/384086041.db2.gz IGLUKFNPDYXRDD-NKWVEPMBSA-N -1 0 247.316 1.770 50 0 BDAARM FC(F)(F)c1cccc(OCc2nnn[n-]2)c1 ZINC000004488000 384064591 /nfs/dbraw/zinc/06/45/91/384064591.db2.gz HQRAENSJWZABTI-UHFFFAOYSA-N -1 0 244.176 1.798 50 0 BDAARM O=C([O-])CCC(=O)Nc1cc(F)ccc1F ZINC000000339234 384082170 /nfs/dbraw/zinc/08/21/70/384082170.db2.gz JSWGHGIKDYAJNI-UHFFFAOYSA-N -1 0 229.182 1.768 50 0 BDAARM C[C@]1(C(=O)[O-])CC(c2ccccc2)=NO1 ZINC000004992554 384093115 /nfs/dbraw/zinc/09/31/15/384093115.db2.gz HHSXXVCKNAZBGR-LLVKDONJSA-N -1 0 205.213 1.654 50 0 BDAARM CC(C)(C)OC(=O)Nc1nc(C(=O)[O-])co1 ZINC000091695846 384140089 /nfs/dbraw/zinc/14/00/89/384140089.db2.gz JCSFMVKNXKOGTE-UHFFFAOYSA-N -1 0 228.204 1.720 50 0 BDAARM O=C([O-])c1cc(Nc2ccccc2)ncn1 ZINC000071519224 384169537 /nfs/dbraw/zinc/16/95/37/384169537.db2.gz IJVBWDVXGTVHQJ-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM Cn1nc(C(=O)[O-])cc1-c1cccnc1 ZINC000041211484 384183045 /nfs/dbraw/zinc/18/30/45/384183045.db2.gz QBYKMWUKHHLWDS-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM CN(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000081563535 384186891 /nfs/dbraw/zinc/18/68/91/384186891.db2.gz YCHUVNOGOUGFMB-UHFFFAOYSA-N -1 0 219.162 1.511 50 0 BDAARM O=C([O-])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000008231216 384195550 /nfs/dbraw/zinc/19/55/50/384195550.db2.gz UYFYZSNAKPZNME-UHFFFAOYSA-N -1 0 228.631 1.738 50 0 BDAARM CCn1cc(Br)c(CC(=O)[O-])n1 ZINC000072209637 384200953 /nfs/dbraw/zinc/20/09/53/384200953.db2.gz QZMZIYUAEBYYGN-UHFFFAOYSA-N -1 0 233.065 1.293 50 0 BDAARM Cc1nc(=NCc2ocnc2C)s[n-]1 ZINC000408518585 384274616 /nfs/dbraw/zinc/27/46/16/384274616.db2.gz OXWBDCXTWJPRFH-UHFFFAOYSA-N -1 0 210.262 1.177 50 0 BDAARM O=C([O-])Cc1ccc(OCC(F)F)cc1 ZINC000012395162 384315493 /nfs/dbraw/zinc/31/54/93/384315493.db2.gz OLRCBHYTSCVMKD-UHFFFAOYSA-N -1 0 216.183 1.958 50 0 BDAARM O=C([O-])Cn1nnc(-c2cccc(Cl)c2)n1 ZINC000012428749 384320173 /nfs/dbraw/zinc/32/01/73/384320173.db2.gz NECVHAGQYCRDHY-UHFFFAOYSA-N -1 0 238.634 1.078 50 0 BDAARM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C(C)C)on1 ZINC000097036347 384294136 /nfs/dbraw/zinc/29/41/36/384294136.db2.gz GUJXOYOPAQJGPI-NSHDSACASA-N -1 0 240.259 1.212 50 0 BDAARM O=C([O-])CC[N@@H+]1CCc2ccccc2C1 ZINC000011798191 384298572 /nfs/dbraw/zinc/29/85/72/384298572.db2.gz ITBODVOTGPHBBW-UHFFFAOYSA-N -1 0 205.257 1.519 50 0 BDAARM CCc1cc(NC(=O)c2ncccc2[O-])n(C)n1 ZINC000097102415 384359940 /nfs/dbraw/zinc/35/99/40/384359940.db2.gz PQWSGTHRDMCBCC-UHFFFAOYSA-N -1 0 246.270 1.335 50 0 BDAARM O=C([O-])CCNC(=O)N1CCc2ccccc21 ZINC000013654506 384368416 /nfs/dbraw/zinc/36/84/16/384368416.db2.gz IHSHKNLQFZAXRE-UHFFFAOYSA-N -1 0 234.255 1.233 50 0 BDAARM C[C@H](CNC(=O)OC(C)(C)C)CC(=O)[O-] ZINC000077324704 384402678 /nfs/dbraw/zinc/40/26/78/384402678.db2.gz FNYRVJJDNPAVSS-ZETCQYMHSA-N -1 0 217.265 1.622 50 0 BDAARM O=C([O-])c1ccnc(OC2CC=CC2)c1 ZINC000095919616 384407411 /nfs/dbraw/zinc/40/74/11/384407411.db2.gz IVQBEBHEVRONPV-UHFFFAOYSA-N -1 0 205.213 1.877 50 0 BDAARM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ccccc1 ZINC000096300637 384453682 /nfs/dbraw/zinc/45/36/82/384453682.db2.gz NHNOUTFQKIQWLT-MWLCHTKSSA-N -1 0 205.257 1.986 50 0 BDAARM COCCn1ccc2ccc(C(=O)[O-])cc21 ZINC000079124069 384485912 /nfs/dbraw/zinc/48/59/12/384485912.db2.gz NOTYXENUURHVNM-UHFFFAOYSA-N -1 0 219.240 1.986 50 0 BDAARM O=C([O-])CSc1ccc(Cl)nn1 ZINC000019510635 384525972 /nfs/dbraw/zinc/52/59/72/384525972.db2.gz ABLVRPFWYKHVSD-UHFFFAOYSA-N -1 0 204.638 1.307 50 0 BDAARM Cc1cnn(-c2cc(C(=O)[O-])c(N)cc2F)c1 ZINC000050033927 384585634 /nfs/dbraw/zinc/58/56/34/384585634.db2.gz HIWVEYQARJCNGE-UHFFFAOYSA-N -1 0 235.218 1.600 50 0 BDAARM CN(C)c1ncc(Br)cc1C(=O)[O-] ZINC000050043157 384587389 /nfs/dbraw/zinc/58/73/89/384587389.db2.gz WSVUADXXEYJFRX-UHFFFAOYSA-N -1 0 245.076 1.608 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000100005368 384606767 /nfs/dbraw/zinc/60/67/67/384606767.db2.gz KLCYDBAYYYVNFM-LJGSYFOKSA-N -1 0 215.249 1.374 50 0 BDAARM COCCc1ccc(OCC(=O)[O-])cc1 ZINC000020283886 384611368 /nfs/dbraw/zinc/61/13/68/384611368.db2.gz JDRZORLFZNKEIZ-UHFFFAOYSA-N -1 0 210.229 1.339 50 0 BDAARM Cn1ccc(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000086780027 384670460 /nfs/dbraw/zinc/67/04/60/384670460.db2.gz INOUVVOCLUGPBQ-UHFFFAOYSA-N -1 0 217.228 1.862 50 0 BDAARM Cc1ccc(-n2[nH]cc(C(=O)[O-])c2=O)cc1C ZINC000100489104 384644974 /nfs/dbraw/zinc/64/49/74/384644974.db2.gz CQRWRXHYUYNACA-JTQLQIEISA-N -1 0 232.239 1.337 50 0 BDAARM O=C([O-])/C=C/C(=O)N1CCc2ccccc2C1 ZINC000004611591 384653677 /nfs/dbraw/zinc/65/36/77/384653677.db2.gz QTVHTUGQWBETJC-AATRIKPKSA-N -1 0 231.251 1.212 50 0 BDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCc1cccnc1 ZINC000061721229 384691022 /nfs/dbraw/zinc/69/10/22/384691022.db2.gz WKUDJIBRRJAJEL-NXEZZACHSA-N -1 0 248.282 1.055 50 0 BDAARM O=C([O-])c1cc(F)cc(N2CCOCC2)c1 ZINC000082713071 384702903 /nfs/dbraw/zinc/70/29/03/384702903.db2.gz IDLGYCXCGFKTDV-UHFFFAOYSA-N -1 0 225.219 1.361 50 0 BDAARM O=C([N-]Cc1ccc(CO)cc1)C(F)(F)F ZINC000022060802 384727296 /nfs/dbraw/zinc/72/72/96/384727296.db2.gz BRPKWGMIAIWOJL-UHFFFAOYSA-N -1 0 233.189 1.357 50 0 in-vitro BDAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)[O-] ZINC000052514003 384734901 /nfs/dbraw/zinc/73/49/01/384734901.db2.gz VGONMHFNYUTBCO-BIIVOSGPSA-N -1 0 227.260 1.326 50 0 BDAARM CC(C)Cn1ncc2cc(C(=O)[O-])cnc21 ZINC000022149725 384739690 /nfs/dbraw/zinc/73/96/90/384739690.db2.gz JXXHBISQTDGFLN-UHFFFAOYSA-N -1 0 219.244 1.786 50 0 BDAARM Cc1cc(-c2nc(C(=O)[O-])co2)ccn1 ZINC000143680574 384744646 /nfs/dbraw/zinc/74/46/46/384744646.db2.gz LKLDHJQEIFNERC-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM O=C([O-])C(=O)Cc1ccc(F)c(F)c1 ZINC000022223489 384748228 /nfs/dbraw/zinc/74/82/28/384748228.db2.gz IVBQJZZQPLZJNB-UHFFFAOYSA-N -1 0 200.140 1.161 50 0 BDAARM O=C([O-])CCc1ccnc(N2CCCC2)c1 ZINC000083304635 384757488 /nfs/dbraw/zinc/75/74/88/384757488.db2.gz PKHCHPLCLDGCKE-UHFFFAOYSA-N -1 0 220.272 1.699 50 0 BDAARM Nc1cc(Br)cc(CC(=O)[O-])c1 ZINC000095763897 384831156 /nfs/dbraw/zinc/83/11/56/384831156.db2.gz RTGCHSXALXKWRB-UHFFFAOYSA-N -1 0 230.061 1.658 50 0 BDAARM Cc1n[n-]c(SCc2ccccc2)nc1=O ZINC000018106133 384804176 /nfs/dbraw/zinc/80/41/76/384804176.db2.gz IAVWZUPKJCZVRX-UHFFFAOYSA-N -1 0 233.296 1.766 50 0 BDAARM Cc1cc(C)c(-n2nn[n-]c2=S)c(C)c1 ZINC000017887643 384958508 /nfs/dbraw/zinc/95/85/08/384958508.db2.gz GVQVSLTUYIDGNC-UHFFFAOYSA-N -1 0 220.301 1.876 50 0 BDAARM Cc1occc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961822 384919706 /nfs/dbraw/zinc/91/97/06/384919706.db2.gz CMXSXPSQPVDFBT-DTWKUNHWSA-N -1 0 237.255 1.571 50 0 BDAARM Cc1cn2cccc(OCC(=O)[O-])c2n1 ZINC000057833046 384967221 /nfs/dbraw/zinc/96/72/21/384967221.db2.gz DTGGKOLFPNQAIC-UHFFFAOYSA-N -1 0 206.201 1.106 50 0 BDAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000062117192 385062208 /nfs/dbraw/zinc/06/22/08/385062208.db2.gz UKQQMKNRMQNIGK-SECBINFHSA-N -1 0 237.255 1.443 50 0 BDAARM Cn1cnc2cc(CCC(=O)[O-])ccc21 ZINC000061714982 385135382 /nfs/dbraw/zinc/13/53/82/385135382.db2.gz QPFXWOMYCDTNQC-UHFFFAOYSA-N -1 0 204.229 1.591 50 0 BDAARM Cc1ccc(C)c(NC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000005425264 385089403 /nfs/dbraw/zinc/08/94/03/385089403.db2.gz GYHWGNJDBUYLME-VIFPVBQESA-N -1 0 236.271 1.898 50 0 BDAARM O=Cc1cc(Br)c([O-])cc1O ZINC000034195603 385098076 /nfs/dbraw/zinc/09/80/76/385098076.db2.gz YIIXIVBXVLTMHQ-UHFFFAOYSA-N -1 0 217.018 1.673 50 0 BDAARM c1ccc2c(c1)cccc2OCc1nnn[n-]1 ZINC000004866556 385285899 /nfs/dbraw/zinc/28/58/99/385285899.db2.gz ZOUHFUDOGXYVSV-UHFFFAOYSA-N -1 0 226.239 1.932 50 0 BDAARM O=C([O-])Cc1csc(NC(=O)C2CCC2)n1 ZINC000013405902 385331200 /nfs/dbraw/zinc/33/12/00/385331200.db2.gz LAHQIDFGRVQREQ-UHFFFAOYSA-N -1 0 240.284 1.509 50 0 BDAARM O=C([O-])CC[C@]12CCCC[C@]1(O)OC(=O)CC2 ZINC000000518860 385397799 /nfs/dbraw/zinc/39/77/99/385397799.db2.gz IIYRECQWHLPTMB-RYUDHWBXSA-N -1 0 242.271 1.437 50 0 biogenic BDAARM CC(C)[C@@H](NC(=O)NC(C)(C)C)C(=O)[O-] ZINC000020256459 385455061 /nfs/dbraw/zinc/45/50/61/385455061.db2.gz RCDXPYXXFNYXKK-SSDOTTSWSA-N -1 0 216.281 1.193 50 0 BDAARM CC[C@H](CCC(=O)Nc1ccccn1)C(=O)[O-] ZINC000000544587 385488227 /nfs/dbraw/zinc/48/82/27/385488227.db2.gz IOIHMHCYOZXIJT-SECBINFHSA-N -1 0 236.271 1.911 50 0 BDAARM COC[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237159683 386361489 /nfs/dbraw/zinc/36/14/89/386361489.db2.gz VXNLYHAKPJUDBG-MRVPVSSYSA-N -1 0 237.255 1.606 50 0 BDAARM C[C@@H]1CN(C(=O)C2CC=CC2)C[C@@]1(C)C(=O)[O-] ZINC000335508368 386640937 /nfs/dbraw/zinc/64/09/37/386640937.db2.gz FJOOZIKXDXOMFG-NOZJJQNGSA-N -1 0 237.299 1.522 50 0 BDAARM CC(C)(NC(=O)c1ccc[nH]1)C(C)(C)C(=O)[O-] ZINC000087622632 386934775 /nfs/dbraw/zinc/93/47/75/386934775.db2.gz POFUYGNDGWJFDI-UHFFFAOYSA-N -1 0 238.287 1.634 50 0 BDAARM CN1CCO[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000575472948 387108037 /nfs/dbraw/zinc/10/80/37/387108037.db2.gz ASJAKCXWLHITHI-WDEREUQCSA-N -1 0 221.256 1.143 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@H](F)C1 ZINC000095616736 387227779 /nfs/dbraw/zinc/22/77/79/387227779.db2.gz VAXFBQGBIHPZCF-JGVFFNPUSA-N -1 0 247.266 1.666 50 0 BDAARM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000054310181 387345787 /nfs/dbraw/zinc/34/57/87/387345787.db2.gz IWQMQOPIIPBEGN-MRVPVSSYSA-N -1 0 249.266 1.072 50 0 BDAARM O=C([O-])c1ccc2c(c1)[nH]c(=S)n2CCO ZINC000075278779 387540886 /nfs/dbraw/zinc/54/08/86/387540886.db2.gz YRTDGVJSQLVIAZ-UHFFFAOYSA-N -1 0 238.268 1.389 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000115791353 387474685 /nfs/dbraw/zinc/47/46/85/387474685.db2.gz VEAOFUWYSHVHJK-BDAKNGLRSA-N -1 0 211.261 1.110 50 0 BDAARM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccncc1 ZINC000254764533 388360294 /nfs/dbraw/zinc/36/02/94/388360294.db2.gz LZCLWRIBZUXILY-UHFFFAOYSA-N -1 0 244.258 1.117 50 0 BDAARM CCCC(=O)N(CC(=O)[O-])CC(C)C ZINC000057490893 388361793 /nfs/dbraw/zinc/36/17/93/388361793.db2.gz BRXLOCRLJMMAHT-UHFFFAOYSA-N -1 0 201.266 1.356 50 0 BDAARM CC(C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649257405 388472296 /nfs/dbraw/zinc/47/22/96/388472296.db2.gz IXMBNUFWRDDGJC-UHFFFAOYSA-N -1 0 247.294 1.926 50 0 BDAARM Cc1n[n-]c(Nc2ccccc2Cl)nc1=O ZINC000008927444 388412069 /nfs/dbraw/zinc/41/20/69/388412069.db2.gz JJQOEEDRBOABLH-UHFFFAOYSA-N -1 0 236.662 1.870 50 0 BDAARM O=C([O-])c1cccc(Cn2ccnn2)c1 ZINC000072226081 388615566 /nfs/dbraw/zinc/61/55/66/388615566.db2.gz UVKYSMHAIYTTLE-UHFFFAOYSA-N -1 0 203.201 1.025 50 0 BDAARM O=C([O-])c1c(O)cnc2c(F)cccc21 ZINC000087109971 388683926 /nfs/dbraw/zinc/68/39/26/388683926.db2.gz IVDHARKWLBZWCS-UHFFFAOYSA-N -1 0 207.160 1.778 50 0 BDAARM C[C@H](NC(=O)NCCc1ccccc1)C(=O)[O-] ZINC000002422473 388701347 /nfs/dbraw/zinc/70/13/47/388701347.db2.gz UWDOKRADJLPKKA-VIFPVBQESA-N -1 0 236.271 1.001 50 0 BDAARM CCN(CC(=O)[O-])C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000095970041 388795508 /nfs/dbraw/zinc/79/55/08/388795508.db2.gz IZKPFXKNJGAXLS-NXEZZACHSA-N -1 0 227.304 1.746 50 0 BDAARM CS(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000095964691 388795868 /nfs/dbraw/zinc/79/58/68/388795868.db2.gz UXYVYNBABUKMFA-UHFFFAOYSA-N -1 0 243.313 1.510 50 0 BDAARM CCC[C@H](CC(=O)[O-])NC(=O)[C@H](C)CC ZINC000097022276 388830393 /nfs/dbraw/zinc/83/03/93/388830393.db2.gz FRWYLLBYNMMSFW-RKDXNWHRSA-N -1 0 215.293 1.792 50 0 BDAARM O=S(=O)([O-])c1c(O)ccc2ccccc21 ZINC000001669720 388830558 /nfs/dbraw/zinc/83/05/58/388830558.db2.gz SGBQUMZTGSQNAO-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM Cc1noc(C)c1CN(CC(=O)[O-])C1CC1 ZINC000037474603 388873497 /nfs/dbraw/zinc/87/34/97/388873497.db2.gz UJIXEMYFIUWQNB-UHFFFAOYSA-N -1 0 224.260 1.340 50 0 BDAARM O=C([O-])C[C@H]1CCCN(c2cnccn2)C1 ZINC000054298021 132363961 /nfs/dbraw/zinc/36/39/61/132363961.db2.gz QEZTTXSSYIUUFQ-SECBINFHSA-N -1 0 221.260 1.168 50 0 BDAARM Cc1ccc2c(c1)N(CCC(=O)[O-])C(=O)[C@@H](C)O2 ZINC000004385280 132316719 /nfs/dbraw/zinc/31/67/19/132316719.db2.gz RZRCGFNZSARKCN-SECBINFHSA-N -1 0 249.266 1.584 50 0 BDAARM Cc1ccnc(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000006746548 132318232 /nfs/dbraw/zinc/31/82/32/132318232.db2.gz OIDJUALRPNGDOJ-VIFPVBQESA-N -1 0 221.260 1.086 50 0 BDAARM CCc1c([O-])[nH]c(=S)n(-c2ccccc2)c1=O ZINC000018122006 132323945 /nfs/dbraw/zinc/32/39/45/132323945.db2.gz ADWDYPCDHYOMJO-SECBINFHSA-N -1 0 248.307 1.872 50 0 BDAARM O=C([O-])CCCN1C(=O)CCc2ccccc21 ZINC000019397489 132324560 /nfs/dbraw/zinc/32/45/60/132324560.db2.gz HFUZTQLOCFRFOQ-UHFFFAOYSA-N -1 0 233.267 1.831 50 0 BDAARM C[C@@H]1Oc2cc(C(=O)[O-])ccc2N(C)C1=O ZINC000022995883 132332925 /nfs/dbraw/zinc/33/29/25/132332925.db2.gz VDUSLSYXSROXDX-LURJTMIESA-N -1 0 221.212 1.129 50 0 BDAARM C[C@H]1Oc2cc(C(=O)[O-])ccc2N(C)C1=O ZINC000022995884 132333029 /nfs/dbraw/zinc/33/30/29/132333029.db2.gz VDUSLSYXSROXDX-ZCFIWIBFSA-N -1 0 221.212 1.129 50 0 BDAARM O=C([O-])c1ccc(F)c(N2CCOCC2)c1 ZINC000049819898 132358253 /nfs/dbraw/zinc/35/82/53/132358253.db2.gz TYIJXZGOJBRREG-UHFFFAOYSA-N -1 0 225.219 1.361 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)C[C@@H]1C=CCC1)C1CC1 ZINC000262392647 135298938 /nfs/dbraw/zinc/29/89/38/135298938.db2.gz FZYHKWIWCAFDHF-VHSXEESVSA-N -1 0 237.299 1.807 50 0 BDAARM CCCN(CC(=O)[O-])C(=O)[C@]1(C)CC1(F)F ZINC000263189982 135338824 /nfs/dbraw/zinc/33/88/24/135338824.db2.gz LCSSWIOHVQKHNV-VIFPVBQESA-N -1 0 235.230 1.355 50 0 BDAARM CCC[C@H](CNC(=O)[C@]1(C)CC1(F)F)C(=O)[O-] ZINC000263221803 135339954 /nfs/dbraw/zinc/33/99/54/135339954.db2.gz PFSLNKZLOKNUBB-XCBNKYQSSA-N -1 0 249.257 1.649 50 0 BDAARM CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000263524787 135358133 /nfs/dbraw/zinc/35/81/33/135358133.db2.gz JFYQWWQUWVINFI-FXAINCCUSA-N -1 0 243.278 1.448 50 0 BDAARM CC(C)c1nnc(N(C)C[C@@H](C)C(=O)[O-])s1 ZINC000263542127 135358697 /nfs/dbraw/zinc/35/86/97/135358697.db2.gz DLMZFHBZASNFIU-SSDOTTSWSA-N -1 0 243.332 1.818 50 0 BDAARM CCCc1csc(NC(=O)[C@@H](C)C(=O)[O-])n1 ZINC000263562799 135360454 /nfs/dbraw/zinc/36/04/54/135360454.db2.gz SWBIUROIOJKXLV-ZCFIWIBFSA-N -1 0 242.300 1.755 50 0 BDAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000114494294 322863217 /nfs/dbraw/zinc/86/32/17/322863217.db2.gz BPUPMHVBVYPFDZ-BDAKNGLRSA-N -1 0 243.303 1.964 50 0 BDAARM CCc1nc(=N[C@@H](C)c2cnccn2)s[n-]1 ZINC000585092044 487577043 /nfs/dbraw/zinc/57/70/43/487577043.db2.gz CCLTWAJHLWKCKW-ZETCQYMHSA-N -1 0 235.316 1.486 50 0 BDAARM CO[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)C1CC1 ZINC000668272463 487603322 /nfs/dbraw/zinc/60/33/22/487603322.db2.gz FAKWDFJHCJXULP-NSHDSACASA-N -1 0 249.266 1.748 50 0 BDAARM CC(C)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000001037754 167321290 /nfs/dbraw/zinc/32/12/90/167321290.db2.gz ZDDVMNMNEKTFMR-UHFFFAOYSA-N -1 0 234.298 1.628 50 0 BDAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC000005124177 166231780 /nfs/dbraw/zinc/23/17/80/166231780.db2.gz MGZUZAIWOWGBJM-CLFYSBASSA-N -1 0 219.240 1.964 50 0 BDAARM CC(=O)c1cc(C)ccc1OCC(=O)[O-] ZINC000001464303 166443639 /nfs/dbraw/zinc/44/36/39/166443639.db2.gz VVRNXJHFSXDXDU-UHFFFAOYSA-N -1 0 208.213 1.661 50 0 BDAARM CC(C)(C)OC(=O)NC/C=C/C(=O)[O-] ZINC000039091345 166660011 /nfs/dbraw/zinc/66/00/11/166660011.db2.gz MUQOCUSTNGBFJL-SNAWJCMRSA-N -1 0 201.222 1.152 50 0 BDAARM CC(C)(C)OC(=O)NCC1(C(=O)[O-])CC(F)C1 ZINC000095743354 166660155 /nfs/dbraw/zinc/66/01/55/166660155.db2.gz OGLQFUNWJNKLCH-UHFFFAOYSA-N -1 0 247.266 1.714 50 0 BDAARM CC(C)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000020209256 167078009 /nfs/dbraw/zinc/07/80/09/167078009.db2.gz GOJKQOQOFSGQPU-UHFFFAOYSA-N -1 0 222.244 1.915 50 0 BDAARM CC(C)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000012382654 167130080 /nfs/dbraw/zinc/13/00/80/167130080.db2.gz DNSGVXSSHRHJOE-UHFFFAOYSA-N -1 0 249.313 1.133 50 0 BDAARM CC(C)[C@@H](C(=O)NCC(=O)[O-])c1ccccc1 ZINC000195542590 167342767 /nfs/dbraw/zinc/34/27/67/167342767.db2.gz CNUJOEFQVCLBOI-GFCCVEGCSA-N -1 0 235.283 1.627 50 0 BDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000108330266 411144302 /nfs/dbraw/zinc/14/43/02/411144302.db2.gz XJNPCSPKJWDWMT-INTQDDNPSA-N -1 0 239.315 1.602 50 0 BDAARM CC1(C)C(=O)Nc2cc(C(=O)[O-])ccc21 ZINC000034331539 167876077 /nfs/dbraw/zinc/87/60/77/167876077.db2.gz ARPWLTXDPCHBLE-UHFFFAOYSA-N -1 0 205.213 1.615 50 0 BDAARM CC(C)(C)OC(=O)N1CC(C)(CC(=O)[O-])C1 ZINC000095740499 168017684 /nfs/dbraw/zinc/01/76/84/168017684.db2.gz NLIHIKJCORNUSV-UHFFFAOYSA-N -1 0 229.276 1.718 50 0 BDAARM Cc1cc(=O)n(-c2cc(N)cc(C(=O)[O-])c2)[nH]1 ZINC000004016138 168133769 /nfs/dbraw/zinc/13/37/69/168133769.db2.gz KXCUHCIEZOFGMZ-UHFFFAOYSA-N -1 0 233.227 1.080 50 0 BDAARM Cc1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC000016776764 168135513 /nfs/dbraw/zinc/13/55/13/168135513.db2.gz OAPBOQRKEINXTQ-UHFFFAOYSA-N -1 0 204.233 1.206 50 0 BDAARM CCC(=O)N(C)c1c(F)cccc1C(=O)[O-] ZINC000016623021 168212740 /nfs/dbraw/zinc/21/27/40/168212740.db2.gz MDWURVKSCURTTF-UHFFFAOYSA-N -1 0 225.219 1.897 50 0 BDAARM CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000044466910 168225119 /nfs/dbraw/zinc/22/51/19/168225119.db2.gz NZVWBUDPSGZDJO-GFCCVEGCSA-N -1 0 233.267 1.607 50 0 BDAARM CCNC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000026475238 170075103 /nfs/dbraw/zinc/07/51/03/170075103.db2.gz QUIJHCRXBYRZML-AEJSXWLSSA-N -1 0 240.303 1.434 50 0 BDAARM CCOC(=O)CNc1cccc(C(=O)[O-])c1 ZINC000000268364 170227995 /nfs/dbraw/zinc/22/79/95/170227995.db2.gz RBDOGNPBVBDZHY-UHFFFAOYSA-N -1 0 223.228 1.360 50 0 BDAARM CCOC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000042161382 170239089 /nfs/dbraw/zinc/23/90/89/170239089.db2.gz RGLOHACYRPCUOW-ZETCQYMHSA-N -1 0 201.222 1.082 50 0 BDAARM CCOC(=O)Nc1scnc1C(=O)[O-] ZINC000225502623 170244831 /nfs/dbraw/zinc/24/48/31/170244831.db2.gz PNSZQYPBXNDXML-UHFFFAOYSA-N -1 0 216.218 1.410 50 0 BDAARM CCOC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100074170 170257287 /nfs/dbraw/zinc/25/72/87/170257287.db2.gz WYRXIEUFRVSVEM-NSHDSACASA-N -1 0 246.266 1.588 50 0 BDAARM CCOC(=O)c1ccc(C(=O)[O-])c(O)c1 ZINC000040448005 170295052 /nfs/dbraw/zinc/29/50/52/170295052.db2.gz GQUIMTXFPFKYAP-UHFFFAOYSA-N -1 0 210.185 1.267 50 0 BDAARM CCOC(=O)c1ccc(C(=O)[O-])nc1C ZINC000013013677 170295835 /nfs/dbraw/zinc/29/58/35/170295835.db2.gz AEIKVEPDWZNINS-UHFFFAOYSA-N -1 0 209.201 1.265 50 0 BDAARM CCOC(=O)c1nc[n-]c(=O)c1Br ZINC000039289655 170308444 /nfs/dbraw/zinc/30/84/44/170308444.db2.gz QVYLADNMRPAEKA-UHFFFAOYSA-N -1 0 247.048 1.121 50 0 BDAARM CCOCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000133870358 170342424 /nfs/dbraw/zinc/34/24/24/170342424.db2.gz CVVFGUACLQQCFH-JTQLQIEISA-N -1 0 249.266 1.238 50 0 BDAARM CC[C@H](C)[C@@H](NC(=O)N1CCCC1)C(=O)[O-] ZINC000006224690 171373254 /nfs/dbraw/zinc/37/32/54/171373254.db2.gz KTOQGKOUGRAJPY-DTWKUNHWSA-N -1 0 228.292 1.291 50 0 BDAARM CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000013682389 171509800 /nfs/dbraw/zinc/50/98/00/171509800.db2.gz URIQZQGHAKCXFS-VIFPVBQESA-N -1 0 246.266 1.761 50 0 BDAARM CCn1c(C)nc2cc(CC(=O)[O-])ccc21 ZINC000031893058 172137056 /nfs/dbraw/zinc/13/70/56/172137056.db2.gz NSMBWZGCHADSEB-UHFFFAOYSA-N -1 0 218.256 1.992 50 0 BDAARM CCn1cnc2sc(C(=O)[O-])c(C)c2c1=O ZINC000000109411 172233850 /nfs/dbraw/zinc/23/38/50/172233850.db2.gz SXQISXMEDDDZKV-UHFFFAOYSA-N -1 0 238.268 1.485 50 0 BDAARM CN(C)c1cc(C(=O)[O-])c2ccccc2n1 ZINC000006125856 172544728 /nfs/dbraw/zinc/54/47/28/172544728.db2.gz NGJFDFAIRAKMPJ-UHFFFAOYSA-N -1 0 216.240 1.999 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)C1CCCC1 ZINC000036923235 172687064 /nfs/dbraw/zinc/68/70/64/172687064.db2.gz UYRPIOYSJWBOTH-UHFFFAOYSA-N -1 0 213.277 1.500 50 0 BDAARM COC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000037473952 173663007 /nfs/dbraw/zinc/66/30/07/173663007.db2.gz QWOYHGMHRZPAJG-UHFFFAOYSA-N -1 0 213.164 1.702 50 0 BDAARM COC(=O)C1=C([O-])c2cc(F)ccc2OC1 ZINC000041243853 173824421 /nfs/dbraw/zinc/82/44/21/173824421.db2.gz SKBDPOSFENKSCN-QMMMGPOBSA-N -1 0 224.187 1.190 50 0 BDAARM COCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000053731019 174123577 /nfs/dbraw/zinc/12/35/77/174123577.db2.gz WVIKIEMAWQGBKM-JTQLQIEISA-N -1 0 243.303 1.269 50 0 BDAARM COCCCNc1ccc(C(=O)[O-])cc1N ZINC000037930796 174252518 /nfs/dbraw/zinc/25/25/18/174252518.db2.gz SKGBMYGHJXOJII-UHFFFAOYSA-N -1 0 224.260 1.415 50 0 BDAARM COCCOc1cccc(/C=C/C(=O)[O-])c1 ZINC000020526781 174369339 /nfs/dbraw/zinc/36/93/39/174369339.db2.gz MZENHHUDINQIFT-AATRIKPKSA-N -1 0 222.240 1.810 50 0 BDAARM COc1c(C)cc(C)cc1CN1CC[C@@H]1C(=O)[O-] ZINC000215832601 174921111 /nfs/dbraw/zinc/92/11/11/174921111.db2.gz IHZVICUZHYJTJR-GFCCVEGCSA-N -1 0 249.310 1.971 50 0 BDAARM COc1cc(C=O)cc(Cl)c1OCC(=O)[O-] ZINC000004739216 174975771 /nfs/dbraw/zinc/97/57/71/174975771.db2.gz 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OMTDIBZSUZNVJK-UHFFFAOYSA-N -1 0 208.213 1.743 50 0 biogenic BDAARM COc1ccc(C(=O)[O-])cc1-n1cccn1 ZINC000079124121 175064452 /nfs/dbraw/zinc/06/44/52/175064452.db2.gz GXYGQJONEIPUJZ-UHFFFAOYSA-N -1 0 218.212 1.579 50 0 BDAARM COc1ccc(C(=O)SCC(=O)[O-])cc1 ZINC000013944147 175065059 /nfs/dbraw/zinc/06/50/59/175065059.db2.gz OHTVEHDAPOAVIB-UHFFFAOYSA-N -1 0 226.253 1.653 50 0 BDAARM COc1ccc(C[C@@H](C)C(=O)[O-])cc1OC ZINC000011976588 175114903 /nfs/dbraw/zinc/11/49/03/175114903.db2.gz UDWOGKXUYHXPKV-MRVPVSSYSA-N -1 0 224.256 1.967 50 0 BDAARM COc1ccc(OC)c(SCC(=O)[O-])c1 ZINC000000131964 175166799 /nfs/dbraw/zinc/16/67/99/175166799.db2.gz WLMYLHHXANUZIH-UHFFFAOYSA-N -1 0 228.269 1.881 50 0 BDAARM COc1ccc(S(=O)[O-])c(OC)c1C ZINC000001403764 175174406 /nfs/dbraw/zinc/17/44/06/175174406.db2.gz SSARTVLNSZVQNH-UHFFFAOYSA-N -1 0 216.258 1.593 50 0 BDAARM COc1ccc2cc(C(=O)[O-])c(=O)[nH]c2c1 ZINC000000266936 175223671 /nfs/dbraw/zinc/22/36/71/175223671.db2.gz JWFIIRKKNJSHFZ-UHFFFAOYSA-N -1 0 219.196 1.235 50 0 BDAARM COc1cccc(C(F)(F)C(=O)[O-])c1 ZINC000020213109 175247671 /nfs/dbraw/zinc/24/76/71/175247671.db2.gz CDOYOTAXUDCGFD-UHFFFAOYSA-N -1 0 202.156 1.872 50 0 BDAARM COc1cccc(CO[C@H](C)C(=O)[O-])c1 ZINC000019471994 175269917 /nfs/dbraw/zinc/26/99/17/175269917.db2.gz XWFWSKGMKJMPHJ-MRVPVSSYSA-N -1 0 210.229 1.685 50 0 BDAARM COc1cccc([C@@H]2N[C@H](C(=O)[O-])CS2)c1 ZINC000000040418 175291237 /nfs/dbraw/zinc/29/12/37/175291237.db2.gz TVACMXQCMBZPME-VHSXEESVSA-N -1 0 239.296 1.483 50 0 BDAARM COc1cccc2c1C[C@@H](C(=O)[O-])CC2 ZINC000005227864 175303049 /nfs/dbraw/zinc/30/30/49/175303049.db2.gz VOAFGTBETRJDPU-VIFPVBQESA-N -1 0 206.241 1.885 50 0 BDAARM COc1ccccc1-c1nn(C)cc1C(=O)[O-] ZINC000031885858 175312063 /nfs/dbraw/zinc/31/20/63/175312063.db2.gz HIDZSJYPLNSYOJ-UHFFFAOYSA-N -1 0 232.239 1.794 50 0 BDAARM COc1nc2ccccc2nc1CCC(=O)[O-] ZINC000001443899 175397249 /nfs/dbraw/zinc/39/72/49/175397249.db2.gz CTIQZKAWWUSNIN-UHFFFAOYSA-N -1 0 232.239 1.656 50 0 BDAARM COc1nc2ccccc2nc1C(=O)[O-] ZINC000052508027 175397352 /nfs/dbraw/zinc/39/73/52/175397352.db2.gz PENXATVRVKUKDH-UHFFFAOYSA-N -1 0 204.185 1.337 50 0 BDAARM CSc1cccc(CNC(=O)CC(=O)[O-])c1 ZINC000020863775 175579572 /nfs/dbraw/zinc/57/95/72/175579572.db2.gz VTKQSXVOEZVCLF-UHFFFAOYSA-N -1 0 239.296 1.499 50 0 BDAARM C[C@@H](C(=O)[O-])n1cc(Br)cn1 ZINC000002732016 175628525 /nfs/dbraw/zinc/62/85/25/175628525.db2.gz QJDBHMKKZWMMJU-BYPYZUCNSA-N -1 0 219.038 1.291 50 0 BDAARM C[C@@H](Oc1ccc(/C=C/[N+](=O)[O-])cc1)C(=O)[O-] ZINC000004740772 176004315 /nfs/dbraw/zinc/00/43/15/176004315.db2.gz UFETXHCRRLPDAC-HYDMIIDASA-N -1 0 237.211 1.786 50 0 BDAARM C[C@@H](c1cccc(F)c1)n1cc(C(=O)[O-])nn1 ZINC000014628912 176017744 /nfs/dbraw/zinc/01/77/44/176017744.db2.gz MHCOWGCNANJGQO-ZETCQYMHSA-N -1 0 235.218 1.725 50 0 BDAARM C[C@@H]1CC/C(=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000328590447 176056068 /nfs/dbraw/zinc/05/60/68/176056068.db2.gz YMSJQPORZATALT-DHJNVWGISA-N -1 0 237.299 1.666 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000085006495 176386362 /nfs/dbraw/zinc/38/63/62/176386362.db2.gz XHPYETVGMMJXTR-XAVMHZPKSA-N -1 0 211.261 1.012 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000111403443 176386848 /nfs/dbraw/zinc/38/68/48/176386848.db2.gz GMGUGHYTCXOLEX-SKDRFNHKSA-N -1 0 247.294 1.700 50 0 BDAARM C[C@H](O)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000006283081 177018566 /nfs/dbraw/zinc/01/85/66/177018566.db2.gz DJTZCUDCEWMZBL-YFKPBYRVSA-N -1 0 206.201 1.314 50 0 BDAARM C[C@H]1CC(=O)Nc2ccc(C(=O)[O-])cc2N1 ZINC000169054430 177063042 /nfs/dbraw/zinc/06/30/42/177063042.db2.gz IFGHTPMYTIIOAF-LURJTMIESA-N -1 0 220.228 1.527 50 0 BDAARM C[C@@H]1C[C@H](C)CN(C(=O)CSCC(=O)[O-])C1 ZINC000004916325 177310533 /nfs/dbraw/zinc/31/05/33/177310533.db2.gz PBXZBMCZYSMVLN-DTORHVGOSA-N -1 0 245.344 1.309 50 0 BDAARM CC(C)(C)[C@@H](NC(=O)C1CC=CC1)C(=O)[O-] ZINC000082865963 487741382 /nfs/dbraw/zinc/74/13/82/487741382.db2.gz NDNGILAHKUDFSW-VIFPVBQESA-N -1 0 225.288 1.568 50 0 BDAARM CC[C@@H](C)[C@H](NC(=O)CCCCl)C(=O)[O-] ZINC000003018337 487820135 /nfs/dbraw/zinc/82/01/35/487820135.db2.gz LGDYCBRZRZHANL-APPZFPTMSA-N -1 0 235.711 1.621 50 0 BDAARM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccnc2)C1 ZINC000111470372 487881100 /nfs/dbraw/zinc/88/11/00/487881100.db2.gz SFLPMYUEMFGYJO-UWVGGRQHSA-N -1 0 248.282 1.911 50 0 BDAARM Cc1ccc(C)c(C[S@](=O)CC(=O)[O-])c1 ZINC000049258546 487944752 /nfs/dbraw/zinc/94/47/52/487944752.db2.gz KASXMSVCDRAKQK-OAHLLOKOSA-N -1 0 226.297 1.637 50 0 BDAARM Cn1nc(C(=O)[O-])nc1-c1cccc(F)c1F ZINC000534650538 323157485 /nfs/dbraw/zinc/15/74/85/323157485.db2.gz GYVLRJKRWQAYOP-UHFFFAOYSA-N -1 0 239.181 1.459 50 0 BDAARM Cc1c[nH]c(CN2CCCC[C@H]2C(=O)[O-])n1 ZINC000534647977 323158179 /nfs/dbraw/zinc/15/81/79/323158179.db2.gz YNNLYOCYNHYUPH-VIFPVBQESA-N -1 0 223.276 1.157 50 0 BDAARM Cn1nc(-c2ccccc2C(=O)[O-])ccc1=O ZINC000534669327 323158778 /nfs/dbraw/zinc/15/87/78/323158778.db2.gz JRROSXFLNJMUEA-UHFFFAOYSA-N -1 0 230.223 1.146 50 0 BDAARM CC[C@H](C(=O)[O-])n1ccc(C(F)(F)F)cc1=O ZINC000568089377 326306587 /nfs/dbraw/zinc/30/65/87/326306587.db2.gz UNIRZDFAHXXJCC-SSDOTTSWSA-N -1 0 249.188 1.903 50 0 BDAARM CC(C)(C)OC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000238093588 518854628 /nfs/dbraw/zinc/85/46/28/518854628.db2.gz SFJNIGJEGNLHBQ-ZETCQYMHSA-N -1 0 200.234 1.439 50 0 BDAARM CC[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000242701724 523988338 /nfs/dbraw/zinc/98/83/38/523988338.db2.gz WMPANUWJMFSCAC-IVZWLZJFSA-N -1 0 227.304 1.792 50 0 BDAARM O=C([O-])[C@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000002520441 526328054 /nfs/dbraw/zinc/32/80/54/526328054.db2.gz XZCPPUWLPIPNED-ZETCQYMHSA-N -1 0 241.193 1.402 50 0 BDAARM O=C([O-])c1cc2c(c(Cl)c1)C(=O)OC2=O ZINC000113176082 582863525 /nfs/dbraw/zinc/86/35/25/582863525.db2.gz KEYVVMODSGANOW-UHFFFAOYSA-N -1 0 226.571 1.349 50 0 BDAARM CC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000118890097 589203113 /nfs/dbraw/zinc/20/31/13/589203113.db2.gz QHVGCJNRQYFZQM-QMMMGPOBSA-N -1 0 245.275 1.334 50 0 BDAARM CC[C@H](C)[C@H](NC(=O)/C=C(/C)C1CC1)C(=O)[O-] ZINC000195551129 599743945 /nfs/dbraw/zinc/74/39/45/599743945.db2.gz VSWHBPRBJSYMMN-ZJNNYEJSSA-N -1 0 239.315 1.958 50 0 BDAARM O=C([O-])CCCCC[C@H]1CCNC(=O)N1 ZINC000002485287 642379927 /nfs/dbraw/zinc/37/99/27/642379927.db2.gz QYIKHFHOTWVFHY-QMMMGPOBSA-N -1 0 214.265 1.093 50 0 BDAARM CCOc1ccc2[nH]c(CCC(=O)[O-])nc2c1 ZINC000000441191 642774708 /nfs/dbraw/zinc/77/47/08/642774708.db2.gz GMRDXARYDJGISU-UHFFFAOYSA-N -1 0 234.255 1.979 50 0 BDAARM C[C@@H]1[C@@H](O)CC[C@@]1(C(=O)[O-])c1ccccc1 ZINC000012652429 643077302 /nfs/dbraw/zinc/07/73/02/643077302.db2.gz METRELNUPXWZHY-CDMKHQONSA-N -1 0 220.268 1.800 50 0 BDAARM O=C([O-])[C@@H]1COc2cc(Cl)ccc2C1 ZINC000082965591 644398803 /nfs/dbraw/zinc/39/88/03/644398803.db2.gz VVBVGCQHZSOTOQ-ZETCQYMHSA-N -1 0 212.632 1.976 50 0 BDAARM CCCc1nc(C)cc(NCc2n[nH]c(=O)[n-]2)n1 ZINC000952986099 644450145 /nfs/dbraw/zinc/45/01/45/644450145.db2.gz WUMAEGYAPFWZKQ-UHFFFAOYSA-N -1 0 248.290 1.173 50 0 BDAARM 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Cc1cc2ncc(C(=O)[O-])c(C(F)(F)F)n2n1 ZINC000002384352 178303863 /nfs/dbraw/zinc/30/38/63/178303863.db2.gz BLVZYEUUUQGPHN-UHFFFAOYSA-N -1 0 245.160 1.755 50 0 BDAARM Cc1ccc(-c2nnc(C(=O)[O-])o2)cc1 ZINC000032010228 178339946 /nfs/dbraw/zinc/33/99/46/178339946.db2.gz WVVMKTPNSXQTEI-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM Cc1ccc(-n2c(N)n[n-]c2=S)cc1 ZINC000000087116 178345549 /nfs/dbraw/zinc/34/55/49/178345549.db2.gz ULVKRZRBEMODHS-UHFFFAOYSA-N -1 0 206.274 1.821 50 0 BDAARM Cc1ccc(-n2ccc(=O)c(C(=O)[O-])n2)cc1 ZINC000001394411 178346067 /nfs/dbraw/zinc/34/60/67/178346067.db2.gz BUECKAUXCQHBKN-UHFFFAOYSA-N -1 0 230.223 1.239 50 0 BDAARM Cc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000037410315 178352857 /nfs/dbraw/zinc/35/28/57/178352857.db2.gz BSNKVZSZJNIZDE-MLRMMBSGSA-N -1 0 249.266 1.677 50 0 BDAARM Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])o1 ZINC000037410314 178353139 /nfs/dbraw/zinc/35/31/39/178353139.db2.gz BSNKVZSZJNIZDE-XUIVZRPNSA-N -1 0 249.266 1.677 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000022177320 178386773 /nfs/dbraw/zinc/38/67/73/178386773.db2.gz APKXQOVSNDHCQM-LLVKDONJSA-N -1 0 248.282 1.327 50 0 BDAARM O=C([O-])/C=C/C(=O)NCc1cccc(Cl)c1 ZINC000000101182 342674318 /nfs/dbraw/zinc/67/43/18/342674318.db2.gz HWWOYPJBOMNQIU-SNAWJCMRSA-N -1 0 239.658 1.597 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2F)N1 ZINC000000135108 342676253 /nfs/dbraw/zinc/67/62/53/342676253.db2.gz XGKPPDQTYRFBAP-DTWKUNHWSA-N -1 0 227.260 1.614 50 0 BDAARM CC(C)(C)C(=O)Nc1ncccc1C(=O)[O-] ZINC000000161911 342678356 /nfs/dbraw/zinc/67/83/56/342678356.db2.gz KXLOGMIKCNUSNG-UHFFFAOYSA-N -1 0 222.244 1.764 50 0 BDAARM Nc1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000000167293 342678694 /nfs/dbraw/zinc/67/86/94/342678694.db2.gz IXJFWBNYFTWBOR-UHFFFAOYSA-N -1 0 221.134 1.866 50 0 BDAARM Nc1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000000190751 342679826 /nfs/dbraw/zinc/67/98/26/342679826.db2.gz BFMGSMOYBHOHGI-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1 ZINC000000340612 342684059 /nfs/dbraw/zinc/68/40/59/342684059.db2.gz HNJPLFABNAMDGK-WDEREUQCSA-N -1 0 239.315 1.890 50 0 BDAARM O=C([O-])[C@H]1CC(=O)O[C@@H]1c1ccccc1 ZINC000000345568 342684259 /nfs/dbraw/zinc/68/42/59/342684259.db2.gz LRMTVZBRYDTDCU-WCBMZHEXSA-N -1 0 206.197 1.375 50 0 BDAARM CCS(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000363833 342685215 /nfs/dbraw/zinc/68/52/15/342685215.db2.gz QTHHZXQBCFDQAL-UHFFFAOYSA-N -1 0 229.257 1.146 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000000395921 342686367 /nfs/dbraw/zinc/68/63/67/342686367.db2.gz MOHLVDJRXGVGOM-JTQLQIEISA-N -1 0 219.240 1.262 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NC1CCCC1 ZINC000000475057 342688411 /nfs/dbraw/zinc/68/84/11/342688411.db2.gz GFFQGBWDOUPKBF-GHMZBOCLSA-N -1 0 237.299 1.712 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](c2ccccc2)N1 ZINC000000040086 342670906 /nfs/dbraw/zinc/67/09/06/342670906.db2.gz AZDYQBFYMBALBY-BDAKNGLRSA-N -1 0 209.270 1.475 50 0 biogenic BDAARM Cc1ccc(C2=NN[C@H](C(=O)[O-])C2)cc1 ZINC000001398624 342699943 /nfs/dbraw/zinc/69/99/43/342699943.db2.gz HOZQRLDSYOOAJM-JTQLQIEISA-N -1 0 204.229 1.146 50 0 BDAARM COC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001512442 342702032 /nfs/dbraw/zinc/70/20/32/342702032.db2.gz FCMYFMSWNFVHAC-UHFFFAOYSA-N -1 0 249.675 1.385 50 0 BDAARM O=C([O-])c1nn(-c2ccccc2)cc1O ZINC000001603274 342705369 /nfs/dbraw/zinc/70/53/69/342705369.db2.gz HYHGNSBTVTYOIK-UHFFFAOYSA-N -1 0 204.185 1.276 50 0 BDAARM O=C([O-])c1ccc(Br)cc1O ZINC000001701222 342709986 /nfs/dbraw/zinc/70/99/86/342709986.db2.gz FYAKLZKQJDBBKW-UHFFFAOYSA-N -1 0 217.018 1.853 50 0 BDAARM CC(C)CNC(=O)[N-]C(=O)C(F)(F)F ZINC000001805309 342712684 /nfs/dbraw/zinc/71/26/84/342712684.db2.gz LIEJKPFHAAOVQU-UHFFFAOYSA-N -1 0 212.171 1.031 50 0 BDAARM Cc1cc(C)nc(NCCCC(=O)[O-])n1 ZINC000001857218 342713029 /nfs/dbraw/zinc/71/30/29/342713029.db2.gz BVTPAQUYSVYQDA-UHFFFAOYSA-N -1 0 209.249 1.370 50 0 BDAARM O=C1[N-]S(=O)(=O)c2ccc(Cl)cc21 ZINC000002020482 342714501 /nfs/dbraw/zinc/71/45/01/342714501.db2.gz WGKQCRDCROUYLI-UHFFFAOYSA-N -1 0 217.633 1.347 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000004105015 342742581 /nfs/dbraw/zinc/74/25/81/342742581.db2.gz QTWGHTBKFVANGX-BQBZGAKWSA-N -1 0 241.193 1.624 50 0 BDAARM Cc1ccc(C)c2c(O)c(C(=O)[O-])cnc12 ZINC000004159144 342743399 /nfs/dbraw/zinc/74/33/99/342743399.db2.gz DJOCEZXDNSFDGF-UHFFFAOYSA-N -1 0 217.224 1.843 50 0 BDAARM O=C([O-])c1cccc(CN2CCCC2=O)c1 ZINC000004218288 342744539 /nfs/dbraw/zinc/74/45/39/342744539.db2.gz FBSKZMIDVIXNCN-UHFFFAOYSA-N -1 0 219.240 1.507 50 0 BDAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)[nH]n1 ZINC000004243857 342745330 /nfs/dbraw/zinc/74/53/30/342745330.db2.gz LMXODXZANYFXPY-UHFFFAOYSA-N -1 0 232.195 1.504 50 0 BDAARM O=C([O-])c1ccc(-n2cnnc2)cc1Cl ZINC000004342590 342746912 /nfs/dbraw/zinc/74/69/12/342746912.db2.gz QCFSKUCISZXKOB-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM CSc1nsc(SC)c1-c1nn[nH]n1 ZINC000004389430 342747344 /nfs/dbraw/zinc/74/73/44/342747344.db2.gz XXEXPXRVSWVUJW-UHFFFAOYSA-N -1 0 245.358 1.767 50 0 BDAARM CCCCSc1ncc(OC)c(=O)[n-]1 ZINC000004531189 342748817 /nfs/dbraw/zinc/74/88/17/342748817.db2.gz MFQHWMSVUPFLCJ-UHFFFAOYSA-N -1 0 214.290 1.671 50 0 BDAARM C[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002526566 342722687 /nfs/dbraw/zinc/72/26/87/342722687.db2.gz GDQRNRYMFXDGMS-ZCFIWIBFSA-N -1 0 203.238 1.232 50 0 BDAARM COC(=O)C=C([O-])c1ccc(F)cc1F ZINC000002575892 342725225 /nfs/dbraw/zinc/72/52/25/342725225.db2.gz SHYGKBSEUWXPBM-UHFFFAOYSA-N -1 0 214.167 1.711 50 0 BDAARM Cn1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC000002766871 342726957 /nfs/dbraw/zinc/72/69/57/342726957.db2.gz NMMAJCMYZUXSME-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM COc1cc(C=O)c(Cl)cc1OCC(=O)[O-] ZINC000002771056 342727007 /nfs/dbraw/zinc/72/70/07/342727007.db2.gz LNHVLHKQMJQEHS-UHFFFAOYSA-N -1 0 244.630 1.625 50 0 BDAARM O=C([O-])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003097863 342730223 /nfs/dbraw/zinc/73/02/23/342730223.db2.gz 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1.526 50 0 BDAARM Cc1cc(C)n(-c2ccc3n[n-]c(=S)n3n2)n1 ZINC000022779538 259320322 /nfs/dbraw/zinc/32/03/22/259320322.db2.gz DZNOFTCHHLFURA-UHFFFAOYSA-N -1 0 246.299 1.216 50 0 BDAARM CC(=O)N(CC(=O)[O-])c1ccccc1Cl ZINC000005613223 342789344 /nfs/dbraw/zinc/78/93/44/342789344.db2.gz AUTVKOPARNLNSJ-UHFFFAOYSA-N -1 0 227.647 1.778 50 0 BDAARM Cn1cnnc1SCc1ccc(C(=O)[O-])o1 ZINC000009596200 342821439 /nfs/dbraw/zinc/82/14/39/342821439.db2.gz UINASWJTVOUWEW-UHFFFAOYSA-N -1 0 239.256 1.399 50 0 BDAARM Cc1c(C(=O)[O-])sc2[nH]cnc(=O)c12 ZINC000008914169 342805779 /nfs/dbraw/zinc/80/57/79/342805779.db2.gz CYNGLBSDKJIAOD-UHFFFAOYSA-N -1 0 210.214 1.404 50 0 BDAARM Cc1cc(C(=O)[O-])nn1-c1nc(C)cc(C)n1 ZINC000011567126 342841570 /nfs/dbraw/zinc/84/15/70/342841570.db2.gz CGTWWBOASFVOGB-UHFFFAOYSA-N -1 0 232.243 1.286 50 0 BDAARM Cn1cc(C(=O)[O-])c(=O)c2cc(Cl)ccc21 ZINC000012481392 342852699 /nfs/dbraw/zinc/85/26/99/342852699.db2.gz LJLOUFZTLYUARB-UHFFFAOYSA-N -1 0 237.642 1.890 50 0 BDAARM O=C([O-])c1ccc(CCNC(=O)C2CCC2)cc1 ZINC000013442632 342867000 /nfs/dbraw/zinc/86/70/00/342867000.db2.gz OGFMBBFHOYLWPS-UHFFFAOYSA-N -1 0 247.294 1.844 50 0 BDAARM CC(C)(C)n1nnc2cc(C(=O)[O-])ccc21 ZINC000013681534 342870419 /nfs/dbraw/zinc/87/04/19/342870419.db2.gz PIEIBXKCDFTGNA-UHFFFAOYSA-N -1 0 219.244 1.885 50 0 BDAARM O=C([O-])c1cnc(-c2ccccn2)nc1 ZINC000019091373 342941353 /nfs/dbraw/zinc/94/13/53/342941353.db2.gz PGHKQASEGLDCRU-UHFFFAOYSA-N -1 0 201.185 1.237 50 0 BDAARM O=C([O-])c1ccc(OC[C@@H]2CCCO2)nc1 ZINC000019399950 342947424 /nfs/dbraw/zinc/94/74/24/342947424.db2.gz KPSZPJTYJAGKSF-VIFPVBQESA-N -1 0 223.228 1.338 50 0 BDAARM Cc1ccc2[nH]c(COCC(=O)[O-])nc2c1C ZINC000019737142 342955884 /nfs/dbraw/zinc/95/58/84/342955884.db2.gz HETFWMKZNCFNNK-UHFFFAOYSA-N -1 0 234.255 1.781 50 0 BDAARM O=C([O-])c1cn(-c2ccc(F)cc2)nn1 ZINC000020216574 342977622 /nfs/dbraw/zinc/97/76/22/342977622.db2.gz CCCIZOONJWEKRR-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM CC[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000020205573 342977176 /nfs/dbraw/zinc/97/71/76/342977176.db2.gz NPLJOCSZXQGUCZ-MRVPVSSYSA-N -1 0 213.277 1.356 50 0 BDAARM CCOc1cccc2c1OCC(C(=O)[O-])=C2 ZINC000020284912 342980741 /nfs/dbraw/zinc/98/07/41/342980741.db2.gz PYVWLZQNVFPMGA-UHFFFAOYSA-N -1 0 220.224 1.946 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000020285016 342980775 /nfs/dbraw/zinc/98/07/75/342980775.db2.gz AJEBWVIODHBWMC-VIFPVBQESA-N -1 0 211.261 1.252 50 0 BDAARM Cc1c(C(F)(F)F)c(C(=O)[O-])nn1C ZINC000020357812 342983638 /nfs/dbraw/zinc/98/36/38/342983638.db2.gz QJPFFZPJSZEQCK-UHFFFAOYSA-N -1 0 208.139 1.446 50 0 BDAARM O=C([O-])c1cccc(-c2cnccn2)c1 ZINC000020446473 342985729 /nfs/dbraw/zinc/98/57/29/342985729.db2.gz FQEYELBTYMODMC-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM O=S(=O)([O-])c1ccc2c(c1)NCCC2 ZINC000021301092 343009325 /nfs/dbraw/zinc/00/93/25/343009325.db2.gz VWQWATUHZIFCIR-UHFFFAOYSA-N -1 0 213.258 1.291 50 0 BDAARM Cc1noc2c1-c1c(c(C(=O)[O-])nn1C)CC2 ZINC000021365064 343011662 /nfs/dbraw/zinc/01/16/62/343011662.db2.gz MGSVFOUWVWEMET-UHFFFAOYSA-N -1 0 233.227 1.180 50 0 BDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(C)cc1 ZINC000022129945 343041003 /nfs/dbraw/zinc/04/10/03/343041003.db2.gz NGKNKSOOFHUJQF-DGCLKSJQSA-N -1 0 247.294 1.989 50 0 BDAARM O=C([O-])c1ccc(=O)n(-c2ccccc2F)n1 ZINC000021954461 343029853 /nfs/dbraw/zinc/02/98/53/343029853.db2.gz JGQPBHPEMZZFQM-UHFFFAOYSA-N -1 0 234.186 1.070 50 0 BDAARM O=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000026513703 343106602 /nfs/dbraw/zinc/10/66/02/343106602.db2.gz VMURDAHWBSKSRM-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM CO[N-]C(=O)COc1ccc(C)cc1OC ZINC000025821504 343095982 /nfs/dbraw/zinc/09/59/82/343095982.db2.gz YEBZKMWVAQUTLC-UHFFFAOYSA-N -1 0 225.244 1.060 50 0 BDAARM CC(C)(C)c1ccc2c(c1)C(=O)NC2=O ZINC000000208543 187244542 /nfs/dbraw/zinc/24/45/42/187244542.db2.gz MQAXXSNRKXXVON-UHFFFAOYSA-N -1 0 203.241 1.868 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccccc1Cl ZINC000000053881 187244149 /nfs/dbraw/zinc/24/41/49/187244149.db2.gz YZGAQJUBGHWISG-AATRIKPKSA-N -1 0 225.631 1.919 50 0 BDAARM CC1(C)S[C@@H](c2cccnc2)N[C@@H]1C(=O)[O-] ZINC000004640739 187246668 /nfs/dbraw/zinc/24/66/68/187246668.db2.gz WFIBNIODPWJRHK-BDAKNGLRSA-N -1 0 238.312 1.648 50 0 BDAARM CC(=O)N/C(=C\c1ccccc1)C(=O)[O-] ZINC000004521087 187247292 /nfs/dbraw/zinc/24/72/92/187247292.db2.gz XODAOBAZOQSFDS-YFHOEESVSA-N -1 0 205.213 1.248 50 0 in-vitro BDAARM O=C([O-])c1cc(OCc2ccccc2)no1 ZINC000031776850 343224399 /nfs/dbraw/zinc/22/43/99/343224399.db2.gz GNUCOZFGZRKXGK-UHFFFAOYSA-N -1 0 219.196 1.952 50 0 BDAARM O=C([O-])[C@H](O)Cc1ccc(Cl)cc1 ZINC000032009967 343228195 /nfs/dbraw/zinc/22/81/95/343228195.db2.gz HWVHXAYPEXNZSZ-MRVPVSSYSA-N -1 0 200.621 1.328 50 0 BDAARM O=C([O-])/C=C/C(=O)NCCC1=CCCCC1 ZINC000012363081 187250783 /nfs/dbraw/zinc/25/07/83/187250783.db2.gz DUMIYBZROAZLRP-VOTSOKGWSA-N -1 0 223.272 1.634 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@]23CCCC[C@@H]2CC(=O)N13 ZINC000032629183 343239207 /nfs/dbraw/zinc/23/92/07/343239207.db2.gz XIUGRKJHDQXGDS-FYBVGQRMSA-N -1 0 241.312 1.305 50 0 BDAARM CC(C)CN(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC000036756924 343323823 /nfs/dbraw/zinc/32/38/23/343323823.db2.gz ZRLPDCXLEKQXIY-UHFFFAOYSA-N -1 0 236.271 1.508 50 0 BDAARM Cc1ccc(N2C(=O)[N-]C(=O)C2=O)c(C)c1 ZINC000036924144 343328030 /nfs/dbraw/zinc/32/80/30/343328030.db2.gz MBBYXQUIBXIEHL-UHFFFAOYSA-N -1 0 218.212 1.727 50 0 BDAARM O=C([O-])c1cnc(-c2cccc(F)c2)nc1 ZINC000035323360 343293832 /nfs/dbraw/zinc/29/38/32/343293832.db2.gz DYPNEVXAPRDVCM-UHFFFAOYSA-N -1 0 218.187 1.981 50 0 BDAARM CC(C)(C)n1ccnc1SCC(=O)[O-] ZINC000020581924 187253606 /nfs/dbraw/zinc/25/36/06/187253606.db2.gz NFHIYVCGVVINQH-UHFFFAOYSA-N -1 0 214.290 1.815 50 0 BDAARM O=C([O-])[C@H]1CCCN1c1nc2ccccc2o1 ZINC000038008206 343364860 /nfs/dbraw/zinc/36/48/60/343364860.db2.gz XZDROSVGWGPGLE-SECBINFHSA-N -1 0 232.239 1.881 50 0 BDAARM Nc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000038246977 343373111 /nfs/dbraw/zinc/37/31/11/343373111.db2.gz KGAHVTPLUOJADL-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM O=C([O-])c1cc(F)ccc1-n1ccnc1 ZINC000037234132 343340423 /nfs/dbraw/zinc/34/04/23/343340423.db2.gz URPMRXHWRPAAQS-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1OC(F)F ZINC000037289420 343342906 /nfs/dbraw/zinc/34/29/06/343342906.db2.gz MGYAZPUZFPMDPX-UHFFFAOYSA-N -1 0 203.144 1.568 50 0 BDAARM COc1nc(C(=O)[O-])cc2ccccc21 ZINC000036951529 187259064 /nfs/dbraw/zinc/25/90/64/187259064.db2.gz NWNVQKMMXJLWEE-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 BDAARM O=C([O-])c1ncccc1OCC(F)(F)F ZINC000042393955 343436704 /nfs/dbraw/zinc/43/67/04/343436704.db2.gz ZYVCUJPSTZGVCU-UHFFFAOYSA-N -1 0 221.134 1.721 50 0 BDAARM CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000075286094 187261541 /nfs/dbraw/zinc/26/15/41/187261541.db2.gz WGRRDHAJYZWLGI-QMMMGPOBSA-N -1 0 221.256 1.908 50 0 BDAARM COC(=O)C=C([O-])c1cc(-c2ccncc2)[nH]n1 ZINC000048623126 343584415 /nfs/dbraw/zinc/58/44/15/343584415.db2.gz VRBZBTAEZNQVQU-UHFFFAOYSA-N -1 0 245.238 1.218 50 0 BDAARM COC(=O)C=C([O-])c1cc(C(C)C)on1 ZINC000048622975 343584518 /nfs/dbraw/zinc/58/45/18/343584518.db2.gz ILMGOMGTJWWEHQ-UHFFFAOYSA-N -1 0 211.217 1.544 50 0 BDAARM O=C([O-])c1ncccc1OCC(F)F ZINC000042394428 187265465 /nfs/dbraw/zinc/26/54/65/187265465.db2.gz NFSQUJUXRVJKAL-UHFFFAOYSA-N -1 0 203.144 1.424 50 0 BDAARM CCc1nc2ccccc2nc1C(=O)[O-] ZINC000077297221 343679036 /nfs/dbraw/zinc/67/90/36/343679036.db2.gz WNDWZLHGXMAFKQ-UHFFFAOYSA-N -1 0 202.213 1.890 50 0 BDAARM CC(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)[O-] ZINC000043830588 187268244 /nfs/dbraw/zinc/26/82/44/187268244.db2.gz OVIKNVWLRJDMGL-YFKPBYRVSA-N -1 0 226.257 1.216 50 0 BDAARM COc1cc(C(=O)[O-])cc(OC)c1F ZINC000215012856 349850414 /nfs/dbraw/zinc/85/04/14/349850414.db2.gz LDJAUDBJSALIOX-UHFFFAOYSA-N -1 0 200.165 1.541 50 0 BDAARM [O-]c1cnn(CCOCc2ccccc2)c1 ZINC000306564250 343797579 /nfs/dbraw/zinc/79/75/79/343797579.db2.gz WRKXNOQALBKFBG-UHFFFAOYSA-N -1 0 218.256 1.806 50 0 BDAARM O=C([O-])[C@H]1O[C@@H]1c1cccc(Br)c1 ZINC000067801492 187274564 /nfs/dbraw/zinc/27/45/64/187274564.db2.gz SHWHXBLSGCUWEC-SFYZADRCSA-N -1 0 243.056 1.974 50 0 BDAARM Cc1cnc(NC(=O)CSCC(=O)[O-])s1 ZINC000004670457 343941631 /nfs/dbraw/zinc/94/16/31/343941631.db2.gz CEGILSOGPJHAMF-UHFFFAOYSA-N -1 0 246.313 1.208 50 0 BDAARM CC1(C)CCc2[nH]c(=O)c(C(=O)[O-])cc2C1 ZINC000070654667 343953213 /nfs/dbraw/zinc/95/32/13/343953213.db2.gz HPGVNQSYTFVGDG-UHFFFAOYSA-N -1 0 221.256 1.588 50 0 BDAARM O=C([O-])c1ccc([C@H]2[NH2+]CCS2)cc1 ZINC000096170749 187288675 /nfs/dbraw/zinc/28/86/75/187288675.db2.gz UTTIYBPPXHPJEA-VIFPVBQESA-N -1 0 209.270 1.720 50 0 BDAARM O=C([O-])C1=CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000585134227 344146984 /nfs/dbraw/zinc/14/69/84/344146984.db2.gz IZYCWDQNWOYGAH-SNVBAGLBSA-N -1 0 235.283 1.586 50 0 BDAARM C[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000570709227 323068076 /nfs/dbraw/zinc/06/80/76/323068076.db2.gz HANUURUCTLXTNB-CNUIFLNQSA-N -1 0 211.261 1.012 50 0 BDAARM O=C(C=C([O-])c1ccco1)C(F)(F)F ZINC000100012729 187290686 /nfs/dbraw/zinc/29/06/86/187290686.db2.gz OWLPCALGCHDBCN-UHFFFAOYSA-N -1 0 206.119 1.984 50 0 BDAARM O=C(C=C([O-])C(F)(F)F)C(F)(F)F ZINC000100005007 187290690 /nfs/dbraw/zinc/29/06/90/187290690.db2.gz QAMFBRUWYYMMGJ-UHFFFAOYSA-N -1 0 208.057 1.639 50 0 BDAARM CN(C)c1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000000151625 344572027 /nfs/dbraw/zinc/57/20/27/344572027.db2.gz NAQFNLAJASANEF-UHFFFAOYSA-N -1 0 232.239 1.292 50 0 BDAARM CC(C)OC(=O)c1ccncc1C(=O)[O-] ZINC000072233330 344518546 /nfs/dbraw/zinc/51/85/46/344518546.db2.gz SOSYCBCFTXRXPS-UHFFFAOYSA-N -1 0 209.201 1.345 50 0 BDAARM Cn1cccc1-c1nnc2ccc(C(=O)[O-])cn21 ZINC000072233438 344519373 /nfs/dbraw/zinc/51/93/73/344519373.db2.gz SSDBKUJNGRXEEK-UHFFFAOYSA-N -1 0 242.238 1.433 50 0 BDAARM Cc1ccc(F)cc1-c1nnc(C(=O)[O-])o1 ZINC000128221907 178681264 /nfs/dbraw/zinc/68/12/64/178681264.db2.gz VZIMINPJDSNVQI-UHFFFAOYSA-N -1 0 222.175 1.882 50 0 BDAARM CCOC(=O)N1CCC([C@@H](CC)C(=O)[O-])CC1 ZINC000116929371 537911970 /nfs/dbraw/zinc/91/19/70/537911970.db2.gz VGLQLAJJBRIHSV-SNVBAGLBSA-N -1 0 243.303 1.966 50 0 BDAARM Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000022223654 179007530 /nfs/dbraw/zinc/00/75/30/179007530.db2.gz MYTFMYCKRMLWAB-LLVKDONJSA-N -1 0 248.282 1.469 50 0 BDAARM Cc1cccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000062912757 179010934 /nfs/dbraw/zinc/01/09/34/179010934.db2.gz GXOXPFDWDWEGIQ-CYBMUJFWSA-N -1 0 248.282 1.327 50 0 BDAARM O=C([O-])c1cc(C(F)(F)F)nc(Cl)n1 ZINC000034453857 346289133 /nfs/dbraw/zinc/28/91/33/346289133.db2.gz NRCWKOWKCBXOBR-UHFFFAOYSA-N -1 0 226.541 1.847 50 0 BDAARM CCc1c([O-])[nH]c2cc(OC)ccc2c1=O ZINC000000344028 346413601 /nfs/dbraw/zinc/41/36/01/346413601.db2.gz YKDQPUXVFDARIG-UHFFFAOYSA-N -1 0 219.240 1.805 50 0 BDAARM Cc1ccc2c(n1)sc1c2[n-]cnc1=O ZINC000000335581 346417488 /nfs/dbraw/zinc/41/74/88/346417488.db2.gz GDMPYBFFQIZIHQ-UHFFFAOYSA-N -1 0 217.253 1.841 50 0 BDAARM CSc1nc2cc(S(=O)(=O)[O-])ccc2[nH]1 ZINC000006381829 346647968 /nfs/dbraw/zinc/64/79/68/346647968.db2.gz PSSILXDITYQPEA-UHFFFAOYSA-N -1 0 244.297 1.532 50 0 BDAARM Nc1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000005939880 346633223 /nfs/dbraw/zinc/63/32/23/346633223.db2.gz VZYOWBULYLPMGR-UHFFFAOYSA-N -1 0 238.268 1.251 50 0 BDAARM CN(C)c1nc(-c2ccccc2)nc(=O)[n-]1 ZINC000008637129 346679046 /nfs/dbraw/zinc/67/90/46/346679046.db2.gz SEXOLEOEFAQRFT-UHFFFAOYSA-N -1 0 216.244 1.310 50 0 BDAARM Cc1ccccc1-c1nc(CC(=O)[O-])no1 ZINC000019682164 179238047 /nfs/dbraw/zinc/23/80/47/179238047.db2.gz YPOHIZLICWFZTP-UHFFFAOYSA-N -1 0 218.212 1.672 50 0 BDAARM Cc1ccc(C2=NO[C@@H](C(=O)[O-])C2)cc1 ZINC000020594141 347518431 /nfs/dbraw/zinc/51/84/31/347518431.db2.gz SRKDYOFJHOCKES-SNVBAGLBSA-N -1 0 205.213 1.573 50 0 BDAARM Cc1c[nH]c(CN2CCCC[C@@H]2C(=O)[O-])n1 ZINC000534647976 323158169 /nfs/dbraw/zinc/15/81/69/323158169.db2.gz YNNLYOCYNHYUPH-SECBINFHSA-N -1 0 223.276 1.157 50 0 BDAARM Cc1cccnc1NC(=O)CCCC(=O)[O-] ZINC000000267109 179388433 /nfs/dbraw/zinc/38/84/33/179388433.db2.gz PJICBMYEQGWUIH-UHFFFAOYSA-N -1 0 222.244 1.583 50 0 BDAARM Cc1cscc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000086815019 179802955 /nfs/dbraw/zinc/80/29/55/179802955.db2.gz IIGDGSNMNQALNN-ZETCQYMHSA-N -1 0 227.285 1.650 50 0 BDAARM Cc1nc([C@@H]2CCOC2)sc1C(=O)[O-] ZINC000051691237 180046203 /nfs/dbraw/zinc/04/62/03/180046203.db2.gz YCYAFPPJVNYIHM-ZCFIWIBFSA-N -1 0 213.258 1.654 50 0 BDAARM Cc1nc2c(C(=O)[O-])cccc2c(=O)o1 ZINC000071773686 180062764 /nfs/dbraw/zinc/06/27/64/180062764.db2.gz SXGDKPZZZMOLHX-UHFFFAOYSA-N -1 0 205.169 1.195 50 0 BDAARM CCCCC(=O)N1CSC[C@H]1C(=O)[O-] ZINC000019429825 168615366 /nfs/dbraw/zinc/61/53/66/168615366.db2.gz IJRFVNUUNPFCSH-ZETCQYMHSA-N -1 0 217.290 1.163 50 0 BDAARM Cc1nc2nc(C)c(CCC(=O)[O-])c(C)n2n1 ZINC000004975447 180113897 /nfs/dbraw/zinc/11/38/97/180113897.db2.gz MKEJYGMTOSXNLM-UHFFFAOYSA-N -1 0 234.259 1.067 50 0 BDAARM Cc1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000018164687 180114747 /nfs/dbraw/zinc/11/47/47/180114747.db2.gz ZQRPTUWOEBVAFY-UHFFFAOYSA-N -1 0 226.239 1.805 50 0 BDAARM CCCCC(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000019429823 168614955 /nfs/dbraw/zinc/61/49/55/168614955.db2.gz IJRFVNUUNPFCSH-SSDOTTSWSA-N -1 0 217.290 1.163 50 0 BDAARM O=C([O-])[C@@H]1CSCN1Cc1ccccc1 ZINC000040449118 350364846 /nfs/dbraw/zinc/36/48/46/350364846.db2.gz MIGLKSVCVLGQGO-JTQLQIEISA-N -1 0 223.297 1.646 50 0 BDAARM CC(C)(C)CN1CSC[C@H]1C(=O)[O-] ZINC000040449120 350365061 /nfs/dbraw/zinc/36/50/61/350365061.db2.gz KHXAGJRPHYTRMT-ZETCQYMHSA-N -1 0 203.307 1.492 50 0 BDAARM Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000002571532 180329224 /nfs/dbraw/zinc/32/92/24/180329224.db2.gz NUKGCQCRPBZDMM-UHFFFAOYSA-N -1 0 237.646 1.927 50 0 BDAARM Cc1nn(C)cc1-c1cc(C(=O)[O-])on1 ZINC000002538060 180365503 /nfs/dbraw/zinc/36/55/03/180365503.db2.gz JMBLIUHKCUGQRU-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM Cc1nnc(-c2cccc(C(=O)[O-])c2)o1 ZINC000032010224 180396168 /nfs/dbraw/zinc/39/61/68/180396168.db2.gz DYKMCOQUESTIOY-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM Cc1nnc(C)n1-c1ccccc1C(=O)[O-] ZINC000004344101 180399726 /nfs/dbraw/zinc/39/97/26/180399726.db2.gz DZFUZPRUJIVZBA-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1ocnc1C(=O)N(CCC(=O)[O-])C1CC1 ZINC000097035457 180545551 /nfs/dbraw/zinc/54/55/51/180545551.db2.gz PITIDUKENOHVSP-UHFFFAOYSA-N -1 0 238.243 1.062 50 0 BDAARM Cn1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000000136098 180687355 /nfs/dbraw/zinc/68/73/55/180687355.db2.gz CGFLTCVMZJDNKM-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM Cn1ccc(CNc2ccc(C(=O)[O-])cc2)n1 ZINC000020353785 180705268 /nfs/dbraw/zinc/70/52/68/180705268.db2.gz XFKUCUDIEVMORB-UHFFFAOYSA-N -1 0 231.255 1.730 50 0 BDAARM Cn1ccc2c1cccc2OCC(=O)[O-] ZINC000071118700 180714392 /nfs/dbraw/zinc/71/43/92/180714392.db2.gz BWHFSSFGKUEGNJ-UHFFFAOYSA-N -1 0 205.213 1.642 50 0 BDAARM C/C=C(/C)C(=O)N(CCC(=O)[O-])C(C)C ZINC000097035604 188017073 /nfs/dbraw/zinc/01/70/73/188017073.db2.gz PAXJPMWRODRQHA-UITAMQMPSA-N -1 0 213.277 1.664 50 0 BDAARM O=C([O-])c1nc(F)ccc1OC(F)F ZINC000263624757 188020097 /nfs/dbraw/zinc/02/00/97/188020097.db2.gz TYBJKYTWCHZBFU-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM CC(C)C[C@@H](Nc1ncnc2nc[nH]c21)C(=O)[O-] ZINC000002135680 363295335 /nfs/dbraw/zinc/29/53/35/363295335.db2.gz CHFPMAUBZFXAIO-SSDOTTSWSA-N -1 0 249.274 1.264 50 0 BDAARM Cc1noc(C)c1CN=c1[n-]nc2ccccn21 ZINC000346376248 354903771 /nfs/dbraw/zinc/90/37/71/354903771.db2.gz INYUCVFPVSPQJO-UHFFFAOYSA-N -1 0 243.270 1.368 50 0 BDAARM O=C([O-])c1cc(Nc2ccccc2)[nH]n1 ZINC000039085255 356370736 /nfs/dbraw/zinc/37/07/36/356370736.db2.gz ANVPGYMMKLLXSY-UHFFFAOYSA-N -1 0 203.201 1.852 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000019518513 356484454 /nfs/dbraw/zinc/48/44/54/356484454.db2.gz LKMAPZFSIYORAG-QWRGUYRKSA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])c1c(-c2c[nH]cn2)noc1C(F)F ZINC000675057400 538480234 /nfs/dbraw/zinc/48/02/34/538480234.db2.gz GCXXAQWEGYTFCM-UHFFFAOYSA-N -1 0 229.142 1.701 50 0 BDAARM CC(C)c1onc(-c2cncn2C)c1C(=O)[O-] ZINC000090167107 538591793 /nfs/dbraw/zinc/59/17/93/538591793.db2.gz LCNIWWMXXWHUBE-UHFFFAOYSA-N -1 0 235.243 1.897 50 0 BDAARM C[C@H]1CCO[C@@H]1C(=O)Nc1cc(O)cc(F)c1 ZINC000095979232 538612008 /nfs/dbraw/zinc/61/20/08/538612008.db2.gz NKBXWWFLZJQBHE-CPCISQLKSA-N -1 0 239.246 1.895 50 0 BDAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC1 ZINC000012940374 538778187 /nfs/dbraw/zinc/77/81/87/538778187.db2.gz FVKIAGDBLUYCRK-UHFFFAOYSA-N -1 0 211.648 1.892 50 0 BDAARM CO[C@@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000169148497 134249347 /nfs/dbraw/zinc/24/93/47/134249347.db2.gz SAXWQSZZEBGNSL-VHSXEESVSA-N -1 0 243.303 1.267 50 0 BDAARM COc1cc(C=O)cc(Br)c1[O-] ZINC000000056430 358074068 /nfs/dbraw/zinc/07/40/68/358074068.db2.gz KLSHZDPXXKAHIJ-UHFFFAOYSA-N -1 0 231.045 1.976 50 0 BDAARM O=C([O-])c1ccc(Sc2cn[nH]n2)nc1 ZINC000215764684 358183880 /nfs/dbraw/zinc/18/38/80/358183880.db2.gz KMIWVZHXLOBYEE-UHFFFAOYSA-N -1 0 222.229 1.049 50 0 BDAARM O=C([O-])c1coc(NC[C@H]2CCC[C@H](O)C2)n1 ZINC000227819792 358364618 /nfs/dbraw/zinc/36/46/18/358364618.db2.gz BWKDLKKDKLBVRY-YUMQZZPRSA-N -1 0 240.259 1.336 50 0 BDAARM Cc1n[n-]c(=NC[C@@H]2CCO[C@H](C(C)C)C2)o1 ZINC000578834900 366655379 /nfs/dbraw/zinc/65/53/79/366655379.db2.gz HWSZOQUTFWMFJV-MNOVXSKESA-N -1 0 239.319 1.663 50 0 BDAARM C[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000036369994 360483323 /nfs/dbraw/zinc/48/33/23/360483323.db2.gz VCIJMXANKNMVSH-VIFPVBQESA-N -1 0 246.266 1.231 50 0 biogenic BDAARM Cc1ccc2c(c1)O[C@]([O-])(C(F)(F)F)C(=O)N2 ZINC000002066523 360533063 /nfs/dbraw/zinc/53/30/63/360533063.db2.gz HTRVKJBHLMXDHV-VIFPVBQESA-N -1 0 247.172 1.577 50 0 BDAARM O=C([O-])Cc1ccc(F)nc1C(F)(F)F ZINC000238691864 361180196 /nfs/dbraw/zinc/18/01/96/361180196.db2.gz ZOSGZXDCXAWFFZ-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM COC(=O)CSc1ncccc1C(=O)[O-] ZINC000036965647 361585296 /nfs/dbraw/zinc/58/52/96/361585296.db2.gz WWVHXGKYEMNACJ-UHFFFAOYSA-N -1 0 227.241 1.045 50 0 BDAARM Nc1cccc(-c2cc(C(=O)[O-])n[nH]2)c1 ZINC000083185726 541451412 /nfs/dbraw/zinc/45/14/12/541451412.db2.gz NSSABQHXORRXMC-UHFFFAOYSA-N -1 0 203.201 1.357 50 0 BDAARM CCS(=O)(=O)c1ccccc1CC(=O)[O-] ZINC000113241784 368887883 /nfs/dbraw/zinc/88/78/83/368887883.db2.gz JPXINKRXIZLWNV-UHFFFAOYSA-N -1 0 228.269 1.107 50 0 BDAARM O=C([O-])c1cn(-c2cccc(F)c2)nn1 ZINC000020216563 368977406 /nfs/dbraw/zinc/97/74/06/368977406.db2.gz ZQZMKSXUZMTNJO-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM COC(=O)c1ccc(C(F)(F)C(=O)[O-])cc1 ZINC000115148216 370626367 /nfs/dbraw/zinc/62/63/67/370626367.db2.gz WTJPXUVGZGEYFP-UHFFFAOYSA-N -1 0 230.166 1.650 50 0 BDAARM O=C([O-])[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(F)cc1 ZINC000013400551 371059970 /nfs/dbraw/zinc/05/99/70/371059970.db2.gz GDVQTWSMSQVCRX-IEBDPFPHSA-N -1 0 249.241 1.371 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000000785071 181678890 /nfs/dbraw/zinc/67/88/90/181678890.db2.gz QXWKTXWBBLXQFC-UHFFFAOYSA-N -1 0 206.245 1.567 50 0 BDAARM Nc1ccc(OCCCC(=O)[O-])cc1N ZINC000096319362 181721644 /nfs/dbraw/zinc/72/16/44/181721644.db2.gz MHCFCJHKCDQEGY-UHFFFAOYSA-N -1 0 210.233 1.095 50 0 BDAARM O=C([O-])C1(NC(=O)OCc2ccccc2)CC1 ZINC000000402824 182088503 /nfs/dbraw/zinc/08/85/03/182088503.db2.gz KHINKCGJKZSHAJ-UHFFFAOYSA-N -1 0 235.239 1.530 50 0 BDAARM O=C([O-])C1(NC(=O)c2ccsc2)CCC1 ZINC000088048603 182089116 /nfs/dbraw/zinc/08/91/16/182089116.db2.gz VADXDJLIHOEIEW-UHFFFAOYSA-N -1 0 225.269 1.485 50 0 BDAARM O=C([O-])c1ccc(C=NN2CN=NC2=S)cc1 ZINC000245285101 373249998 /nfs/dbraw/zinc/24/99/98/373249998.db2.gz VUSGKCMLPMCGPA-UHFFFAOYSA-N -1 0 248.267 1.147 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 ZINC000001767985 182311231 /nfs/dbraw/zinc/31/12/31/182311231.db2.gz ZNRUEEQIUVKKBL-GHMZBOCLSA-N -1 0 249.266 1.776 50 0 BDAARM O=C([O-])[C@@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000022145824 182322601 /nfs/dbraw/zinc/32/26/01/182322601.db2.gz YIJGOMNGXUWPBP-NSHDSACASA-N -1 0 245.234 1.835 50 0 BDAARM O=C([O-])CCCNc1nc(F)cc(F)n1 ZINC000002601088 182440362 /nfs/dbraw/zinc/44/03/62/182440362.db2.gz UNJNYBFFPCZPKH-UHFFFAOYSA-N -1 0 217.175 1.032 50 0 BDAARM O=C([O-])CCNC(=O)CCC(=O)c1ccccc1 ZINC000004219094 182445604 /nfs/dbraw/zinc/44/56/04/182445604.db2.gz AXWVDNBRCWUIRN-UHFFFAOYSA-N -1 0 249.266 1.240 50 0 BDAARM O=C([O-])CCc1nc(-c2ccsc2)no1 ZINC000004218395 182456554 /nfs/dbraw/zinc/45/65/54/182456554.db2.gz VOHGDZLOSDQUFU-UHFFFAOYSA-N -1 0 224.241 1.815 50 0 BDAARM O=C([O-])CSc1nc(-c2ccccc2)no1 ZINC000005604593 182473245 /nfs/dbraw/zinc/47/32/45/182473245.db2.gz RTJIRQSSLPUVKV-UHFFFAOYSA-N -1 0 236.252 1.913 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccn1 ZINC000000214326 182509373 /nfs/dbraw/zinc/50/93/73/182509373.db2.gz BEYYWYBNNIFKOZ-NXEZZACHSA-N -1 0 248.282 1.911 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000238851177 182521894 /nfs/dbraw/zinc/52/18/94/182521894.db2.gz FRLOYHRLDJWDJX-MXWKQRLJSA-N -1 0 247.298 1.699 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000000266772 182531710 /nfs/dbraw/zinc/53/17/10/182531710.db2.gz WXPXDXDHJYRETJ-NSHDSACASA-N -1 0 233.267 1.162 50 0 BDAARM O=C([O-])[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000020283783 182532365 /nfs/dbraw/zinc/53/23/65/182532365.db2.gz TXCSUIQCEFRHID-SECBINFHSA-N -1 0 209.176 1.403 50 0 BDAARM O=C([O-])c1cc(-c2ccc(O)cc2)[nH]n1 ZINC000008914394 182549281 /nfs/dbraw/zinc/54/92/81/182549281.db2.gz YAYDMJNTBGROTD-UHFFFAOYSA-N -1 0 204.185 1.481 50 0 BDAARM O=C([O-])c1cc2c(ccc3oc(=O)ccc23)[nH]1 ZINC000034566714 182558981 /nfs/dbraw/zinc/55/89/81/182558981.db2.gz RFPKLZYBDZWDLD-UHFFFAOYSA-N -1 0 229.191 1.973 50 0 BDAARM O=C([O-])c1cc(-n2cnnc2)ccc1Cl ZINC000004414081 182552033 /nfs/dbraw/zinc/55/20/33/182552033.db2.gz MYPYOBGBVHWJOE-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000050958938 182568323 /nfs/dbraw/zinc/56/83/23/182568323.db2.gz KDWOSBYMNHDHDI-NSHDSACASA-N -1 0 249.266 1.892 50 0 BDAARM O=C([O-])c1ccncc1I ZINC000000331829 182585642 /nfs/dbraw/zinc/58/56/42/182585642.db2.gz MJSNRTLYWDXHAQ-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM O=C([O-])c1cn(CCCc2ccccc2)nn1 ZINC000050213409 182587056 /nfs/dbraw/zinc/58/70/56/182587056.db2.gz MIEIJOAZGGNKCC-UHFFFAOYSA-N -1 0 231.255 1.609 50 0 BDAARM O=C([O-])c1cnnn1-c1ccccc1Cl ZINC000020272225 182592634 /nfs/dbraw/zinc/59/26/34/182592634.db2.gz IUOGIYMKNMIJDD-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM O=C([O-])c1nc2ccccc2nc1Cl ZINC000019087621 182595502 /nfs/dbraw/zinc/59/55/02/182595502.db2.gz LLFXNFDLKGPZML-UHFFFAOYSA-N -1 0 208.604 1.981 50 0 BDAARM O=C([O-])c1sncc1Br ZINC000062721071 182600198 /nfs/dbraw/zinc/60/01/98/182600198.db2.gz XIAKLOIPEFTZAT-UHFFFAOYSA-N -1 0 208.036 1.604 50 0 BDAARM CCOC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000005650668 170279964 /nfs/dbraw/zinc/27/99/64/170279964.db2.gz XGRJGTBLDJAHTL-SFYZADRCSA-N -1 0 200.234 1.441 50 0 BDAARM O=CNc1ccccc1C(=O)CCC(=O)[O-] ZINC000082289160 182854239 /nfs/dbraw/zinc/85/42/39/182854239.db2.gz WREZIFMYXDIZJT-UHFFFAOYSA-N -1 0 221.212 1.302 50 0 BDAARM CCCS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000035295889 169334915 /nfs/dbraw/zinc/33/49/15/169334915.db2.gz LXQVTUDLBIWZKD-UHFFFAOYSA-N -1 0 242.296 1.497 50 0 BDAARM CCC[C@@H](C)C(=O)N[C@H](C)CC(=O)[O-] ZINC000037457916 169352150 /nfs/dbraw/zinc/35/21/50/169352150.db2.gz SPNJJVNKEQUYTK-HTQZYQBOSA-N -1 0 201.266 1.402 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000044831621 166666118 /nfs/dbraw/zinc/66/61/18/166666118.db2.gz UCCLBCNDXKDPDT-YFKPBYRVSA-N -1 0 239.218 1.620 50 0 BDAARM Cc1nnsc1-c1nc(C(=O)[O-])cs1 ZINC000000109188 383827732 /nfs/dbraw/zinc/82/77/32/383827732.db2.gz VFTXQZBEOOZCPZ-UHFFFAOYSA-N -1 0 227.270 1.668 50 0 BDAARM CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000000278460 383851410 /nfs/dbraw/zinc/85/14/10/383851410.db2.gz AKOVXMLBDXLGSK-JTQLQIEISA-N -1 0 225.219 1.478 50 0 BDAARM C[C@H](CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000087633057 383856869 /nfs/dbraw/zinc/85/68/69/383856869.db2.gz NMXJIDPAYKUADJ-SSDOTTSWSA-N -1 0 217.265 1.622 50 0 BDAARM O=C([O-])Cc1ccc(C(F)(F)F)cn1 ZINC000035569944 383859359 /nfs/dbraw/zinc/85/93/59/383859359.db2.gz SWGQZRJBHQWQTL-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM CCn1cc(Br)c(C(=O)[O-])n1 ZINC000000392142 383861176 /nfs/dbraw/zinc/86/11/76/383861176.db2.gz NEGPTEWNTIRADT-UHFFFAOYSA-N -1 0 219.038 1.364 50 0 BDAARM O=C([O-])CCC(=O)Nc1cccc(O)c1 ZINC000000549315 383875478 /nfs/dbraw/zinc/87/54/78/383875478.db2.gz TYCMBBJHYNTEAJ-UHFFFAOYSA-N -1 0 209.201 1.196 50 0 biogenic BDAARM O=C([O-])CCn1c(=O)oc2ccccc21 ZINC000000121380 383831153 /nfs/dbraw/zinc/83/11/53/383831153.db2.gz BMLRDVCKJXMASM-UHFFFAOYSA-N -1 0 207.185 1.069 50 0 biogenic,in-vitro BDAARM CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000001670519 383919726 /nfs/dbraw/zinc/91/97/26/383919726.db2.gz ANQDHBLMWSDQBV-UHFFFAOYSA-N -1 0 209.201 1.108 50 0 BDAARM CS(=O)(=O)c1csc(C(=O)[O-])c1Cl ZINC000001037594 383885915 /nfs/dbraw/zinc/88/59/15/383885915.db2.gz JHEWQNWRWAMWIV-UHFFFAOYSA-N -1 0 240.689 1.503 50 0 BDAARM O=C([O-])CC(=O)Nc1cccc(Cl)c1 ZINC000001396851 383896356 /nfs/dbraw/zinc/89/63/56/383896356.db2.gz PKCHECGTYGHUTO-UHFFFAOYSA-N -1 0 213.620 1.753 50 0 BDAARM CCN(CCCS(=O)(=O)[O-])c1ccccc1 ZINC000002574376 383978882 /nfs/dbraw/zinc/97/88/82/383978882.db2.gz HXITYOAFXWBMLL-UHFFFAOYSA-N -1 0 243.328 1.791 50 0 BDAARM CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583262 383981358 /nfs/dbraw/zinc/98/13/58/383981358.db2.gz KNBDVSSESAKBJM-ZETCQYMHSA-N -1 0 233.264 1.001 50 0 BDAARM CCO[C@@H](C)c1nc(CC(=O)[O-])cs1 ZINC000068575283 383999423 /nfs/dbraw/zinc/99/94/23/383999423.db2.gz QAENIAYDUDFSDW-LURJTMIESA-N -1 0 215.274 1.868 50 0 BDAARM CCO[C@H](C)c1nc(C(=O)[O-])cs1 ZINC000068577087 384000151 /nfs/dbraw/zinc/00/01/51/384000151.db2.gz NBBIVCFGEMSRSY-RXMQYKEDSA-N -1 0 201.247 1.939 50 0 BDAARM Cc1ccn([C@H](C)c2n[n-]c(=S)o2)n1 ZINC000002537802 383974357 /nfs/dbraw/zinc/97/43/57/383974357.db2.gz RQBQRWNNGGFVAG-ZCFIWIBFSA-N -1 0 210.262 1.473 50 0 BDAARM O=C([O-])Cc1ccccc1OC(F)F ZINC000002560138 383975601 /nfs/dbraw/zinc/97/56/01/383975601.db2.gz HQSIEUGDICOLBI-UHFFFAOYSA-N -1 0 202.156 1.915 50 0 BDAARM CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)[O-] ZINC000003258181 384003757 /nfs/dbraw/zinc/00/37/57/384003757.db2.gz ZMUWHSNIDREDKT-SNVBAGLBSA-N -1 0 239.246 1.665 50 0 BDAARM CC[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000004201349 384044933 /nfs/dbraw/zinc/04/49/33/384044933.db2.gz OACIMSFRSUBGQU-SECBINFHSA-N -1 0 207.229 1.280 50 0 BDAARM CCC[C@@H]1Cc2[nH]c(=O)c(C(=O)[O-])cc2CO1 ZINC000003984429 384036406 /nfs/dbraw/zinc/03/64/06/384036406.db2.gz IFBJDBRHWOQOBL-MRVPVSSYSA-N -1 0 237.255 1.727 50 0 biogenic BDAARM C[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000005346478 384111197 /nfs/dbraw/zinc/11/11/97/384111197.db2.gz NPBMFLBWLQUVAV-LURJTMIESA-N -1 0 242.662 1.935 50 0 BDAARM COc1c(O)cc(Br)cc1C(=O)[O-] ZINC000091297057 384115605 /nfs/dbraw/zinc/11/56/05/384115605.db2.gz CKEGROMDRNERTI-UHFFFAOYSA-N -1 0 247.044 1.862 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000006725488 384165666 /nfs/dbraw/zinc/16/56/66/384165666.db2.gz XHCKXCXPITWYAM-UHFFFAOYSA-N -1 0 233.267 1.979 50 0 BDAARM O=C([O-])Cc1nnc(-c2cccs2)o1 ZINC000006883992 384171185 /nfs/dbraw/zinc/17/11/85/384171185.db2.gz CINSODZVLNFTNL-UHFFFAOYSA-N -1 0 210.214 1.425 50 0 BDAARM Nc1cc(Br)cc(F)c1C(=O)[O-] ZINC000117854992 384183446 /nfs/dbraw/zinc/18/34/46/384183446.db2.gz VWMWKITYXSGIIM-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM O=C([O-])c1cnn2cc(Br)ccc12 ZINC000072266005 384204163 /nfs/dbraw/zinc/20/41/63/384204163.db2.gz FMBOJXDAZYNIQN-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM CS(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000042417429 384216823 /nfs/dbraw/zinc/21/68/23/384216823.db2.gz JJPZWTSCHWHTEH-UHFFFAOYSA-N -1 0 249.675 1.410 50 0 BDAARM O=C([O-])/C=C/c1cccc(Br)n1 ZINC000044201262 384321233 /nfs/dbraw/zinc/32/12/33/384321233.db2.gz OWKKFIFFUTURMU-SNAWJCMRSA-N -1 0 228.045 1.942 50 0 BDAARM Cc1ccoc1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000097009343 384280874 /nfs/dbraw/zinc/28/08/74/384280874.db2.gz NFWGEIBAUICEQY-IUCAKERBSA-N -1 0 237.255 1.571 50 0 BDAARM C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[O-] ZINC000094437777 384302219 /nfs/dbraw/zinc/30/22/19/384302219.db2.gz AUTOLBMXDDTRRT-JGVFFNPUSA-N -1 0 214.265 1.296 50 0 endogenous,in-man BDAARM O=C([O-])Cc1cnnn1-c1cccc(Cl)c1 ZINC000011888245 384302339 /nfs/dbraw/zinc/30/23/39/384302339.db2.gz KGRJUZGORBIRED-UHFFFAOYSA-N -1 0 237.646 1.548 50 0 BDAARM CNc1nc(C)nc(-c2ccccc2[O-])n1 ZINC000013126216 384349854 /nfs/dbraw/zinc/34/98/54/384349854.db2.gz JIMCXDPSVCYANB-UHFFFAOYSA-N -1 0 216.244 1.594 50 0 BDAARM C[C@@H](NC(=O)Oc1ccccc1)C(=O)[O-] ZINC000013541855 384366449 /nfs/dbraw/zinc/36/64/49/384366449.db2.gz WVHCMNPROHSIQO-SSDOTTSWSA-N -1 0 209.201 1.248 50 0 BDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccon1 ZINC000032610699 384329688 /nfs/dbraw/zinc/32/96/88/384329688.db2.gz HPPFGQCXYVCLQV-UHFFFAOYSA-N -1 0 243.244 1.080 50 0 BDAARM COC(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000045796186 384409805 /nfs/dbraw/zinc/40/98/05/384409805.db2.gz AEPLPTIERJSGES-UHFFFAOYSA-N -1 0 208.213 1.490 50 0 BDAARM COc1c(Br)ccc(N)c1C(=O)[O-] ZINC000095635058 384385099 /nfs/dbraw/zinc/38/50/99/384385099.db2.gz DZNJZWZQCNFPPK-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM O=C([O-])C(=O)Cc1ccccc1C(F)(F)F ZINC000019255498 384512206 /nfs/dbraw/zinc/51/22/06/384512206.db2.gz YCQJVXACFPOZOD-UHFFFAOYSA-N -1 0 232.157 1.902 50 0 BDAARM Cc1ccc(C)c(-c2cn[n-]c(=NN)n2)c1 ZINC000019090320 384510490 /nfs/dbraw/zinc/51/04/90/384510490.db2.gz QOMVVWMAJWHTNP-UHFFFAOYSA-N -1 0 215.260 1.441 50 0 BDAARM O=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000080050434 384529331 /nfs/dbraw/zinc/52/93/31/384529331.db2.gz CZPRLVUTBZKCJG-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM CC(C)[C@](C)(NC(=O)C1CC=CC1)C(=O)[O-] ZINC000097036320 384562121 /nfs/dbraw/zinc/56/21/21/384562121.db2.gz RUFGPCPDOHROJU-LBPRGKRZSA-N -1 0 225.288 1.568 50 0 BDAARM C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCC(=O)[O-] ZINC000299753762 384583352 /nfs/dbraw/zinc/58/33/52/384583352.db2.gz ZGOJEALZNGTMEG-PELKAZGASA-N -1 0 249.266 1.142 50 0 BDAARM O=C(C=C([O-])c1nccs1)C(F)(F)F ZINC000100063413 384614098 /nfs/dbraw/zinc/61/40/98/384614098.db2.gz RABBUDYHJFHMOA-UHFFFAOYSA-N -1 0 223.175 1.847 50 0 BDAARM COC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100065972 384615123 /nfs/dbraw/zinc/61/51/23/384615123.db2.gz YBLUURCYTWTKCU-UHFFFAOYSA-N -1 0 233.223 1.031 50 0 BDAARM O=C([O-])Cn1cc(-c2ccncc2)cn1 ZINC000021365221 384665801 /nfs/dbraw/zinc/66/58/01/384665801.db2.gz URLYMJBECSSALI-UHFFFAOYSA-N -1 0 203.201 1.030 50 0 BDAARM O=C([O-])C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000021304711 384661093 /nfs/dbraw/zinc/66/10/93/384661093.db2.gz PFMAFXYUHZDKPY-UHFFFAOYSA-N -1 0 223.203 1.629 50 0 BDAARM O=C([O-])c1cnc(C(F)(F)F)cc1O ZINC000083286553 384757282 /nfs/dbraw/zinc/75/72/82/384757282.db2.gz QCVVDMURRBDYJA-UHFFFAOYSA-N -1 0 207.107 1.504 50 0 BDAARM O=C([O-])C1(NC(=O)/C=C/c2cccc(F)c2)CC1 ZINC000095961390 384917163 /nfs/dbraw/zinc/91/71/63/384917163.db2.gz NJAVJCDFKFOTRY-SNAWJCMRSA-N -1 0 249.241 1.572 50 0 BDAARM O=C([O-])c1cc(Br)c(F)cc1O ZINC000085210293 384927111 /nfs/dbraw/zinc/92/71/11/384927111.db2.gz AJOOCGAVXMXLLF-UHFFFAOYSA-N -1 0 235.008 1.992 50 0 BDAARM CC(=O)n1cc(C(=O)c2cc(F)ccc2[O-])cn1 ZINC000058226850 384990250 /nfs/dbraw/zinc/99/02/50/384990250.db2.gz UCOKKCOLJRQBAX-UHFFFAOYSA-N -1 0 248.213 1.619 50 0 BDAARM O=C([O-])Cn1cnc(-c2cccs2)cc1=O ZINC000061966046 385011128 /nfs/dbraw/zinc/01/11/28/385011128.db2.gz NVPXJDBTBVMJAC-UHFFFAOYSA-N -1 0 236.252 1.056 50 0 BDAARM CO[N-]C(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000048346027 385206238 /nfs/dbraw/zinc/20/62/38/385206238.db2.gz RGQOKIXFRGSBRB-QMMMGPOBSA-N -1 0 241.312 1.853 50 0 BDAARM Cc1occc1S([O-])=CC(=O)NCC(C)C ZINC000189651813 385244224 /nfs/dbraw/zinc/24/42/24/385244224.db2.gz QYUCDLVAKZIDQJ-INIZCTEOSA-N -1 0 243.328 1.468 50 0 BDAARM CO[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000168886726 385391813 /nfs/dbraw/zinc/39/18/13/385391813.db2.gz CFWAYVLOKOVQMX-MRVPVSSYSA-N -1 0 237.255 1.036 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000062912941 385620416 /nfs/dbraw/zinc/62/04/16/385620416.db2.gz FFTXYJSSNUKPPE-MFKMUULPSA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])Cn1cncc1-c1ccccc1 ZINC000082655886 385630634 /nfs/dbraw/zinc/63/06/34/385630634.db2.gz PRYVXCDSINTIBL-UHFFFAOYSA-N -1 0 202.213 1.635 50 0 BDAARM O=[P@@]([O-])(O)Cc1nc2ccccc2[nH]1 ZINC000012296525 385855830 /nfs/dbraw/zinc/85/58/30/385855830.db2.gz BELRDOYOECQWFP-UHFFFAOYSA-N -1 0 212.145 1.241 50 0 biogenic BDAARM CC(C)CCS(=O)(=O)c1nc(Cl)n[n-]1 ZINC000216627565 385869920 /nfs/dbraw/zinc/86/99/20/385869920.db2.gz DLYGRZCDVJOLCT-UHFFFAOYSA-N -1 0 237.712 1.278 50 0 BDAARM CCN(CCC(=O)[O-])C(=O)c1cccs1 ZINC000038022904 386113449 /nfs/dbraw/zinc/11/34/49/386113449.db2.gz MURLSDPMXFXJIW-UHFFFAOYSA-N -1 0 227.285 1.685 50 0 BDAARM Cc1ccc2oc(C(=O)N(C)CC(=O)[O-])cc2n1 ZINC000262273830 386495814 /nfs/dbraw/zinc/49/58/14/386495814.db2.gz JAENMCGOVLTGET-UHFFFAOYSA-N -1 0 248.238 1.293 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 ZINC000095989541 386564261 /nfs/dbraw/zinc/56/42/61/386564261.db2.gz CCHXZLYGIXMYLU-NRUUGDAUSA-N -1 0 237.299 1.356 50 0 BDAARM O=C([O-])c1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)o1 ZINC000160131873 386857194 /nfs/dbraw/zinc/85/71/94/386857194.db2.gz POMZMPXIHSPSOR-RKDXNWHRSA-N -1 0 249.266 1.850 50 0 BDAARM O=C([O-])[C@@H]1CN(c2cnccn2)CC12CCC2 ZINC000575608942 387401978 /nfs/dbraw/zinc/40/19/78/387401978.db2.gz QCHMQBQAAFIXMB-VIFPVBQESA-N -1 0 233.271 1.168 50 0 BDAARM Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)[O-] ZINC000012446194 177830570 /nfs/dbraw/zinc/83/05/70/177830570.db2.gz ZPCDIHWOWKYXGV-UHFFFAOYSA-N -1 0 221.134 1.813 50 0 BDAARM CSc1nn(CCCCCF)c(=O)[n-]1 ZINC000252496723 388374349 /nfs/dbraw/zinc/37/43/49/388374349.db2.gz PPXOWBMUBYXWLU-UHFFFAOYSA-N -1 0 219.285 1.433 50 0 BDAARM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c(C)o1 ZINC000000034465 177756188 /nfs/dbraw/zinc/75/61/88/177756188.db2.gz SEFHWPWYVWQJKX-JTQLQIEISA-N -1 0 237.255 1.586 50 0 BDAARM O=C([O-])CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000071763467 388445506 /nfs/dbraw/zinc/44/55/06/388445506.db2.gz HFBGBKLGLNEURJ-ZDUSSCGKSA-N -1 0 249.310 1.405 50 0 BDAARM CCCCCC(=O)N[C@@H](CC)C(=O)[O-] ZINC000002472231 388458215 /nfs/dbraw/zinc/45/82/15/388458215.db2.gz KMYCWXDNJSZPOM-QMMMGPOBSA-N -1 0 201.266 1.546 50 0 BDAARM CCONC(=O)c1cccc(OC)c1O ZINC000070275240 388436480 /nfs/dbraw/zinc/43/64/80/388436480.db2.gz PGKSXZQQAJKVAM-UHFFFAOYSA-N -1 0 211.217 1.082 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@H]1Cc2ccccc21 ZINC000252434220 256860636 /nfs/dbraw/zinc/86/06/36/256860636.db2.gz VGBIQGXZLIOSPU-YUSALJHKSA-N -1 0 245.278 1.163 50 0 BDAARM O=[N+]([O-])c1cc(Br)cc(O)c1[O-] ZINC000143335535 388735551 /nfs/dbraw/zinc/73/55/51/388735551.db2.gz ZBOWHKUCFSOWHK-UHFFFAOYSA-N -1 0 234.005 1.769 50 0 BDAARM Cc1nc2cc(C)ccn2c1CC(=O)[O-] ZINC000019624095 388744582 /nfs/dbraw/zinc/74/45/82/388744582.db2.gz VRXBXKDVJCYSEG-UHFFFAOYSA-N -1 0 204.229 1.578 50 0 BDAARM Cc1cc(C)c(C(=O)N(C)CCCC(=O)[O-])o1 ZINC000225456948 388702018 /nfs/dbraw/zinc/70/20/18/388702018.db2.gz NYSPDBCPRPMQCQ-UHFFFAOYSA-N -1 0 239.271 1.833 50 0 BDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)C(F)=C(C)C ZINC000225479862 388715141 /nfs/dbraw/zinc/71/51/41/388715141.db2.gz MZTPVSBZPHDNSU-MRVPVSSYSA-N -1 0 231.267 1.962 50 0 BDAARM O=C([O-])C[C@H](NC(=O)c1ccco1)C1CC1 ZINC000095424963 388770082 /nfs/dbraw/zinc/77/00/82/388770082.db2.gz XCABZEQJQWELLP-QMMMGPOBSA-N -1 0 223.228 1.263 50 0 BDAARM O=C([O-])CCNC(=O)CCc1ccc(F)cc1 ZINC000037415588 388774069 /nfs/dbraw/zinc/77/40/69/388774069.db2.gz ZSEHITGXOWNNJH-UHFFFAOYSA-N -1 0 239.246 1.349 50 0 BDAARM CCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O ZINC000095531995 388777499 /nfs/dbraw/zinc/77/74/99/388777499.db2.gz SIJZNAOZJCFLOH-UHFFFAOYSA-N -1 0 232.287 1.443 50 0 BDAARM O=C([O-])c1cncc(N2CCCCC2)c1 ZINC000026459546 132333624 /nfs/dbraw/zinc/33/36/24/132333624.db2.gz UWDWYCKLOPCIOM-UHFFFAOYSA-N -1 0 206.245 1.770 50 0 BDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)C=C(C)C ZINC000097018178 171163846 /nfs/dbraw/zinc/16/38/46/171163846.db2.gz JQSPLYCHINZOQR-NSHDSACASA-N -1 0 213.277 1.712 50 0 BDAARM Cc1cc(C)nc(N2CCCC[C@H]2C(=O)[O-])n1 ZINC000012954347 132321622 /nfs/dbraw/zinc/32/16/22/132321622.db2.gz JMMVIQKIKSJKFE-JTQLQIEISA-N -1 0 235.287 1.537 50 0 BDAARM O=C([O-])[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000015443576 132323082 /nfs/dbraw/zinc/32/30/82/132323082.db2.gz GHKQQSFOUOVEQU-ZETCQYMHSA-N -1 0 241.678 1.431 50 0 BDAARM Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)nc1 ZINC000019257535 132324274 /nfs/dbraw/zinc/32/42/74/132324274.db2.gz RVNXUDOVNWFLKL-JTQLQIEISA-N -1 0 220.272 1.691 50 0 BDAARM O=C([O-])c1cnc(N2CCOCC2)c(Cl)c1 ZINC000019844561 132327464 /nfs/dbraw/zinc/32/74/64/132327464.db2.gz XFBOTZZNNGDKAR-UHFFFAOYSA-N -1 0 242.662 1.270 50 0 BDAARM O=C([O-])C1CCN(c2ccccc2)CC1 ZINC000033637388 132336185 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/nfs/dbraw/zinc/33/99/05/175339905.db2.gz SPAPYHBEAUIDCR-UHFFFAOYSA-N -1 0 208.246 1.685 50 0 BDAARM COc1cnc(SC(C)C)[n-]c1=O ZINC000006263091 175382244 /nfs/dbraw/zinc/38/22/44/175382244.db2.gz UJUJABPHEIWJJO-UHFFFAOYSA-N -1 0 200.263 1.279 50 0 BDAARM C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)[O-])C1 ZINC000000214584 176359750 /nfs/dbraw/zinc/35/97/50/176359750.db2.gz ISFAAXAYRTWLHT-RKDXNWHRSA-N -1 0 213.277 1.356 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000050194904 176386321 /nfs/dbraw/zinc/38/63/21/176386321.db2.gz WUQFUPFWBVBGMC-SFYZADRCSA-N -1 0 213.277 1.402 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000230914214 176387149 /nfs/dbraw/zinc/38/71/49/176387149.db2.gz XHPYETVGMMJXTR-HXFLIBJXSA-N -1 0 211.261 1.012 50 0 BDAARM C[C@H](C(=O)[O-])n1nc(-c2ccccc2)ccc1=O ZINC000011567934 176587591 /nfs/dbraw/zinc/58/75/91/176587591.db2.gz LUBMKFPOYCNRQV-SECBINFHSA-N -1 0 244.250 1.556 50 0 BDAARM C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)[O-] ZINC000038874706 176794886 /nfs/dbraw/zinc/79/48/86/176794886.db2.gz WMFFVAZKIWXNQV-LURJTMIESA-N -1 0 243.209 1.097 50 0 in-vitro BDAARM C[C@H](c1ccccc1)n1c([O-])cc(=O)[nH]c1=O ZINC000106119994 177038448 /nfs/dbraw/zinc/03/84/48/177038448.db2.gz KCWHBIDDXMOGPH-MRVPVSSYSA-N -1 0 232.239 1.216 50 0 BDAARM C[C@@H](NC(=O)CO[C@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000237596896 177138023 /nfs/dbraw/zinc/13/80/23/177138023.db2.gz VQEPAFVKPQSPLT-AEJSXWLSSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H]1C[C@H](OS(=O)(=O)[O-])C[C@@H](C)C1 ZINC000247651452 177318801 /nfs/dbraw/zinc/31/88/01/177318801.db2.gz NLZXYVZEEQNJLB-JIGDXULJSA-N -1 0 208.279 1.631 50 0 BDAARM C[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1 ZINC000000377243 177355363 /nfs/dbraw/zinc/35/53/63/177355363.db2.gz RGGRSXDCXFADGM-UJURSFKZSA-N -1 0 249.192 1.889 50 0 BDAARM C[C@H]1C[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716412 177377167 /nfs/dbraw/zinc/37/71/67/177377167.db2.gz YRFMVAXFNKFRJS-GZMMTYOYSA-N -1 0 233.267 1.657 50 0 BDAARM C[C@H]1c2ccccc2O[C@H]1C(=O)NCCC(=O)[O-] ZINC000299753764 177438841 /nfs/dbraw/zinc/43/88/41/177438841.db2.gz ZGOJEALZNGTMEG-QPUJVOFHSA-N -1 0 249.266 1.142 50 0 BDAARM Cc1c(C(=O)[O-])sc2ncn(C)c(=O)c12 ZINC000000109397 177574203 /nfs/dbraw/zinc/57/42/03/177574203.db2.gz UXEKRAQXZUUDCB-UHFFFAOYSA-N -1 0 224.241 1.002 50 0 in-vitro BDAARM C[C@H]1C[C@H]1C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643867 487926160 /nfs/dbraw/zinc/92/61/60/487926160.db2.gz LFBPYQQWKUKPCS-JGVFFNPUSA-N -1 0 227.304 1.648 50 0 BDAARM CC(C)C[C@H](NC(=O)CCCCl)C(=O)[O-] ZINC000003913553 487943634 /nfs/dbraw/zinc/94/36/34/487943634.db2.gz KWWZJYCJXZFCRX-QMMMGPOBSA-N -1 0 235.711 1.621 50 0 BDAARM O=C([O-])c1ccc(-c2cccc3c2OCC3)nn1 ZINC000534581162 323153863 /nfs/dbraw/zinc/15/38/63/323153863.db2.gz FBPDQVINQKUQJC-UHFFFAOYSA-N -1 0 242.234 1.777 50 0 BDAARM O=C([O-])c1cncc(-c2ccc3c(c2)OCO3)n1 ZINC000257590309 323172417 /nfs/dbraw/zinc/17/24/17/323172417.db2.gz FCHIMQJNFIARRU-UHFFFAOYSA-N -1 0 244.206 1.571 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC000085006423 488120672 /nfs/dbraw/zinc/12/06/72/488120672.db2.gz QPYODLXMFBKTMB-NXEZZACHSA-N -1 0 223.272 1.322 50 0 BDAARM Cc1nsc(N(C)C[C@H](C)C(=O)[O-])n1 ZINC000083647476 491162394 /nfs/dbraw/zinc/16/23/94/491162394.db2.gz YKESLBVDMHXDOC-YFKPBYRVSA-N -1 0 215.278 1.003 50 0 BDAARM CC1(C)CNc2cc(S(=O)(=O)[O-])ccc21 ZINC000118359959 520501000 /nfs/dbraw/zinc/50/10/00/520501000.db2.gz KFEPPZBGGHMGSD-UHFFFAOYSA-N -1 0 227.285 1.636 50 0 BDAARM CC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C ZINC000242273547 523891115 /nfs/dbraw/zinc/89/11/15/523891115.db2.gz YDPNFDRRXWZORH-YIZRAAEISA-N -1 0 233.333 1.135 50 0 BDAARM C[C@@H](CNC(=O)C1C(C)(C)C1(C)C)CC(=O)[O-] ZINC000158523014 524643166 /nfs/dbraw/zinc/64/31/66/524643166.db2.gz INIBXIZHVLVZIU-MRVPVSSYSA-N -1 0 241.331 1.896 50 0 BDAARM CCOc1nc(N[C@@H](C)C(=O)[O-])ncc1Cl ZINC000864096828 589344831 /nfs/dbraw/zinc/34/48/31/589344831.db2.gz JOBVYKQASONUJZ-YFKPBYRVSA-N -1 0 245.666 1.414 50 0 BDAARM O=C([O-])[C@@H](O)Cc1cc(Cl)cc(Cl)c1 ZINC000076164169 631289169 /nfs/dbraw/zinc/28/91/69/631289169.db2.gz WAPRDUNGVFMJAK-QMMMGPOBSA-N -1 0 235.066 1.981 50 0 BDAARM Cc1cc2nc(-c3ccco3)cc(C(=O)[O-])n2n1 ZINC000020605018 633815500 /nfs/dbraw/zinc/81/55/00/633815500.db2.gz CJPRQGVUSJQYEO-UHFFFAOYSA-N -1 0 243.222 1.996 50 0 BDAARM COC(=O)CCc1ccc(/C=C\C(=O)[O-])o1 ZINC000045016314 640485816 /nfs/dbraw/zinc/48/58/16/640485816.db2.gz NUIRXLALQFEKIS-XQRVVYSFSA-N -1 0 224.212 1.483 50 0 BDAARM CCC[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)[O-] ZINC000022339171 641205107 /nfs/dbraw/zinc/20/51/07/641205107.db2.gz UZFMJACXIWAIOR-UWVGGRQHSA-N -1 0 242.319 1.872 50 0 BDAARM COC(=O)C1=C([O-])c2c(C)n[nH]c2CC1(C)C ZINC000019339466 643041352 /nfs/dbraw/zinc/04/13/52/643041352.db2.gz LPUVPADPTBIFJS-VIFPVBQESA-N -1 0 236.271 1.272 50 0 BDAARM CCc1nc(=N[C@@H](CC)C(OC)OC)s[n-]1 ZINC000585092272 972131710 /nfs/dbraw/zinc/13/17/10/972131710.db2.gz MNLBQYUBCIDCTF-ZETCQYMHSA-N -1 0 245.348 1.332 50 0 BDAARM C[C@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)[C@H]1C ZINC000585119433 972153060 /nfs/dbraw/zinc/15/30/60/972153060.db2.gz HPZJTGKGTMNNCU-IUCAKERBSA-N -1 0 246.314 1.648 50 0 BDAARM C[C@@H](NC(=O)NCCC(=O)[O-])C1=CCCCC1 ZINC000827989620 968737137 /nfs/dbraw/zinc/73/71/37/968737137.db2.gz DYDHZJNYUGOMCL-SECBINFHSA-N -1 0 240.303 1.649 50 0 BDAARM CCC(CC)(CNC(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000137630350 168325697 /nfs/dbraw/zinc/32/56/97/168325697.db2.gz CPZYACODHRBATC-SECBINFHSA-N -1 0 243.303 1.030 50 0 BDAARM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)[O-])CC2 ZINC000071482020 398154047 /nfs/dbraw/zinc/15/40/47/398154047.db2.gz MJAHJHYFXIFVHK-ZETCQYMHSA-N -1 0 208.261 1.723 50 0 BDAARM Cc1ccc2c(c1)[C@@H](C(=O)[O-])C[C@H](O)N2 ZINC000074934382 398210135 /nfs/dbraw/zinc/21/01/35/398210135.db2.gz VJGAWZSNPBFKST-WPRPVWTQSA-N -1 0 207.229 1.297 50 0 BDAARM Cc1cc(=O)n(-c2ccc(Cl)nn2)[n-]1 ZINC000100116095 178200552 /nfs/dbraw/zinc/20/05/52/178200552.db2.gz SZUZPJSZDBWCRJ-UHFFFAOYSA-N -1 0 210.624 1.330 50 0 BDAARM Cc1cc(=O)n2nc(C3CCC3)[n-]c2n1 ZINC000238857183 178201481 /nfs/dbraw/zinc/20/14/81/178201481.db2.gz YGPILGDKTFFJMR-UHFFFAOYSA-N -1 0 204.233 1.406 50 0 BDAARM COc1ccc(C[C@H](OC)C(=O)[O-])cc1 ZINC000014455517 259305942 /nfs/dbraw/zinc/30/59/42/259305942.db2.gz OGJKUGGZOYNPSS-JTQLQIEISA-N -1 0 210.229 1.337 50 0 endogenous,in-man BDAARM Cc1cc2c(cc1/C=C/C(=O)[O-])n(C)c(=O)n2C ZINC000030769284 178284470 /nfs/dbraw/zinc/28/44/70/178284470.db2.gz JYDFBAVURMHRSC-SNAWJCMRSA-N -1 0 246.266 1.283 50 0 BDAARM Cc1ccc(-c2nc(SCC(=O)[O-])n[nH]2)cc1 ZINC000000873891 178335955 /nfs/dbraw/zinc/33/59/55/178335955.db2.gz VIDPPAQOCSVKGA-UHFFFAOYSA-N -1 0 249.295 1.957 50 0 BDAARM Cc1ccc(-c2nc(N)ncc2C(=O)[O-])cc1 ZINC000097757477 178336395 /nfs/dbraw/zinc/33/63/95/178336395.db2.gz TWAVDAAITKFCEN-UHFFFAOYSA-N -1 0 229.239 1.732 50 0 BDAARM Cc1ccc(-c2noc(CC(=O)[O-])n2)cc1 ZINC000020269088 178342161 /nfs/dbraw/zinc/34/21/61/178342161.db2.gz DTJLKFLJJUQICD-UHFFFAOYSA-N -1 0 218.212 1.672 50 0 BDAARM Cc1ccc(-c2nnnn2CCC(=O)[O-])cc1 ZINC000013998387 178342325 /nfs/dbraw/zinc/34/23/25/178342325.db2.gz FBSJCALFFZDCAU-UHFFFAOYSA-N -1 0 232.243 1.123 50 0 BDAARM O=[S@@]([O-])c1ccc(Cl)c2nonc21 ZINC000204294652 538953522 /nfs/dbraw/zinc/95/35/22/538953522.db2.gz ZWMLCFHESMPQGY-UHFFFAOYSA-N -1 0 218.621 1.457 50 0 BDAARM COc1cc(C(=O)[O-])nn1-c1ccccc1F ZINC000045929920 346849581 /nfs/dbraw/zinc/84/95/81/346849581.db2.gz APAWIBFJIYLTND-UHFFFAOYSA-N -1 0 236.202 1.718 50 0 BDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)[O-] ZINC000000091118 342674214 /nfs/dbraw/zinc/67/42/14/342674214.db2.gz YFGDSAVPKKKVDY-UHFFFAOYSA-N -1 0 248.234 1.824 50 0 biogenic BDAARM C[C@@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000118567 342675394 /nfs/dbraw/zinc/67/53/94/342675394.db2.gz JIJXMDPRAQNGNG-SSDOTTSWSA-N -1 0 217.228 1.515 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000000151451 342677462 /nfs/dbraw/zinc/67/74/62/342677462.db2.gz VYKQDWPBYULGPF-SNVBAGLBSA-N -1 0 219.240 1.120 50 0 BDAARM O=C([O-])c1ccc(-c2ccccc2)[nH]c1=O ZINC000000155540 342677744 /nfs/dbraw/zinc/67/77/44/342677744.db2.gz MHFTTYLYTCCJGW-UHFFFAOYSA-N -1 0 215.208 1.740 50 0 BDAARM CO[C@@H](Cc1nc2ccccc2s1)C(=O)[O-] ZINC000000167355 342678626 /nfs/dbraw/zinc/67/86/26/342678626.db2.gz YMRYELDXMWHXIK-QMMMGPOBSA-N -1 0 237.280 1.938 50 0 BDAARM Cc1cc(C)nc(NC(=O)CCCC(=O)[O-])c1 ZINC000000214516 342680224 /nfs/dbraw/zinc/68/02/24/342680224.db2.gz IIRKQCNRPPCLSG-UHFFFAOYSA-N -1 0 236.271 1.892 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)N1Cc1ccsc1 ZINC000000395916 342686326 /nfs/dbraw/zinc/68/63/26/342686326.db2.gz RBMSPRRZUJPNBS-MRVPVSSYSA-N -1 0 225.269 1.324 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NC1CCCC1 ZINC000000475058 342688236 /nfs/dbraw/zinc/68/82/36/342688236.db2.gz GFFQGBWDOUPKBF-QWRGUYRKSA-N -1 0 237.299 1.712 50 0 BDAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)[O-] ZINC000000057614 342672131 /nfs/dbraw/zinc/67/21/31/342672131.db2.gz OOGKDHCQSZAEQI-UHFFFAOYSA-N -1 0 234.207 1.434 50 0 biogenic BDAARM CC[C@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000064836 342672440 /nfs/dbraw/zinc/67/24/40/342672440.db2.gz WVKHAFMZAMKNJB-VIFPVBQESA-N -1 0 231.255 1.905 50 0 biogenic BDAARM CN(CC(=O)[O-])Cc1nc2ccccc2[nH]1 ZINC000000873811 342694110 /nfs/dbraw/zinc/69/41/10/342694110.db2.gz QEPUPEZXFURBLY-UHFFFAOYSA-N -1 0 219.244 1.079 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NC1CC1 ZINC000001456920 342701503 /nfs/dbraw/zinc/70/15/03/342701503.db2.gz NESTZIIAJPVBHN-RKDXNWHRSA-N -1 0 211.261 1.156 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000004105014 342742635 /nfs/dbraw/zinc/74/26/35/342742635.db2.gz QTWGHTBKFVANGX-RQJHMYQMSA-N -1 0 241.193 1.624 50 0 in-vivo BDAARM [O-]C1=C[C@](O)(C(F)(F)F)Oc2ccccc21 ZINC000004141863 342743063 /nfs/dbraw/zinc/74/30/63/342743063.db2.gz JXFPVSFDZGQZRR-SECBINFHSA-N -1 0 232.157 1.903 50 0 BDAARM Cc1ccnn1-c1ccc(C(=O)[O-])cc1 ZINC000004207223 342744302 /nfs/dbraw/zinc/74/43/02/342744302.db2.gz MJTSOUSVHDKPCQ-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cccc(C)c1 ZINC000004235149 342744883 /nfs/dbraw/zinc/74/48/83/342744883.db2.gz KUIOWASZZVAXFA-DGCLKSJQSA-N -1 0 247.294 1.989 50 0 BDAARM O=C([O-])c1cc2c([nH]c1=O)CCCCC2 ZINC000004384458 342747507 /nfs/dbraw/zinc/74/75/07/342747507.db2.gz LJABIYWOOVOKRK-UHFFFAOYSA-N -1 0 207.229 1.342 50 0 BDAARM O=C([O-])c1ccccc1Cn1cccn1 ZINC000004384462 342747529 /nfs/dbraw/zinc/74/75/29/342747529.db2.gz QEJSUDVSIYAPKL-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM COc1cc(C(=O)[O-])ccc1OC(F)F ZINC000002522278 342722295 /nfs/dbraw/zinc/72/22/95/342722295.db2.gz QEZBOPWZULAPBJ-UHFFFAOYSA-N -1 0 218.155 1.995 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002562486 342724351 /nfs/dbraw/zinc/72/43/51/342724351.db2.gz PYNDHEONPQYIAN-ZCFIWIBFSA-N -1 0 203.238 1.374 50 0 BDAARM CCN(CC(=O)[O-])C(=O)OC(C)(C)C ZINC000002567661 342724770 /nfs/dbraw/zinc/72/47/70/342724770.db2.gz SPBIXXXFDSLALC-UHFFFAOYSA-N -1 0 203.238 1.328 50 0 BDAARM O=C1NC(=O)[C@]2(CCCc3sccc32)N1 ZINC000002635392 342726181 /nfs/dbraw/zinc/72/61/81/342726181.db2.gz CWFRYKWJIHQOFY-SNVBAGLBSA-N -1 0 222.269 1.119 50 0 BDAARM O=C([O-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000003286654 342732176 /nfs/dbraw/zinc/73/21/76/342732176.db2.gz NWLNPDFDAPBKDB-NSHDSACASA-N -1 0 222.240 1.943 50 0 BDAARM Cc1ccc([C@H]2CC(C(=O)[O-])=NC(=O)N2)cc1 ZINC000003883241 342738881 /nfs/dbraw/zinc/73/88/81/342738881.db2.gz KQYYDIRBSOVKSK-SECBINFHSA-N -1 0 232.239 1.317 50 0 BDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCCCC1 ZINC000004952094 342755002 /nfs/dbraw/zinc/75/50/02/342755002.db2.gz IXKXWOPQJSDTFX-RHYQMDGZSA-N -1 0 249.310 1.522 50 0 BDAARM C[C@@]1(C(=O)[O-])CC(c2ccccc2)=NO1 ZINC000004992555 342756029 /nfs/dbraw/zinc/75/60/29/342756029.db2.gz HHSXXVCKNAZBGR-NSHDSACASA-N -1 0 205.213 1.654 50 0 BDAARM CC(C)(C)NS(=O)(=O)c1ccc(Cl)nc1 ZINC000005120550 342758405 /nfs/dbraw/zinc/75/84/05/342758405.db2.gz IMOXXBWDLRALIO-UHFFFAOYSA-N -1 0 248.735 1.812 50 0 BDAARM Cn1nc(-c2ccccc2)cc1C(=O)[O-] ZINC000005177726 342759668 /nfs/dbraw/zinc/75/96/68/342759668.db2.gz RTBQZMPYPFQBHA-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM Nc1cc2ccc(S(=O)(=O)[O-])cc2cc1O ZINC000005785310 342770036 /nfs/dbraw/zinc/77/00/36/342770036.db2.gz MVGYYGCFVPMJAQ-UHFFFAOYSA-N -1 0 239.252 1.374 50 0 BDAARM O=S(=O)([O-])c1cncc(Br)c1 ZINC000006234966 342775290 /nfs/dbraw/zinc/77/52/90/342775290.db2.gz SMLXJWRGAHUNNM-UHFFFAOYSA-N -1 0 238.062 1.091 50 0 BDAARM O=C([O-])c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000004750400 342751519 /nfs/dbraw/zinc/75/15/19/342751519.db2.gz FOHSSDUZVMIPFS-SNVBAGLBSA-N -1 0 235.239 1.502 50 0 BDAARM COC(=O)Nc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000006740894 342781937 /nfs/dbraw/zinc/78/19/37/342781937.db2.gz GIGRDSFULBVHHT-UHFFFAOYSA-N -1 0 235.199 1.439 50 0 BDAARM Cc1occc1-c1nnc(SCC(=O)[O-])o1 ZINC000006747323 342781944 /nfs/dbraw/zinc/78/19/44/342781944.db2.gz CEYAFQMDXVBCHZ-UHFFFAOYSA-N -1 0 240.240 1.815 50 0 BDAARM Cc1ccc(CNc2nc(=O)c(C)n[n-]2)cc1 ZINC000008927663 342806013 /nfs/dbraw/zinc/80/60/13/342806013.db2.gz NPVNGPDFDGOMFV-UHFFFAOYSA-N -1 0 230.271 1.394 50 0 BDAARM O=C([O-])c1ccc(-n2cncn2)cc1Cl ZINC000012336470 342849289 /nfs/dbraw/zinc/84/92/89/342849289.db2.gz JFHJCXYONKJMDP-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM CCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000012359764 342849967 /nfs/dbraw/zinc/84/99/67/342849967.db2.gz ZUEUZEBBRRWMHB-UHFFFAOYSA-N -1 0 218.212 1.997 50 0 BDAARM CC(C)(C)NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000012381464 342850707 /nfs/dbraw/zinc/85/07/07/342850707.db2.gz AJZBOZHQVXINRS-SSDOTTSWSA-N -1 0 214.265 1.044 50 0 BDAARM O=C([O-])c1cc(C(F)(F)F)nn1CC(F)F ZINC000012395174 342851099 /nfs/dbraw/zinc/85/10/99/342851099.db2.gz GKWRSEBOHQHGNA-UHFFFAOYSA-N -1 0 244.119 1.865 50 0 BDAARM CCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000012954396 342861837 /nfs/dbraw/zinc/86/18/37/342861837.db2.gz KCQFZEBHMLIOAC-SECBINFHSA-N -1 0 249.332 1.055 50 0 BDAARM C/C=C(\C)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000308772071 342870341 /nfs/dbraw/zinc/87/03/41/342870341.db2.gz ZDZTUCVBXIMEBN-QZGLAHODSA-N -1 0 211.261 1.418 50 0 BDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000013727322 342871004 /nfs/dbraw/zinc/87/10/04/342871004.db2.gz OWKGDEDCXQCCSO-GXSJLCMTSA-N -1 0 219.240 1.291 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000013737163 342871152 /nfs/dbraw/zinc/87/11/52/342871152.db2.gz QUPIUYNKDWUNKQ-GUBZILKMSA-N -1 0 243.303 1.123 50 0 BDAARM O=C([O-])c1nn(CC(F)(F)F)cc1Cl ZINC000013747843 342871221 /nfs/dbraw/zinc/87/12/21/342871221.db2.gz XNUPYEQBUFJBPP-UHFFFAOYSA-N -1 0 228.557 1.797 50 0 BDAARM COc1c(O)cc2oc(=O)ccc2c1OC ZINC000014776047 342886837 /nfs/dbraw/zinc/88/68/37/342886837.db2.gz DVBPETFXQYSHLJ-UHFFFAOYSA-N -1 0 222.196 1.516 50 0 biogenic,in-vitro BDAARM C[C@@H](NC(=O)CO[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000237392117 398333890 /nfs/dbraw/zinc/33/38/90/398333890.db2.gz ZEFLAYZRCCYHTE-OPRDCNLKSA-N -1 0 243.303 1.171 50 0 BDAARM O=C([O-])[C@H](c1ccccc1)n1cccn1 ZINC000019408442 342947880 /nfs/dbraw/zinc/94/78/80/342947880.db2.gz AMAPMVWSJNXHCG-JTQLQIEISA-N -1 0 202.213 1.557 50 0 BDAARM O=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000020213288 342977542 /nfs/dbraw/zinc/97/75/42/342977542.db2.gz ZTGRIBGFGIRUEH-UHFFFAOYSA-N -1 0 240.646 1.568 50 0 BDAARM C[C@H](Nc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000020284928 342980828 /nfs/dbraw/zinc/98/08/28/342980828.db2.gz URBPETXETAGOGC-YFKPBYRVSA-N -1 0 234.177 1.985 50 0 BDAARM O=C([O-])c1csc(NC(=O)c2ccncc2)n1 ZINC000020332462 342982364 /nfs/dbraw/zinc/98/23/64/342982364.db2.gz WMHYUQRJCIOYCL-UHFFFAOYSA-N -1 0 249.251 1.489 50 0 BDAARM COC(=O)C=C([O-])c1sc(C)nc1C ZINC000020446721 342985735 /nfs/dbraw/zinc/98/57/35/342985735.db2.gz OQYCOBWQDNFXBM-UHFFFAOYSA-N -1 0 213.258 1.506 50 0 BDAARM Cc1cc(=O)n(-c2cccc(C(=O)[O-])c2)[nH]1 ZINC000005697443 346917585 /nfs/dbraw/zinc/91/75/85/346917585.db2.gz LTVXKUPVECLNQE-UHFFFAOYSA-N -1 0 218.212 1.172 50 0 BDAARM O=C([O-])[C@@H]1CCCN(c2nccs2)C1 ZINC000022168035 343042569 /nfs/dbraw/zinc/04/25/69/343042569.db2.gz HBUSXPMRNOKFBL-SSDOTTSWSA-N -1 0 212.274 1.444 50 0 BDAARM COc1c(F)cc(C(=O)[O-])c(F)c1F ZINC000021982525 343031632 /nfs/dbraw/zinc/03/16/32/343031632.db2.gz SGQBBRRGMRJQPE-UHFFFAOYSA-N -1 0 206.119 1.811 50 0 BDAARM C/C=C(\C)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000222162305 187228293 /nfs/dbraw/zinc/22/82/93/187228293.db2.gz LKJKPFIHMWDOOG-HMVTZJNGSA-N -1 0 211.261 1.322 50 0 BDAARM Cn1cc(C(=O)[O-])c(=O)c2cccc(F)c21 ZINC000026507967 343105944 /nfs/dbraw/zinc/10/59/44/343105944.db2.gz QEMQKQOTFGVUFG-UHFFFAOYSA-N -1 0 221.187 1.376 50 0 BDAARM CC[C@H](Oc1ccccc1C(N)=O)C(=O)[O-] ZINC000027745873 343123789 /nfs/dbraw/zinc/12/37/89/343123789.db2.gz DQCNYWMEUJIMEG-QMMMGPOBSA-N -1 0 223.228 1.028 50 0 BDAARM CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000000189730 187244350 /nfs/dbraw/zinc/24/43/50/187244350.db2.gz HTWAFOFDKZAKQP-SNVBAGLBSA-N -1 0 207.229 1.339 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1cccc(F)c1 ZINC000000072326 187244433 /nfs/dbraw/zinc/24/44/33/187244433.db2.gz FJNNPZCSFCJFME-SNAWJCMRSA-N -1 0 209.176 1.405 50 0 BDAARM CC(C)Cn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003324549 187246423 /nfs/dbraw/zinc/24/64/23/187246423.db2.gz YVGKYKHSFHRXNV-UHFFFAOYSA-N -1 0 246.266 1.751 50 0 BDAARM CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)[O-] ZINC000004992602 187247928 /nfs/dbraw/zinc/24/79/28/187247928.db2.gz BPZXHDJOSDIPCL-UHFFFAOYSA-N -1 0 241.268 1.916 50 0 BDAARM CCc1ccc2nc3[n-]c(NN)nnc-3c2c1 ZINC000006519763 187248908 /nfs/dbraw/zinc/24/89/08/187248908.db2.gz IDYORWHNMOCXQO-UHFFFAOYSA-N -1 0 228.259 1.354 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032013567 343228262 /nfs/dbraw/zinc/22/82/62/343228262.db2.gz UAAGUSBYBOKQCT-RKDXNWHRSA-N -1 0 220.224 1.646 50 0 BDAARM C[C@@H](C(=O)[O-])N1c2ccccc2CCCC1=O ZINC000032919056 343244424 /nfs/dbraw/zinc/24/44/24/343244424.db2.gz NXTIVKFWBOWRDP-VIFPVBQESA-N -1 0 233.267 1.829 50 0 BDAARM Cc1ccc(/C=C/C(=O)NCCCC(=O)[O-])cc1 ZINC000032919855 343244714 /nfs/dbraw/zinc/24/47/14/343244714.db2.gz HKWSNIRAHPNHRJ-CMDGGOBGSA-N -1 0 247.294 1.989 50 0 BDAARM CC(C)OCC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000232681581 136279320 /nfs/dbraw/zinc/27/93/20/136279320.db2.gz MVHMGTCTCDGIDK-ONGXEEELSA-N -1 0 243.303 1.123 50 0 BDAARM COc1ccc(C(=O)C[C@@H](C)C(=O)[O-])cc1 ZINC000035018144 343283350 /nfs/dbraw/zinc/28/33/50/343283350.db2.gz NYKZHPAJYHMOLD-MRVPVSSYSA-N -1 0 222.240 1.989 50 0 BDAARM C=CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019511101 187252763 /nfs/dbraw/zinc/25/27/63/187252763.db2.gz VENMKKYKKJTETN-UHFFFAOYSA-N -1 0 205.213 1.187 50 0 BDAARM C[C@H](CC(=O)[O-])C(=O)c1ccc(N)cc1 ZINC000034590466 343275402 /nfs/dbraw/zinc/27/54/02/343275402.db2.gz LTGZRJJFPDCBAO-SSDOTTSWSA-N -1 0 207.229 1.562 50 0 BDAARM Nc1c(C(=O)[O-])cnn1-c1ccc(F)cc1F ZINC000034605567 343275811 /nfs/dbraw/zinc/27/58/11/343275811.db2.gz BMZMLHXRADPUBF-UHFFFAOYSA-N -1 0 239.181 1.431 50 0 BDAARM O=C([O-])c1n[nH]c2ncc(Br)cc12 ZINC000035569577 343297827 /nfs/dbraw/zinc/29/78/27/343297827.db2.gz JSXAWNXOASHZLY-UHFFFAOYSA-N -1 0 242.032 1.419 50 0 in-vitro BDAARM COc1cc(Br)c(N)c(C(=O)[O-])c1 ZINC000021983646 187253571 /nfs/dbraw/zinc/25/35/71/187253571.db2.gz OUVFCKYBUINQFL-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM COc1cc(C(=O)CCC(=O)[O-])ccc1O ZINC000036108805 343309289 /nfs/dbraw/zinc/30/92/89/343309289.db2.gz MITUCWWQUUFNNX-UHFFFAOYSA-N -1 0 224.212 1.448 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc2c(c1)CCC2 ZINC000037312239 343343001 /nfs/dbraw/zinc/34/30/01/343343001.db2.gz DKXBLKWAKIBPPD-UHFFFAOYSA-N -1 0 243.266 1.763 50 0 BDAARM CC(C)(NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000039135898 187255903 /nfs/dbraw/zinc/25/59/03/187255903.db2.gz YAWHWVXBLLOCBD-UHFFFAOYSA-N -1 0 225.219 1.419 50 0 BDAARM Cc1ccccc1/C=C/C(=O)NCCC(=O)[O-] ZINC000032919854 187256486 /nfs/dbraw/zinc/25/64/86/187256486.db2.gz OUXZKNXMMCWREE-VOTSOKGWSA-N -1 0 233.267 1.599 50 0 BDAARM C[C@@H](CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000039094052 343381823 /nfs/dbraw/zinc/38/18/23/343381823.db2.gz NMXJIDPAYKUADJ-ZETCQYMHSA-N -1 0 217.265 1.622 50 0 BDAARM O=C([O-])c1cccnc1[S@](=O)C(F)(F)F ZINC000039947481 343393804 /nfs/dbraw/zinc/39/38/04/343393804.db2.gz UVOSJCQGLKQQNH-OAHLLOKOSA-N -1 0 239.174 1.407 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000040162938 343397455 /nfs/dbraw/zinc/39/74/55/343397455.db2.gz AIULLCUFHFFGCU-JQWIXIFHSA-N -1 0 246.266 1.218 50 0 BDAARM COC(=O)N=c1[nH]c2c(s1)CC[C@@H]2C(=O)[O-] ZINC000043830606 343485274 /nfs/dbraw/zinc/48/52/74/343485274.db2.gz HZWABAZZCNOEQR-BYPYZUCNSA-N -1 0 242.256 1.436 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccsc2)C1 ZINC000044676303 343511644 /nfs/dbraw/zinc/51/16/44/343511644.db2.gz KHSAVTUDWAUDRS-QMMMGPOBSA-N -1 0 225.269 1.181 50 0 BDAARM O=C([O-])[C@H]1Cc2cc(Br)ccc2O1 ZINC000040541904 187264768 /nfs/dbraw/zinc/26/47/68/187264768.db2.gz MWNCCBAITNRTSN-MRVPVSSYSA-N -1 0 243.056 1.837 50 0 BDAARM CC(=O)Nc1c2cccnc2sc1C(=O)[O-] ZINC000045795930 187269474 /nfs/dbraw/zinc/26/94/74/187269474.db2.gz UCUUOPDTACJQJQ-UHFFFAOYSA-N -1 0 236.252 1.953 50 0 BDAARM CCN1C(=O)CO[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000062702270 343744157 /nfs/dbraw/zinc/74/41/57/343744157.db2.gz KOJUKIMBWIXZFY-NEPJUHHUSA-N -1 0 249.266 1.060 50 0 BDAARM Cc1cc(=O)oc2cc([O-])c(C=O)cc12 ZINC000000525650 346977641 /nfs/dbraw/zinc/97/76/41/346977641.db2.gz QOBPMBXRUXXOKV-UHFFFAOYSA-N -1 0 204.181 1.620 50 0 biogenic BDAARM O=c1[nH]c(-c2ccc(F)cc2)nc2c1CC[NH2+]C2 ZINC000072221333 187276134 /nfs/dbraw/zinc/27/61/34/187276134.db2.gz IHPPKZOLQWCFCD-UHFFFAOYSA-N -1 0 245.257 1.222 50 0 BDAARM O=C(OCc1ccccc1)N1CC(=O)C=C([O-])C1 ZINC000079036014 187281588 /nfs/dbraw/zinc/28/15/88/187281588.db2.gz LWXKJIHFJCWJGM-UHFFFAOYSA-N -1 0 247.250 1.167 50 0 BDAARM CC(C)(C)OC(=O)Nc1ncc(C(=O)[O-])o1 ZINC000022014311 344079592 /nfs/dbraw/zinc/07/95/92/344079592.db2.gz GRSZRACHQGSPBM-UHFFFAOYSA-N -1 0 228.204 1.720 50 0 BDAARM O=C1[N-]C(=O)NC(c2ccc(Cl)cc2)N1 ZINC000000053746 344101431 /nfs/dbraw/zinc/10/14/31/344101431.db2.gz OQHYGDPMRMKFGX-UHFFFAOYSA-N -1 0 225.635 1.361 50 0 BDAARM COc1ncc(C(F)(F)F)cc1C(=O)[O-] ZINC000095756619 187288322 /nfs/dbraw/zinc/28/83/22/187288322.db2.gz UGYFZOIDWRFBJK-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM COc1c(Cl)ccc(C(=O)[O-])c1O ZINC000212303686 344144084 /nfs/dbraw/zinc/14/40/84/344144084.db2.gz QOAZEMQBVSEXQO-UHFFFAOYSA-N -1 0 202.593 1.752 50 0 BDAARM CCC(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000095969968 187289011 /nfs/dbraw/zinc/28/90/11/187289011.db2.gz LJWMIEAOWKDBPV-UHFFFAOYSA-N -1 0 233.267 1.135 50 0 BDAARM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000097035610 187289621 /nfs/dbraw/zinc/28/96/21/187289621.db2.gz WYGIVIKVGZISCX-MNOVXSKESA-N -1 0 239.315 1.744 50 0 BDAARM O=C1[N-]C(=O)/C(=C\c2ccc3c(c2)CCCO3)N1 ZINC000098063982 187290446 /nfs/dbraw/zinc/29/04/46/187290446.db2.gz QYEVFSYMSKDJNS-JXMROGBWSA-N -1 0 244.250 1.192 50 0 BDAARM CC[C@H](C)N1C(=O)C(CC)C([O-])=NC1=S ZINC000104483681 344460244 /nfs/dbraw/zinc/46/02/44/344460244.db2.gz UVDMRSMTCAKJGM-LURJTMIESA-N -1 0 228.317 1.771 50 0 BDAARM Cc1cc(=O)oc2c3c([O-])coc3ccc12 ZINC000000127622 344558368 /nfs/dbraw/zinc/55/83/68/344558368.db2.gz DPEBIOMWFKNMDW-UHFFFAOYSA-N -1 0 216.192 1.677 50 0 BDAARM CC[C@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000000199156 344629774 /nfs/dbraw/zinc/62/97/74/344629774.db2.gz GBBQRRKJLRBERV-SSDOTTSWSA-N -1 0 242.300 1.973 50 0 BDAARM O=C([O-])[C@]1(c2ccccc2)CC[C@@H](O)C1 ZINC000000295333 344679494 /nfs/dbraw/zinc/67/94/94/344679494.db2.gz OUJQRDINJYZZNS-ZYHUDNBSSA-N -1 0 206.241 1.554 50 0 BDAARM Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)[O-])C2 ZINC000005033551 344911745 /nfs/dbraw/zinc/91/17/45/344911745.db2.gz UMJVJYXBGIYAQJ-LBPRGKRZSA-N -1 0 220.224 1.551 50 0 BDAARM C[C@H]1CCC[C@@H](OCC(=O)N(C)CC(=O)[O-])C1 ZINC000237582261 187294538 /nfs/dbraw/zinc/29/45/38/187294538.db2.gz HIPYYPQUEPAWOX-VHSXEESVSA-N -1 0 243.303 1.125 50 0 BDAARM COc1ccc([C@@H](CC(=O)[O-])NC(C)=O)cc1 ZINC000000390897 229546720 /nfs/dbraw/zinc/54/67/20/229546720.db2.gz PJJWOHFAWCCPGM-LLVKDONJSA-N -1 0 237.255 1.347 50 0 BDAARM Cc1ccc([S@](C)=O)c(CC(=O)[O-])c1 ZINC000044126127 178934867 /nfs/dbraw/zinc/93/48/67/178934867.db2.gz NFQVKEXYECATCM-CQSZACIVSA-N -1 0 212.270 1.360 50 0 BDAARM Cc1ccc2oc(=O)c(CCC(=O)[O-])nc2c1 ZINC000000106608 178986934 /nfs/dbraw/zinc/98/69/34/178986934.db2.gz QMYMRFFXOLTZGD-UHFFFAOYSA-N -1 0 233.223 1.514 50 0 BDAARM Cc1cccc(-n2nn[n-]c2=S)c1C ZINC000006812591 179002441 /nfs/dbraw/zinc/00/24/41/179002441.db2.gz PCOOIZVBJFASKS-UHFFFAOYSA-N -1 0 206.274 1.568 50 0 BDAARM Cc1cccc(C(=O)N(CC(=O)[O-])C2CC2)c1C ZINC000037588430 179006276 /nfs/dbraw/zinc/00/62/76/179006276.db2.gz XRLRLXIJXNORMD-UHFFFAOYSA-N -1 0 247.294 1.993 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)CC1CCCC1 ZINC000038137960 346259744 /nfs/dbraw/zinc/25/97/44/346259744.db2.gz AJPGZEFXRGTWFG-QMMMGPOBSA-N -1 0 213.277 1.546 50 0 BDAARM CCSc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000000040414 346402837 /nfs/dbraw/zinc/40/28/37/346402837.db2.gz BOCNTSOYJLZCSR-UHFFFAOYSA-N -1 0 239.296 1.613 50 0 BDAARM Nc1cc2ccccc2c(S(=O)(=O)[O-])c1 ZINC000002143424 346495430 /nfs/dbraw/zinc/49/54/30/346495430.db2.gz QOHOVCGREXOMGH-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 BDAARM Cc1cccc(N(C)C(=O)/C=C/C(=O)[O-])c1 ZINC000000216598 179110890 /nfs/dbraw/zinc/11/08/90/179110890.db2.gz AGXHSFLPIWWWBP-VOTSOKGWSA-N -1 0 219.240 1.599 50 0 BDAARM CCCCCCOC(=O)/C=C/C(=O)[O-] ZINC000005297632 346616998 /nfs/dbraw/zinc/61/69/98/346616998.db2.gz RNERBJNDXXEXTK-VOTSOKGWSA-N -1 0 200.234 1.751 50 0 BDAARM Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071280737 179138720 /nfs/dbraw/zinc/13/87/20/179138720.db2.gz SYPYJNAYWUJYMG-UWVGGRQHSA-N -1 0 248.282 1.685 50 0 BDAARM CC[C@@H](C)NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000015996791 347140122 /nfs/dbraw/zinc/14/01/22/347140122.db2.gz GQSHCXPRESFZAS-RKDXNWHRSA-N -1 0 230.308 1.583 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000019802695 347288361 /nfs/dbraw/zinc/28/83/61/347288361.db2.gz MJQHNBXBMIPISF-BRAIEQGRSA-N -1 0 249.266 1.616 50 0 BDAARM CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)[O-] ZINC000034612997 347271655 /nfs/dbraw/zinc/27/16/55/347271655.db2.gz XVVUENMKBOOKHM-SECBINFHSA-N -1 0 220.224 1.804 50 0 BDAARM Cc1ccccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000000208874 179247354 /nfs/dbraw/zinc/24/73/54/179247354.db2.gz ZDLGPPDQCGOJTL-UHFFFAOYSA-N -1 0 247.294 1.932 50 0 BDAARM O=C([O-])CC(=O)Cc1cccc(Cl)c1 ZINC000198802562 347668340 /nfs/dbraw/zinc/66/83/40/347668340.db2.gz QCXIZVGFIOFIHA-UHFFFAOYSA-N -1 0 212.632 1.926 50 0 BDAARM Cc1ccccc1N1CC[C@@H](C(=O)[O-])C1=O ZINC000006504719 179296490 /nfs/dbraw/zinc/29/64/90/179296490.db2.gz VAGVPHQLRWQBBN-SECBINFHSA-N -1 0 219.240 1.433 50 0 BDAARM C[C@H](CCC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000070199101 191003072 /nfs/dbraw/zinc/00/30/72/191003072.db2.gz QQPIBROBPGIYKT-MRVPVSSYSA-N -1 0 247.250 1.536 50 0 BDAARM C[C@H](NC(=O)CCC1CCCC1)C(=O)[O-] ZINC000022223031 350087335 /nfs/dbraw/zinc/08/73/35/350087335.db2.gz DDESLMXTQUNWAW-QMMMGPOBSA-N -1 0 213.277 1.546 50 0 BDAARM O=C([O-])c1nc(Cl)cnc1Br ZINC000090225761 191022722 /nfs/dbraw/zinc/02/27/22/191022722.db2.gz AFCNZNOFVBISIG-UHFFFAOYSA-N -1 0 237.440 1.591 50 0 BDAARM Cc1nn(C)c2nc(C)c(Cl)c(C(=O)[O-])c12 ZINC000012395154 180069053 /nfs/dbraw/zinc/06/90/53/180069053.db2.gz XVSGGDHCEZEKFY-UHFFFAOYSA-N -1 0 239.662 1.937 50 0 BDAARM Cc1nc2ccccc2n1C(=O)/C=C\C(=O)[O-] ZINC000006309531 180100838 /nfs/dbraw/zinc/10/08/38/180100838.db2.gz JDJWRGPRGXWLBE-SREVYHEPSA-N -1 0 230.223 1.626 50 0 BDAARM O=Cc1cccnc1-c1ccc(C(=O)[O-])o1 ZINC000725261025 538085822 /nfs/dbraw/zinc/08/58/22/538085822.db2.gz GRBCYOYQZNUYJS-UHFFFAOYSA-N -1 0 217.180 1.852 50 0 BDAARM O=c1nc2c3c4c(sc3ncn2[n-]1)CCCC4 ZINC000012389975 350398960 /nfs/dbraw/zinc/39/89/60/350398960.db2.gz YQZYLBLGGODHHC-UHFFFAOYSA-N -1 0 246.295 1.923 50 0 BDAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)[O-] ZINC000002565074 180349798 /nfs/dbraw/zinc/34/97/98/180349798.db2.gz ODPSFNRSRKYGOG-ONEGZZNKSA-N -1 0 200.625 1.480 50 0 BDAARM Cc1ccc(NC(=O)CCCC(=O)[O-])nc1 ZINC000001113638 351016034 /nfs/dbraw/zinc/01/60/34/351016034.db2.gz NTBKQGKIFJWNRW-UHFFFAOYSA-N -1 0 222.244 1.583 50 0 BDAARM Cc1sc(=O)n(CC(=O)[O-])c1-c1ccccc1 ZINC000021948916 180556344 /nfs/dbraw/zinc/55/63/44/180556344.db2.gz DTMVALWVCPHSKB-UHFFFAOYSA-N -1 0 249.291 1.970 50 0 BDAARM CC(C)CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005907867 351300954 /nfs/dbraw/zinc/30/09/54/351300954.db2.gz TWKDXCVAKKUTGH-NXEZZACHSA-N -1 0 225.288 1.426 50 0 BDAARM Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000196836213 180805991 /nfs/dbraw/zinc/80/59/91/180805991.db2.gz RDGBHWPHTCTABM-UHFFFAOYSA-N -1 0 241.247 1.465 50 0 BDAARM Cc1oncc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000021958067 187936979 /nfs/dbraw/zinc/93/69/79/187936979.db2.gz LHTADVWQJRLHFV-UHFFFAOYSA-N -1 0 246.222 1.934 50 0 BDAARM COC(=O)C[C@H](CC(=O)[O-])n1cccc1 ZINC000003091236 363350494 /nfs/dbraw/zinc/35/04/94/363350494.db2.gz YLZOZOZMEPINAH-QMMMGPOBSA-N -1 0 211.217 1.067 50 0 BDAARM CCCCC[C@H](C)NC(=O)CCC(=O)[O-] ZINC000006042489 168741761 /nfs/dbraw/zinc/74/17/61/168741761.db2.gz GWBNUBOSHDCDIX-VIFPVBQESA-N -1 0 215.293 1.936 50 0 BDAARM Cc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001453011 355763257 /nfs/dbraw/zinc/76/32/57/355763257.db2.gz AUTCHGUUOVSZOZ-VIFPVBQESA-N -1 0 221.281 1.889 50 0 BDAARM NC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000022144557 181262064 /nfs/dbraw/zinc/26/20/64/181262064.db2.gz XASXTCYIFHJOFC-UHFFFAOYSA-N -1 0 214.608 1.529 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC000019438163 356483090 /nfs/dbraw/zinc/48/30/90/356483090.db2.gz PJUQXOAKQPTOKA-QWRGUYRKSA-N -1 0 237.299 1.808 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC000675050899 538473397 /nfs/dbraw/zinc/47/33/97/538473397.db2.gz ZWDWHPPRSFBSKH-KYZUINATSA-N -1 0 221.260 1.532 50 0 BDAARM O=[S@]([O-])c1cnn(-c2ccccc2)c1 ZINC000675061430 538488003 /nfs/dbraw/zinc/48/80/03/538488003.db2.gz VSPVIEOZPWPHGI-UHFFFAOYSA-N 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ZINC000016696752 219813882 /nfs/dbraw/zinc/81/38/82/219813882.db2.gz OREMKVNIDVHGGO-BJMVGYQFSA-N -1 0 241.193 1.526 50 0 BDAARM O=C([O-])c1cc(/C=C\c2csnn2)ncn1 ZINC000381265989 361218093 /nfs/dbraw/zinc/21/80/93/361218093.db2.gz UDZJEYWLOMOEJY-UPHRSURJSA-N -1 0 234.240 1.197 50 0 BDAARM N=C1O[C@H](c2cccc([N+](=O)[O-])c2)C([O-])=C1O ZINC000019879036 368371317 /nfs/dbraw/zinc/37/13/17/368371317.db2.gz BCAJQNFIKJKYTI-SECBINFHSA-N -1 0 236.183 1.971 50 0 BDAARM CCOC(=O)C1=C([O-])c2cc3c(cc2C1)OCO3 ZINC000019908758 368373390 /nfs/dbraw/zinc/37/33/90/368373390.db2.gz RXRUAUQMWSBAFW-VIFPVBQESA-N -1 0 248.234 1.333 50 0 BDAARM O=C([O-])c1c[nH]cc(-c2ccc(F)cc2)c1=O ZINC000113661052 368385030 /nfs/dbraw/zinc/38/50/30/368385030.db2.gz IZTVDTIADHKZNM-UHFFFAOYSA-N -1 0 233.198 1.879 50 0 BDAARM O=c1[nH]c(Br)cnc1NC1CCC1 ZINC000142590118 368392443 /nfs/dbraw/zinc/39/24/43/368392443.db2.gz NXOFMUWKLAGRLV-UHFFFAOYSA-N -1 0 244.092 1.497 50 0 BDAARM Nc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000008419188 181693515 /nfs/dbraw/zinc/69/35/15/181693515.db2.gz XDAMYQIUNAEJEN-UHFFFAOYSA-N -1 0 203.201 1.357 50 0 BDAARM Nc1nc(C(=O)[O-])c(-c2cccnc2)s1 ZINC000020357797 181779618 /nfs/dbraw/zinc/77/96/18/181779618.db2.gz LSHMEKRTDXQFFO-UHFFFAOYSA-N -1 0 221.241 1.486 50 0 BDAARM Cc1ccc(CCN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000002944833 371709741 /nfs/dbraw/zinc/70/97/41/371709741.db2.gz ARRIDUGUVCPYMT-LBPRGKRZSA-N -1 0 247.294 1.471 50 0 BDAARM O=C(c1cccnc1)c1ccc(O)cc1[O-] ZINC000031775760 372105784 /nfs/dbraw/zinc/10/57/84/372105784.db2.gz DNFCTYMEKFFLFF-UHFFFAOYSA-N -1 0 215.208 1.724 50 0 BDAARM O=C(C[C@@H]1CCCO1)NC1(C(=O)[O-])CCCC1 ZINC000106909638 182019323 /nfs/dbraw/zinc/01/93/23/182019323.db2.gz YUDGBVUMCPOASI-VIFPVBQESA-N -1 0 241.287 1.069 50 0 BDAARM O=C([O-])c1cccc(NC(=O)C[C@@H]2CCCO2)c1 ZINC000095949658 182019401 /nfs/dbraw/zinc/01/94/01/182019401.db2.gz PJFJHMRLHMPKPF-NSHDSACASA-N -1 0 249.266 1.892 50 0 BDAARM O=C([O-])C1CC(NC(=O)OCc2ccccc2)C1 ZINC000003880947 182093173 /nfs/dbraw/zinc/09/31/73/182093173.db2.gz OBTCPLYMKZBZTO-UHFFFAOYSA-N -1 0 249.266 1.776 50 0 BDAARM O=C([O-])[C@@H](NC(=O)NC1CC1)c1ccccc1 ZINC000040528913 182097222 /nfs/dbraw/zinc/09/72/22/182097222.db2.gz WRVJRYBZXIWNKR-JTQLQIEISA-N -1 0 234.255 1.274 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000095961764 182309286 /nfs/dbraw/zinc/30/92/86/182309286.db2.gz SHIYTWOSHQXLME-NXEZZACHSA-N -1 0 234.255 1.065 50 0 BDAARM O=C([O-])C1=NO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000012398975 182427775 /nfs/dbraw/zinc/42/77/75/182427775.db2.gz WIFXKNNOSGOZBW-SECBINFHSA-N -1 0 227.166 1.867 50 0 BDAARM O=C([O-])CCCn1ncc2ccccc21 ZINC000032917365 182442927 /nfs/dbraw/zinc/44/29/27/182442927.db2.gz PSQQXXLDCCAPNU-UHFFFAOYSA-N -1 0 204.229 1.901 50 0 BDAARM O=C([O-])C[C@H]1C(=O)Nc2nc3ccccc3n21 ZINC000008701461 182483850 /nfs/dbraw/zinc/48/38/50/182483850.db2.gz DZTIUSDFLLKCCE-QMMMGPOBSA-N -1 0 231.211 1.004 50 0 BDAARM O=C([O-])Cn1ccc(=O)c2cccc(F)c21 ZINC000026507935 182497202 /nfs/dbraw/zinc/49/72/02/182497202.db2.gz PWTGKIOFDDTHIC-UHFFFAOYSA-N -1 0 221.187 1.225 50 0 BDAARM O=C([O-])Cc1c(F)c(F)nc(F)c1F ZINC000001020775 182488015 /nfs/dbraw/zinc/48/80/15/182488015.db2.gz SOHLFVREHOCIMD-UHFFFAOYSA-N -1 0 209.098 1.265 50 0 BDAARM O=C([O-])[C@@H]1CCCN(c2nc3ncccc3o2)C1 ZINC000014987602 182510682 /nfs/dbraw/zinc/51/06/82/182510682.db2.gz FMXXHFFIISQPOF-MRVPVSSYSA-N -1 0 247.254 1.524 50 0 BDAARM O=C([O-])[C@H](O)Cc1ccccc1Cl ZINC000032009960 182527616 /nfs/dbraw/zinc/52/76/16/182527616.db2.gz VKBJHUQUYGMTJL-MRVPVSSYSA-N -1 0 200.621 1.328 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccco1 ZINC000253370931 182520855 /nfs/dbraw/zinc/52/08/55/182520855.db2.gz YJIFMIDCSSZDJK-AEJSXWLSSA-N -1 0 249.266 1.664 50 0 BDAARM O=C([O-])[C@H]1CNc2ccc(C(F)(F)F)cc2O1 ZINC000020357833 182542965 /nfs/dbraw/zinc/54/29/65/182542965.db2.gz SDMGVMKYXXJFLQ-MRVPVSSYSA-N -1 0 247.172 1.963 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@H]1c1ccccc1 ZINC000040162864 182531720 /nfs/dbraw/zinc/53/17/20/182531720.db2.gz DFDYQFDORBLAGV-AAEUAGOBSA-N -1 0 245.278 1.823 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccncc1 ZINC000021952205 182534016 /nfs/dbraw/zinc/53/40/16/182534016.db2.gz CMAFVRLPPUKMJY-SNVBAGLBSA-N -1 0 234.255 1.161 50 0 BDAARM O=C([O-])c1ccc(-c2ccco2)[nH]c1=O ZINC000038478113 182562704 /nfs/dbraw/zinc/56/27/04/182562704.db2.gz VQKSLZHHOKQLSA-UHFFFAOYSA-N -1 0 205.169 1.333 50 0 biogenic BDAARM O=C([O-])c1cn(-c2ccccc2Cl)nn1 ZINC000020216547 182587176 /nfs/dbraw/zinc/58/71/76/182587176.db2.gz KFXPXGBVJANHQI-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM O=c1cn[n-]c(Nc2ccc(F)cc2)n1 ZINC000012732077 183007089 /nfs/dbraw/zinc/00/70/89/183007089.db2.gz JBFARSKMUTUTQO-UHFFFAOYSA-N -1 0 206.180 1.048 50 0 BDAARM O=c1cnnc(Nc2ccc(O)cc2)[n-]1 ZINC000008741398 183276160 /nfs/dbraw/zinc/27/61/60/183276160.db2.gz QUZOFJZBFGZQNI-UHFFFAOYSA-N -1 0 204.189 1.026 50 0 BDAARM CCCOc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000002294981 169316869 /nfs/dbraw/zinc/31/68/69/169316869.db2.gz OOOAIJCHAPYKDA-UHFFFAOYSA-N -1 0 237.255 1.290 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H](F)C[C@H]1C(=O)[O-] ZINC000085224435 166653910 /nfs/dbraw/zinc/65/39/10/166653910.db2.gz HTEKKPRKMGEXAE-YUMQZZPRSA-N -1 0 247.266 1.809 50 0 BDAARM CC[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000022221848 535463515 /nfs/dbraw/zinc/46/35/15/535463515.db2.gz MUZLODJYUUERHJ-SFYZADRCSA-N -1 0 201.266 1.258 50 0 BDAARM CCCn1nc(C)c(-c2cc(C(=O)[O-])n[nH]2)c1C ZINC000004943299 169623977 /nfs/dbraw/zinc/62/39/77/169623977.db2.gz ZRHZHIOHCZQIBS-UHFFFAOYSA-N -1 0 248.286 1.998 50 0 BDAARM O=C([O-])CCC(=O)Nc1cc(Cl)ccc1O ZINC000000191332 383841628 /nfs/dbraw/zinc/84/16/28/383841628.db2.gz DKNAZEHSBRBUOP-UHFFFAOYSA-N -1 0 243.646 1.849 50 0 BDAARM O=C([O-])Cn1cc(-c2ccccc2)nn1 ZINC000000194537 383843148 /nfs/dbraw/zinc/84/31/48/383843148.db2.gz SRXSKSFFMPPQEU-UHFFFAOYSA-N -1 0 203.201 1.030 50 0 BDAARM O=C([O-])CSC(=S)N1CCCCC1 ZINC000000241551 383845173 /nfs/dbraw/zinc/84/51/73/383845173.db2.gz OKGGXLDTGBINSP-UHFFFAOYSA-N -1 0 219.331 1.575 50 0 BDAARM O=C([O-])CCCc1nc2ccccc2[nH]1 ZINC000000210315 383845936 /nfs/dbraw/zinc/84/59/36/383845936.db2.gz ZDHBKJAJFVSOSF-UHFFFAOYSA-N -1 0 204.229 1.970 50 0 BDAARM O=C([O-])Cc1ccc(Br)cn1 ZINC000035569930 383859615 /nfs/dbraw/zinc/85/96/15/383859615.db2.gz ATKULCGQSLCGEK-UHFFFAOYSA-N -1 0 216.034 1.471 50 0 BDAARM O=C([O-])Cc1cc(C(F)(F)F)ccn1 ZINC000035569942 383859813 /nfs/dbraw/zinc/85/98/13/383859813.db2.gz BVLVCJRDGKYAOK-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM O=C([O-])CNc1ncnc2ccccc21 ZINC000000118551 383830388 /nfs/dbraw/zinc/83/03/88/383830388.db2.gz GQLYDNMTAYXPLC-UHFFFAOYSA-N -1 0 203.201 1.126 50 0 BDAARM O=C([O-])CSc1nnc(-c2cccnc2)o1 ZINC000000925477 383884210 /nfs/dbraw/zinc/88/42/10/383884210.db2.gz IEDZUKIJAFKMSJ-UHFFFAOYSA-N -1 0 237.240 1.308 50 0 BDAARM COc1cc(C(=O)[O-])cnc1Br ZINC000088190164 383886251 /nfs/dbraw/zinc/88/62/51/383886251.db2.gz AQZZZZIRQPMGSY-UHFFFAOYSA-N -1 0 232.033 1.551 50 0 BDAARM O=C([O-])c1cn2c(cccc2Br)n1 ZINC000036243570 383891390 /nfs/dbraw/zinc/89/13/90/383891390.db2.gz OTRXOKOMHXXKKN-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM Cc1nnsc1S[C@H](C)C(=O)[O-] ZINC000001385571 383895949 /nfs/dbraw/zinc/89/59/49/383895949.db2.gz JFZLTSZKHXCPCB-SCSAIBSYSA-N -1 0 204.276 1.412 50 0 BDAARM O=C([O-])CCNC(=O)c1ccccc1Cl ZINC000003160987 383999932 /nfs/dbraw/zinc/99/99/32/383999932.db2.gz YXMWSRFNCJGXLD-UHFFFAOYSA-N -1 0 227.647 1.545 50 0 BDAARM O=C([O-])CCCC(=O)NCc1ccccc1 ZINC000002143645 383952776 /nfs/dbraw/zinc/95/27/76/383952776.db2.gz QJKFETKWAWVFBY-UHFFFAOYSA-N -1 0 221.256 1.558 50 0 BDAARM O=C([O-])CN[C@H](c1ccccc1)C(F)(F)F ZINC000068590265 384000639 /nfs/dbraw/zinc/00/06/39/384000639.db2.gz BSYFZKSBWDMHSB-SECBINFHSA-N -1 0 233.189 1.964 50 0 BDAARM CC[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002540503 383973982 /nfs/dbraw/zinc/97/39/82/383973982.db2.gz NEIGWFMADWPGEL-SSDOTTSWSA-N -1 0 217.265 1.622 50 0 BDAARM O=C([O-])Cn1cnc2c3ccccc3oc2c1=O ZINC000004206575 384044617 /nfs/dbraw/zinc/04/46/17/384044617.db2.gz CCLZWLMZZHIGPX-UHFFFAOYSA-N -1 0 244.206 1.227 50 0 BDAARM O=C([O-])CN1C(=O)CC(c2ccccc2)CC1=O ZINC000004503928 384064779 /nfs/dbraw/zinc/06/47/79/384064779.db2.gz OXUSRELOYBHRRX-UHFFFAOYSA-N -1 0 247.250 1.004 50 0 BDAARM O=C([O-])Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC000004976927 384091118 /nfs/dbraw/zinc/09/11/18/384091118.db2.gz NOFFCWXIBYKMBU-UHFFFAOYSA-N -1 0 248.204 1.865 50 0 in-vitro BDAARM O=C([O-])C[C@@H]1CCC(=O)N1c1ccccc1 ZINC000039320479 384112648 /nfs/dbraw/zinc/11/26/48/384112648.db2.gz ZQJITILATBGICR-JTQLQIEISA-N -1 0 219.240 1.657 50 0 BDAARM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000033434474 384174411 /nfs/dbraw/zinc/17/44/11/384174411.db2.gz PVNYUBVYNXAWMN-DTWKUNHWSA-N -1 0 237.255 1.043 50 0 BDAARM CC(=O)c1cccc(-n2nn[n-]c2=S)c1 ZINC000006857263 384169407 /nfs/dbraw/zinc/16/94/07/384169407.db2.gz VAGPZPLLQLBYGH-UHFFFAOYSA-N -1 0 220.257 1.154 50 0 BDAARM O=S(=O)(c1ccccc1[O-])N1CCCC1 ZINC000071533223 384170900 /nfs/dbraw/zinc/17/09/00/384170900.db2.gz KSQKOCRHCYTYLM-UHFFFAOYSA-N -1 0 227.285 1.177 50 0 BDAARM COc1c(F)cc(F)cc1CCC(=O)[O-] ZINC000071867262 384183445 /nfs/dbraw/zinc/18/34/45/384183445.db2.gz CFDNYIGTRFYOKF-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM O=C([O-])c1cc(N2CCCC2=O)ccc1O ZINC000072324069 384208312 /nfs/dbraw/zinc/20/83/12/384208312.db2.gz YQIXKNHWRZLEIN-UHFFFAOYSA-N -1 0 221.212 1.217 50 0 BDAARM CS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000042684489 384237506 /nfs/dbraw/zinc/23/75/06/384237506.db2.gz HBBPBQPKQRWCBA-UHFFFAOYSA-N -1 0 234.660 1.442 50 0 BDAARM CC(=O)c1cccc(Nc2nncc(=O)[n-]2)c1 ZINC000008741151 384215308 /nfs/dbraw/zinc/21/53/08/384215308.db2.gz ZWFSRPMYMPPBIE-UHFFFAOYSA-N -1 0 230.227 1.523 50 0 BDAARM O=C([O-])CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009304531 384242500 /nfs/dbraw/zinc/24/25/00/384242500.db2.gz FTLYYVGOFRQPIX-UHFFFAOYSA-N -1 0 231.610 1.892 50 0 BDAARM CS(=O)(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012505408 384322341 /nfs/dbraw/zinc/32/23/41/384322341.db2.gz LRRWVFGCWMMXGR-QPJJXVBHSA-N -1 0 241.268 1.156 50 0 BDAARM O=C([O-])C1=NO[C@@H](c2cccc(F)c2)C1 ZINC000012399094 384317423 /nfs/dbraw/zinc/31/74/23/384317423.db2.gz ZCNZQAKXRVSUJS-SECBINFHSA-N -1 0 209.176 1.728 50 0 BDAARM O=C([O-])CCCNC(=O)c1ccc(F)cc1F ZINC000012504815 384322932 /nfs/dbraw/zinc/32/29/32/384322932.db2.gz NNCYCANQJMAAAJ-UHFFFAOYSA-N -1 0 243.209 1.559 50 0 BDAARM Cc1cc(O)cc(C)c1/C=C1\NC(=O)[N-]C1=O ZINC000013464356 384358582 /nfs/dbraw/zinc/35/85/82/384358582.db2.gz SETYMDQNVJNJPG-YHYXMXQVSA-N -1 0 232.239 1.189 50 0 BDAARM O=C([O-])c1ccc(O)c(OCC2CC2)c1 ZINC000095829953 384400094 /nfs/dbraw/zinc/40/00/94/384400094.db2.gz CPGNRCZMIIWDPZ-UHFFFAOYSA-N -1 0 208.213 1.879 50 0 BDAARM O=C([O-])Cn1ccc2sccc2c1=O ZINC000045795914 384408657 /nfs/dbraw/zinc/40/86/57/384408657.db2.gz XFDQPDDFFGWKQR-UHFFFAOYSA-N -1 0 209.226 1.148 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C(F)(F)F ZINC000095642218 384385870 /nfs/dbraw/zinc/38/58/70/384385870.db2.gz DRKWWMGEXDHBSK-BYPYZUCNSA-N -1 0 243.181 1.527 50 0 BDAARM CC/C=C(\C)C(=O)N(CC(=O)[O-])CC(C)C ZINC000219572177 384386466 /nfs/dbraw/zinc/38/64/66/384386466.db2.gz WRGYQMHQIBJKNZ-UXBLZVDNSA-N -1 0 227.304 1.912 50 0 BDAARM CC(C)Cn1cc([C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC000096509122 384460717 /nfs/dbraw/zinc/46/07/17/384460717.db2.gz IOIRLXQTYQZJQA-VHSXEESVSA-N -1 0 208.261 1.727 50 0 BDAARM CC(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000016624063 384463365 /nfs/dbraw/zinc/46/33/65/384463365.db2.gz DYTODXRADQAPQX-UHFFFAOYSA-N -1 0 207.229 1.960 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019267307 384514016 /nfs/dbraw/zinc/51/40/16/384514016.db2.gz IJTOTRUJDDJHPO-LDYMZIIASA-N -1 0 233.267 1.657 50 0 BDAARM O=C([O-])CNC(=O)c1cc2ccccc2o1 ZINC000019515874 384527801 /nfs/dbraw/zinc/52/78/01/384527801.db2.gz RVHGZLBJHUREQW-UHFFFAOYSA-N -1 0 219.196 1.247 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1Cc2ccccc2C1 ZINC000050911342 384530296 /nfs/dbraw/zinc/53/02/96/384530296.db2.gz FECVBULPMRJBKV-WDEREUQCSA-N -1 0 231.251 1.250 50 0 BDAARM O=C([O-])Cc1csc(C(F)(F)F)n1 ZINC000019726947 384533318 /nfs/dbraw/zinc/53/33/18/384533318.db2.gz PVNODMDGRUQZKO-UHFFFAOYSA-N -1 0 211.164 1.789 50 0 BDAARM CC(C(=O)N1CCC[C@@H]1C(=O)[O-])=C1CCCC1 ZINC000236693557 384559923 /nfs/dbraw/zinc/55/99/23/384559923.db2.gz LYOGCGLROQNWSZ-LLVKDONJSA-N -1 0 237.299 1.953 50 0 BDAARM O=C([O-])CCc1nnc(-c2ccccn2)o1 ZINC000019780304 384538444 /nfs/dbraw/zinc/53/84/44/384538444.db2.gz UZSDZFKFFIUXJQ-UHFFFAOYSA-N -1 0 219.200 1.149 50 0 BDAARM O=C([O-])CCCn1nnc(-c2ccccc2)n1 ZINC000019817844 384541272 /nfs/dbraw/zinc/54/12/72/384541272.db2.gz WSRYMQSWEWOMRO-UHFFFAOYSA-N -1 0 232.243 1.205 50 0 BDAARM CCc1c(C(=O)[O-])nnn1Cc1ccccc1F ZINC000050214223 384609035 /nfs/dbraw/zinc/60/90/35/384609035.db2.gz IDAWCRFYLDGQPQ-UHFFFAOYSA-N -1 0 249.245 1.726 50 0 BDAARM CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)[O-] ZINC000020285171 384610408 /nfs/dbraw/zinc/61/04/08/384610408.db2.gz KOTSMFCVHBPFCV-SECBINFHSA-N -1 0 213.277 1.402 50 0 BDAARM O=C([O-])C1(C(=O)NCc2ccccc2)CC1 ZINC000050289751 384615749 /nfs/dbraw/zinc/61/57/49/384615749.db2.gz ZIPURTBBOFIUNR-UHFFFAOYSA-N -1 0 219.240 1.168 50 0 BDAARM O=C([O-])[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000100236175 384625653 /nfs/dbraw/zinc/62/56/53/384625653.db2.gz VCQNFTHBRZIIOF-NSHDSACASA-N -1 0 233.267 1.162 50 0 BDAARM Cc1cc2[n-]c(C(F)(F)F)nn2c(=O)c1 ZINC000100563853 384647331 /nfs/dbraw/zinc/64/73/31/384647331.db2.gz DSCVNBORKMEUBZ-UHFFFAOYSA-N -1 0 217.150 1.350 50 0 BDAARM CCC1C(=O)N(c2cccnc2)C(=S)N=C1[O-] ZINC000100609665 384647399 /nfs/dbraw/zinc/64/73/99/384647399.db2.gz RLZUIPQMCVYKIM-UHFFFAOYSA-N -1 0 249.295 1.184 50 0 BDAARM Cc1nc(C)c(C(=O)N(C)C[C@H](C)C(=O)[O-])o1 ZINC000082243616 384740520 /nfs/dbraw/zinc/74/05/20/384740520.db2.gz UHTSHANFIASAFS-LURJTMIESA-N -1 0 240.259 1.084 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000082865935 384744623 /nfs/dbraw/zinc/74/46/23/384744623.db2.gz CWBFQTYHXMPEGA-SNVBAGLBSA-N -1 0 223.272 1.276 50 0 BDAARM O=C([O-])CCc1nc(Cc2cccs2)no1 ZINC000052899940 384753223 /nfs/dbraw/zinc/75/32/23/384753223.db2.gz RQTPBGBQYAWWGL-UHFFFAOYSA-N -1 0 238.268 1.739 50 0 BDAARM O=C([O-])c1nccnc1Oc1ccccc1 ZINC000054552906 384841834 /nfs/dbraw/zinc/84/18/34/384841834.db2.gz SFNVBOIOSGJNIQ-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM O=C([O-])Cn1c(-c2ccccc2)n[nH]c1=S ZINC000032099939 385130781 /nfs/dbraw/zinc/13/07/81/385130781.db2.gz LLSYGKQHAYFNCR-UHFFFAOYSA-N -1 0 235.268 1.692 50 0 BDAARM Cn1ncnc1-c1ccc(C(=O)[O-])cc1 ZINC000061811304 385139718 /nfs/dbraw/zinc/13/97/18/385139718.db2.gz DQWAODQLNJKZFA-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM CCN(C)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050929405 385096028 /nfs/dbraw/zinc/09/60/28/385096028.db2.gz PSKROBPQEIAFKA-UHFFFAOYSA-N -1 0 242.319 1.635 50 0 BDAARM COc1cc(CC(=O)[O-])cc(C(F)(F)F)n1 ZINC000095762041 385205171 /nfs/dbraw/zinc/20/51/71/385205171.db2.gz FSVGOPBXVXYPRA-UHFFFAOYSA-N -1 0 235.161 1.736 50 0 BDAARM O=C([O-])CC[C@]12CCCC[C@@]1(O)OC(=O)CC2 ZINC000000518858 385397043 /nfs/dbraw/zinc/39/70/43/385397043.db2.gz IIYRECQWHLPTMB-NWDGAFQWSA-N -1 0 242.271 1.437 50 0 biogenic BDAARM O=C([O-])CCC(=O)[C@@H]1COc2ccccc2O1 ZINC000000518896 385399494 /nfs/dbraw/zinc/39/94/94/385399494.db2.gz NONVECXGZXUMCC-NSHDSACASA-N -1 0 236.223 1.260 50 0 biogenic BDAARM O=C(c1c([O-])cccc1F)N1CCCO1 ZINC000120751685 385414836 /nfs/dbraw/zinc/41/48/36/385414836.db2.gz SEHLKAPGKWPLTP-UHFFFAOYSA-N -1 0 211.192 1.309 50 0 BDAARM O=C([O-])[C@]1(Cc2ccccc2)CCCCC(=O)N1 ZINC000169676384 385417479 /nfs/dbraw/zinc/41/74/79/385417479.db2.gz HZJAEJOBMCPWSS-CQSZACIVSA-N -1 0 247.294 1.743 50 0 BDAARM CN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000156001711 385427442 /nfs/dbraw/zinc/42/74/42/385427442.db2.gz JOQRZQJSDFDNNR-MNOVXSKESA-N -1 0 248.282 1.118 50 0 BDAARM CC(C)c1noc(CSc2n[nH]c(=O)[n-]2)n1 ZINC000194640283 385530375 /nfs/dbraw/zinc/53/03/75/385530375.db2.gz WCHRJROJBPAMEJ-UHFFFAOYSA-N -1 0 241.276 1.309 50 0 BDAARM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000095961813 385864290 /nfs/dbraw/zinc/86/42/90/385864290.db2.gz VRDAPWUWOORNQN-NEPJUHHUSA-N -1 0 247.294 1.978 50 0 BDAARM O=c1[nH]cncc1-c1nc(-c2cccs2)no1 ZINC000221630291 386013462 /nfs/dbraw/zinc/01/34/62/386013462.db2.gz HJHCYOLVBALYMD-UHFFFAOYSA-N -1 0 246.251 1.548 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000128594834 386016663 /nfs/dbraw/zinc/01/66/63/386016663.db2.gz KLWLTLSVYMVIRW-OUAUKWLOSA-N -1 0 237.299 1.498 50 0 BDAARM CCO[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000236914055 386325852 /nfs/dbraw/zinc/32/58/52/386325852.db2.gz SRMXBVKFPUXBFG-MRVPVSSYSA-N -1 0 237.255 1.748 50 0 BDAARM O=[P@@]([O-])(O)Cc1ccc(F)c(F)c1 ZINC000238730549 386529807 /nfs/dbraw/zinc/52/98/07/386529807.db2.gz RBWZNPGUZZKJHV-UHFFFAOYSA-N -1 0 208.100 1.643 50 0 BDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CSC)C1 ZINC000062869755 386641906 /nfs/dbraw/zinc/64/19/06/386641906.db2.gz CGFPFJMHCGCMBJ-NSHDSACASA-N -1 0 245.344 1.453 50 0 BDAARM Cn1nc(C(=O)[O-])nc1-c1cccc2c1OCC2 ZINC000534585492 386646443 /nfs/dbraw/zinc/64/64/43/386646443.db2.gz LSOJAHOFBFCYFP-UHFFFAOYSA-N -1 0 245.238 1.115 50 0 BDAARM Cn1cc(-c2cccc3c2OCC3)c(C(=O)[O-])n1 ZINC000534585930 386646504 /nfs/dbraw/zinc/64/65/04/386646504.db2.gz TWCPLFWYMKDBNN-UHFFFAOYSA-N -1 0 244.250 1.720 50 0 BDAARM CCc1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000461705 386716682 /nfs/dbraw/zinc/71/66/82/386716682.db2.gz KMKWOFRSOXHIAE-VOTSOKGWSA-N -1 0 219.240 1.828 50 0 BDAARM C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)[O-] ZINC000049543583 386766555 /nfs/dbraw/zinc/76/65/55/386766555.db2.gz KLCXLVJQJFDFPJ-QMMMGPOBSA-N -1 0 246.266 1.381 50 0 biogenic BDAARM CC(C)Cn1nnc2c1C[C@H](C(=O)[O-])CC2 ZINC000536948763 387160576 /nfs/dbraw/zinc/16/05/76/387160576.db2.gz REGDFICWYLWJDF-MRVPVSSYSA-N -1 0 223.276 1.124 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000000403288 322809500 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388055035 /nfs/dbraw/zinc/05/50/35/388055035.db2.gz ZUXUEECFWNKYMK-SECBINFHSA-N -1 0 227.289 1.148 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1cccnc1 ZINC000208485188 256584087 /nfs/dbraw/zinc/58/40/87/256584087.db2.gz DCLYOJVQMUITKT-ISALQUGTSA-N -1 0 246.266 1.170 50 0 BDAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1F ZINC000070309751 388435940 /nfs/dbraw/zinc/43/59/40/388435940.db2.gz OUPCXLNKCTZSKU-QMMMGPOBSA-N -1 0 239.246 1.809 50 0 BDAARM Cc1n[nH]c(COc2ccccc2)c1C(=O)[O-] ZINC000066134306 388683165 /nfs/dbraw/zinc/68/31/65/388683165.db2.gz ZOHBAIGMHZEEBG-UHFFFAOYSA-N -1 0 232.239 1.995 50 0 BDAARM O=C([O-])CCc1noc(-c2cccnc2)n1 ZINC000019682313 388745682 /nfs/dbraw/zinc/74/56/82/388745682.db2.gz TXZMETOEZSWRAF-UHFFFAOYSA-N -1 0 219.200 1.149 50 0 BDAARM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000095961812 388795702 /nfs/dbraw/zinc/79/57/02/388795702.db2.gz VRDAPWUWOORNQN-VXGBXAGGSA-N -1 0 247.294 1.978 50 0 BDAARM CCN(CC(=O)[O-])C(=O)CCc1ccsc1 ZINC000096480073 388819959 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/nfs/dbraw/zinc/13/45/02/168134502.db2.gz CUGBBQWDGCXWNB-UHFFFAOYSA-N -1 0 218.212 1.497 50 0 BDAARM CCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000011638240 168212566 /nfs/dbraw/zinc/21/25/66/168212566.db2.gz YOZGYUWJZYROAE-UHFFFAOYSA-N -1 0 207.229 1.758 50 0 BDAARM CCC(=O)O[C@@H](C)C(C)(C)CC(=O)[O-] ZINC000238219443 168249328 /nfs/dbraw/zinc/24/93/28/168249328.db2.gz UZTNZRHGVSSIJS-ZETCQYMHSA-N -1 0 202.250 1.829 50 0 BDAARM CCC(C)(C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091293236 168263300 /nfs/dbraw/zinc/26/33/00/168263300.db2.gz JJDMFMSRKLGNEG-VIFPVBQESA-N -1 0 243.303 1.125 50 0 BDAARM CCOC(=O)C=C([O-])c1ccc(OC)cc1F ZINC000075903663 170197034 /nfs/dbraw/zinc/19/70/34/170197034.db2.gz FPBQJGFCDJXLLF-UHFFFAOYSA-N -1 0 240.230 1.970 50 0 BDAARM CCOC(=O)C=C([O-])c1cccc(O)c1 ZINC000075615491 170197489 /nfs/dbraw/zinc/19/74/89/170197489.db2.gz YPJAPEQIQIIHDG-UHFFFAOYSA-N -1 0 208.213 1.528 50 0 BDAARM CCOC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000019276560 170239574 /nfs/dbraw/zinc/23/95/74/170239574.db2.gz QIINMEGWTDLIJO-ZETCQYMHSA-N -1 0 201.222 1.082 50 0 BDAARM CCOC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000003080831 170262143 /nfs/dbraw/zinc/26/21/43/170262143.db2.gz DIKKCRMDEAACQI-MFKMUULPSA-N -1 0 234.251 1.808 50 0 BDAARM CCOC(=O)[C@H](C(=O)[O-])C1CCCCC1 ZINC000000449090 170264020 /nfs/dbraw/zinc/26/40/20/170264020.db2.gz WSIZPDOYJBUYBA-VIFPVBQESA-N -1 0 214.261 1.831 50 0 BDAARM CCOC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000000032517 170286736 /nfs/dbraw/zinc/28/67/36/170286736.db2.gz VZZQCXPDRSMKPM-UHFFFAOYSA-N -1 0 211.217 1.506 50 0 BDAARM CCOC(=O)c1cc(C(=O)[O-])c(C)nc1C ZINC000015121067 170290735 /nfs/dbraw/zinc/29/07/35/170290735.db2.gz UXGIEYNFUOSRFI-UHFFFAOYSA-N -1 0 223.228 1.573 50 0 BDAARM CCOC(=O)c1cc(N)cc(C(=O)[O-])c1 ZINC000095933291 170292194 /nfs/dbraw/zinc/29/21/94/170292194.db2.gz FWJOEEOPJUMDND-UHFFFAOYSA-N -1 0 209.201 1.144 50 0 BDAARM CCOC(=O)c1cc(F)c([O-])c(F)c1F ZINC000047202884 170292366 /nfs/dbraw/zinc/29/23/66/170292366.db2.gz VDIUATOCPYUEQQ-UHFFFAOYSA-N -1 0 220.146 1.986 50 0 BDAARM CCOC(=O)n1[n-]c(=O)c2ccccc21 ZINC000000482073 170310988 /nfs/dbraw/zinc/31/09/88/170310988.db2.gz RFZCKRFBTMJGTK-UHFFFAOYSA-N -1 0 206.201 1.334 50 0 BDAARM CCOC([O-])=NC(=S)N=c1[nH]ccs1 ZINC000020280910 411682290 /nfs/dbraw/zinc/68/22/90/411682290.db2.gz SAWXOPRCFFDKPL-UHFFFAOYSA-N -1 0 231.302 1.586 50 0 BDAARM CCc1nc2ccc(C(=O)[O-])cc2n1C ZINC000042784258 172012759 /nfs/dbraw/zinc/01/27/59/172012759.db2.gz WJZGJEZBXGXYLL-UHFFFAOYSA-N -1 0 204.229 1.834 50 0 BDAARM CCn1cc(-c2cc(C(=O)[O-])no2)cn1 ZINC000002538052 172148657 /nfs/dbraw/zinc/14/86/57/172148657.db2.gz NMXULXSUNMRZSG-UHFFFAOYSA-N -1 0 207.189 1.256 50 0 BDAARM CCn1cc(Cl)c(C([O-])=CC(=O)OC)n1 ZINC000048623154 172177424 /nfs/dbraw/zinc/17/74/24/172177424.db2.gz AMJLQPANUOPTCH-UHFFFAOYSA-N -1 0 230.651 1.302 50 0 BDAARM CCn1nc(C)c(C(=O)[O-])c1C(F)(F)F ZINC000074941790 172245042 /nfs/dbraw/zinc/24/50/42/172245042.db2.gz KBNZNCLASYOMOT-UHFFFAOYSA-N -1 0 222.166 1.928 50 0 BDAARM CCn1nc(CNc2cccc(OC)c2)[n-]c1=O ZINC000040283203 172250011 /nfs/dbraw/zinc/25/00/11/172250011.db2.gz JANPVOXVJPGTSM-UHFFFAOYSA-N -1 0 248.286 1.212 50 0 BDAARM CN(C(=O)OC(C)(C)C)C1(C(=O)[O-])CC1 ZINC000096675750 172324511 /nfs/dbraw/zinc/32/45/11/172324511.db2.gz SGWWJFJPLPQMBP-UHFFFAOYSA-N -1 0 215.249 1.471 50 0 BDAARM CN(C(=O)c1ccc(C(=O)[O-])nc1)C1CCCC1 ZINC000035185958 172339401 /nfs/dbraw/zinc/33/94/01/172339401.db2.gz IKFKMOZWYRUYRO-UHFFFAOYSA-N -1 0 248.282 1.794 50 0 BDAARM CN1C(=O)CC[C@H]1c1cnccc1CCC(=O)[O-] ZINC000095743111 172963639 /nfs/dbraw/zinc/96/36/39/172963639.db2.gz MJLOIRNHTZEBKG-NSHDSACASA-N -1 0 248.282 1.392 50 0 BDAARM COC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000091302220 173750711 /nfs/dbraw/zinc/75/07/11/173750711.db2.gz CNRLZWCRQCKPSD-VHSXEESVSA-N -1 0 220.224 1.661 50 0 BDAARM COCCOc1cc(C(=O)[O-])nc2ccccc21 ZINC000088611643 174367950 /nfs/dbraw/zinc/36/79/50/174367950.db2.gz DXCUSGFEDABNDO-UHFFFAOYSA-N -1 0 247.250 1.958 50 0 BDAARM COc1cc(/C=C/C(=O)[O-])cc2c1OCCO2 ZINC000004205800 174939884 /nfs/dbraw/zinc/93/98/84/174939884.db2.gz CUZMVJLTCPHMLR-NSCUHMNNSA-N -1 0 236.223 1.564 50 0 BDAARM COc1cc(/C=C\C(=O)[O-])cc(OC)c1O ZINC000006004394 174941734 /nfs/dbraw/zinc/94/17/34/174941734.db2.gz PCMORTLOPMLEFB-ARJAWSKDSA-N -1 0 224.212 1.507 50 0 endogenous,in-man BDAARM COc1cc(C)ccc1OCCC(=O)[O-] ZINC000019269200 174969485 /nfs/dbraw/zinc/96/94/85/174969485.db2.gz HGDXOMWDJUKJPN-UHFFFAOYSA-N -1 0 210.229 1.857 50 0 BDAARM COc1cc2[nH]c(C(=O)[O-])c(N)c2cc1OC ZINC000001235070 175018731 /nfs/dbraw/zinc/01/87/31/175018731.db2.gz PSJDQVPABGAQTK-UHFFFAOYSA-N -1 0 236.227 1.466 50 0 BDAARM COc1cc2c(cc1OC)NC[C@H](C(=O)[O-])C2 ZINC000002506822 175024615 /nfs/dbraw/zinc/02/46/15/175024615.db2.gz QGAKCPDSXZGWKV-MRVPVSSYSA-N -1 0 237.255 1.373 50 0 biogenic BDAARM COc1cc2cc(C(=O)[O-])c(=O)[nH]c2cc1OC ZINC000011956245 175026219 /nfs/dbraw/zinc/02/62/19/175026219.db2.gz GOUXIRZIIJBHEA-UHFFFAOYSA-N -1 0 249.222 1.244 50 0 BDAARM COc1ccc(/C=C(\NC(C)=O)C(=O)[O-])cc1 ZINC000012364122 175046565 /nfs/dbraw/zinc/04/65/65/175046565.db2.gz NPEYOJSWXAGTJW-XFFZJAGNSA-N -1 0 235.239 1.257 50 0 BDAARM COc1ccc(C(=O)[O-])cc1Cn1ccnc1 ZINC000024547834 175064190 /nfs/dbraw/zinc/06/41/90/175064190.db2.gz FXQYSEITUGBQOJ-UHFFFAOYSA-N -1 0 232.239 1.638 50 0 BDAARM COc1ccc(C(=O)[O-])cc1OC(F)F ZINC000020475445 175064494 /nfs/dbraw/zinc/06/44/94/175064494.db2.gz DDERGTQRHJFPCR-UHFFFAOYSA-N -1 0 218.155 1.995 50 0 BDAARM COc1ccc(C2=NO[C@](C)(C(=O)[O-])C2)cc1 ZINC000004512134 175085383 /nfs/dbraw/zinc/08/53/83/175085383.db2.gz JOOJUIXBGNUDBN-LBPRGKRZSA-N -1 0 235.239 1.663 50 0 BDAARM COc1ccc(F)c(-c2cnc(C(=O)[O-])cn2)c1 ZINC000215294080 175124160 /nfs/dbraw/zinc/12/41/60/175124160.db2.gz MKUYAWILAHWUFZ-UHFFFAOYSA-N -1 0 248.213 1.990 50 0 BDAARM COc1ccc(N2C(=O)[N-]C(=O)C2=O)cc1 ZINC000004206217 175139583 /nfs/dbraw/zinc/13/95/83/175139583.db2.gz RHSZIUTWVPFPQV-UHFFFAOYSA-N -1 0 220.184 1.118 50 0 BDAARM COc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000065325 175141327 /nfs/dbraw/zinc/14/13/27/175141327.db2.gz SXTDOBIIAISFSI-UHFFFAOYSA-N -1 0 223.228 1.499 50 0 biogenic BDAARM COc1ccc([C@@H](O)CCC(=O)[O-])cc1 ZINC000000395692 175181043 /nfs/dbraw/zinc/18/10/43/175181043.db2.gz SRVHFMOPFVVMSB-JTQLQIEISA-N -1 0 210.229 1.593 50 0 BDAARM COc1ccc2c(CC(=O)[O-])cc(=O)oc2c1 ZINC000000056577 175205036 /nfs/dbraw/zinc/20/50/36/175205036.db2.gz ZEKAXIFHLIITGV-UHFFFAOYSA-N -1 0 234.207 1.429 50 0 biogenic,in-vitro BDAARM COc1ccc2c(c1)c(C(=O)[O-])cn2C ZINC000044068888 175218223 /nfs/dbraw/zinc/21/82/23/175218223.db2.gz NQAXCWZGYZFOGC-UHFFFAOYSA-N -1 0 205.213 1.885 50 0 BDAARM COc1ccc2c(c1)c(=O)cc(C)n2CC(=O)[O-] ZINC000026507888 175218310 /nfs/dbraw/zinc/21/83/10/175218310.db2.gz XJUAIFFBQDZMBE-UHFFFAOYSA-N -1 0 247.250 1.403 50 0 biogenic BDAARM COc1cccc(-c2n[nH]cc2C(=O)[O-])c1 ZINC000008700075 175232476 /nfs/dbraw/zinc/23/24/76/175232476.db2.gz VVUVPSNFYCNORL-UHFFFAOYSA-N -1 0 218.212 1.784 50 0 BDAARM COc1cccc(-c2nc(=O)s[n-]2)c1 ZINC000040449899 175238623 /nfs/dbraw/zinc/23/86/23/175238623.db2.gz QHCCNMNIRJMUAS-UHFFFAOYSA-N -1 0 208.242 1.507 50 0 BDAARM COc1cccc(CN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000008016235 175261687 /nfs/dbraw/zinc/26/16/87/175261687.db2.gz JFCMWRAGMBVEOV-SNVBAGLBSA-N -1 0 249.266 1.128 50 0 BDAARM COc1cccc(N2CC[C@@H](C(=O)[O-])C2=O)c1 ZINC000011890977 175275312 /nfs/dbraw/zinc/27/53/12/175275312.db2.gz UAQMHMKPYXUWLH-SNVBAGLBSA-N -1 0 235.239 1.133 50 0 BDAARM COc1cccc(OCn2ccc(C(=O)[O-])n2)c1 ZINC000002535560 175284206 /nfs/dbraw/zinc/28/42/06/175284206.db2.gz HZODFAGBMBZDPQ-UHFFFAOYSA-N -1 0 248.238 1.626 50 0 BDAARM COc1ccccc1-c1cc(C(=O)[O-])nn1C ZINC000045930392 175307907 /nfs/dbraw/zinc/30/79/07/175307907.db2.gz DVPDBXQACCBVAS-UHFFFAOYSA-N -1 0 232.239 1.794 50 0 BDAARM CSCC[C@H](C(=O)[O-])n1c[n+]([O-])c(C)c1C ZINC000002074701 175505116 /nfs/dbraw/zinc/50/51/16/175505116.db2.gz VSFLHMWGTMRKNN-SECBINFHSA-N -1 0 244.316 1.117 50 0 BDAARM C[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000033433467 175823588 /nfs/dbraw/zinc/82/35/88/175823588.db2.gz JDZJPBGMOPJBQP-UFGYOYAJSA-N -1 0 219.240 1.289 50 0 BDAARM C[C@@H](OCOCC[Si](C)(C)C)C(=O)[O-] ZINC000195998655 176002475 /nfs/dbraw/zinc/00/24/75/176002475.db2.gz KNYIOTKZTBKTMT-MRVPVSSYSA-N -1 0 220.341 1.788 50 0 BDAARM C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C(=O)[O-] ZINC000004661272 176078374 /nfs/dbraw/zinc/07/83/74/176078374.db2.gz WHXVOGJPORPGRD-BXELRRQVSA-N -1 0 211.261 1.322 50 0 BDAARM C[C@@H]1CCC[C@H](C(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000237599133 176135170 /nfs/dbraw/zinc/13/51/70/176135170.db2.gz ASEOQNVPPKXIDV-ZJUUUORDSA-N -1 0 239.315 1.888 50 0 BDAARM C[C@@H]1CCC[C@H](NC(=O)COCC(=O)[O-])[C@@H]1C ZINC000004784731 176141548 /nfs/dbraw/zinc/14/15/48/176141548.db2.gz KXZFPZXUSZQUTH-BBBLOLIVSA-N -1 0 243.303 1.029 50 0 BDAARM C[C@@H]1CN(CC(=O)[O-])[C@H](c2ccccc2)CO1 ZINC000253433417 176284937 /nfs/dbraw/zinc/28/49/37/176284937.db2.gz WQJNHAJSBOGWED-PWSUYJOCSA-N -1 0 235.283 1.533 50 0 BDAARM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC000020283516 176303085 /nfs/dbraw/zinc/30/30/85/176303085.db2.gz VOQFHFKQLBBNMR-SNVBAGLBSA-N -1 0 235.283 1.606 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166524 176387268 /nfs/dbraw/zinc/38/72/68/176387268.db2.gz DZLLPMGZWXRTEN-XCBNKYQSSA-N -1 0 219.240 1.979 50 0 BDAARM C[C@@]1(C(=O)[O-])CC(c2ccccc2F)=NO1 ZINC000004512124 176527642 /nfs/dbraw/zinc/52/76/42/176527642.db2.gz FALZLFVZKITYQX-NSHDSACASA-N -1 0 223.203 1.793 50 0 BDAARM C[C@H](C(=O)[O-])N(C)C(=O)Cc1ccsc1 ZINC000054051279 176581960 /nfs/dbraw/zinc/58/19/60/176581960.db2.gz JFUJAEHKHSMKJJ-SSDOTTSWSA-N -1 0 227.285 1.222 50 0 BDAARM C[C@H](CN(C(=O)C1CCC1)C1CC1)C(=O)[O-] ZINC000097231846 176647726 /nfs/dbraw/zinc/64/77/26/176647726.db2.gz ZVMUPWUWWIALSW-MRVPVSSYSA-N -1 0 225.288 1.498 50 0 BDAARM C[C@H]1C[C@H](C)CN(C(=O)NCCC(=O)[O-])C1 ZINC000020426222 177357699 /nfs/dbraw/zinc/35/76/99/177357699.db2.gz KDMRNWXBDHHHDJ-IUCAKERBSA-N -1 0 228.292 1.149 50 0 BDAARM C[C@H]1Cc2ccccc2N1C(=O)C(=O)[O-] ZINC000019093106 177389434 /nfs/dbraw/zinc/38/94/34/177389434.db2.gz JGESGOYJOOYVIT-ZETCQYMHSA-N -1 0 205.213 1.049 50 0 BDAARM C[C@H]1Cc2cccc3c2n1cc(C(=O)[O-])c3=O ZINC000020156519 177389947 /nfs/dbraw/zinc/38/99/47/177389947.db2.gz WTGRJHKPPOBGIZ-ZETCQYMHSA-N -1 0 229.235 1.817 50 0 biogenic BDAARM O=C([N-][C@@H]1CCCCC1=O)C(F)(F)F ZINC000253179926 487856825 /nfs/dbraw/zinc/85/68/25/487856825.db2.gz CKJGDJAUGAQYLT-RXMQYKEDSA-N -1 0 209.167 1.177 50 0 BDAARM O=C([O-])CCSc1nnc(-c2ccco2)o1 ZINC000008362655 487538239 /nfs/dbraw/zinc/53/82/39/487538239.db2.gz WSAWRDUGLYWWQU-UHFFFAOYSA-N -1 0 240.240 1.896 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC000085006804 488122689 /nfs/dbraw/zinc/12/26/89/488122689.db2.gz LVABXIFXTDAADH-HTQZYQBOSA-N -1 0 223.228 1.263 50 0 BDAARM O=C([O-])CC(=O)Cc1nc2ccccc2s1 ZINC000016739577 488126622 /nfs/dbraw/zinc/12/66/22/488126622.db2.gz IFTCUAKGYOVLHH-UHFFFAOYSA-N -1 0 235.264 1.883 50 0 BDAARM Cc1cc2c(cc1CN1CC[C@@H]1C(=O)[O-])OCO2 ZINC000244718999 525605292 /nfs/dbraw/zinc/60/52/92/525605292.db2.gz LUUGWUBKSQWIKW-SNVBAGLBSA-N -1 0 249.266 1.383 50 0 BDAARM CC(=O)CCc1ccc(OCC(=O)[O-])cc1 ZINC000022142663 526425636 /nfs/dbraw/zinc/42/56/36/526425636.db2.gz BYUZYVCTSSHDHC-UHFFFAOYSA-N -1 0 222.240 1.672 50 0 BDAARM O=C([O-])C1(C(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000154972922 527552619 /nfs/dbraw/zinc/55/26/19/527552619.db2.gz DQDIMSKNJXFVRP-UWVGGRQHSA-N -1 0 237.299 1.500 50 0 BDAARM CCOc1ccc([S@@](=O)[O-])cc1C ZINC000082531364 566410008 /nfs/dbraw/zinc/41/00/08/566410008.db2.gz YLGCSDNOKGMVMI-UHFFFAOYSA-N -1 0 200.259 1.974 50 0 BDAARM Cc1occc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000094290832 566456382 /nfs/dbraw/zinc/45/63/82/566456382.db2.gz GAJQKMRLFFNDGR-UHFFFAOYSA-N -1 0 237.255 1.715 50 0 BDAARM Cc1occc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000022143636 582459948 /nfs/dbraw/zinc/45/99/48/582459948.db2.gz BEGSDUDKWCWBQG-JTQLQIEISA-N -1 0 237.255 1.667 50 0 BDAARM O=C([O-])c1nccc(-c2ccccc2)n1 ZINC000075601468 585174593 /nfs/dbraw/zinc/17/45/93/585174593.db2.gz OKGSNIRNGQVKJO-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM CCO[P@](=O)([O-])COc1ccccc1O ZINC000003683984 633075537 /nfs/dbraw/zinc/07/55/37/633075537.db2.gz OJXYDMCZTIEQHS-UHFFFAOYSA-N -1 0 232.172 1.950 50 0 BDAARM CC[C@@H](CCC[C@@H]1CCNC(=O)N1)CC(=O)[O-] ZINC000000199467 642751582 /nfs/dbraw/zinc/75/15/82/642751582.db2.gz HHANQANOVUZMLJ-VHSXEESVSA-N -1 0 242.319 1.729 50 0 BDAARM O=C([O-])c1nc(C(F)(F)F)n2ccncc12 ZINC000084326741 643554291 /nfs/dbraw/zinc/55/42/91/643554291.db2.gz LPMIFKKHKYRPNV-UHFFFAOYSA-N -1 0 231.133 1.446 50 0 BDAARM Cc1ncc(C(C)C)c(NCc2n[nH]c(=O)[n-]2)n1 ZINC000952979881 644449842 /nfs/dbraw/zinc/44/98/42/644449842.db2.gz PTUQPIPVPWMSMX-UHFFFAOYSA-N -1 0 248.290 1.344 50 0 BDAARM CCCc1nnn(Cc2ccc(C(=O)[O-])cc2)n1 ZINC000952879985 974054607 /nfs/dbraw/zinc/05/46/07/974054607.db2.gz BAGUSTCZQXIMTR-UHFFFAOYSA-N -1 0 246.270 1.372 50 0 BDAARM Cc1cc(F)cc(-n2cc(C(=O)[O-])nn2)c1 ZINC000085731493 178075523 /nfs/dbraw/zinc/07/55/23/178075523.db2.gz GPFSEEDIHPNMTR-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM Cc1cc(NC(=O)C[C@H](C)CC(=O)[O-])no1 ZINC000000100904 178134091 /nfs/dbraw/zinc/13/40/91/178134091.db2.gz GUPVSSZMOKLSBL-LURJTMIESA-N -1 0 226.232 1.422 50 0 BDAARM CC(C)Cn1nccc1[C@@H]1C[C@@H]1C(=O)[O-] ZINC000242592339 187330020 /nfs/dbraw/zinc/33/00/20/187330020.db2.gz OQGPGARFOAFOPW-BDAKNGLRSA-N -1 0 208.261 1.727 50 0 BDAARM Cc1cc(OCC(=O)[O-])ccc1[S@](C)=O ZINC000000340919 178209645 /nfs/dbraw/zinc/20/96/45/178209645.db2.gz GFZRDXSZLLWNGS-OAHLLOKOSA-N -1 0 228.269 1.196 50 0 BDAARM Cc1cc(S(=O)(=O)[O-])c(N)cc1Cl ZINC000001690009 178216777 /nfs/dbraw/zinc/21/67/77/178216777.db2.gz VRLPHBSFRWMMPW-UHFFFAOYSA-N -1 0 221.665 1.477 50 0 BDAARM C[C@H](CCc1cccc(F)c1)NC(=O)C(=O)[O-] ZINC000170596116 361774208 /nfs/dbraw/zinc/77/42/08/361774208.db2.gz WFOXWMOXISMPPK-MRVPVSSYSA-N -1 0 239.246 1.348 50 0 BDAARM Cc1cc2nc(C(F)(F)F)cc(=O)n2[n-]1 ZINC000002743695 178300129 /nfs/dbraw/zinc/30/01/29/178300129.db2.gz SLPPRRBAQWSLEO-UHFFFAOYSA-N -1 0 217.150 1.762 50 0 BDAARM Cc1cc2nc(CCC(=O)[O-])c(=O)[nH]c2cc1C ZINC000008653637 178301623 /nfs/dbraw/zinc/30/16/23/178301623.db2.gz ZVYRHSRZFWTQII-UHFFFAOYSA-N -1 0 246.266 1.557 50 0 BDAARM Cc1ccc(-n2nccn2)c(C(=O)[O-])c1 ZINC000091297589 178349728 /nfs/dbraw/zinc/34/97/28/178349728.db2.gz SRBAGFIYKNQXDV-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC000022219346 178390491 /nfs/dbraw/zinc/39/04/91/178390491.db2.gz AUWKHJYYHBRALA-JTQLQIEISA-N -1 0 234.255 1.079 50 0 BDAARM COC([O-])=NC(=O)c1ccc(Cl)cc1 ZINC000000108048 342674780 /nfs/dbraw/zinc/67/47/80/342674780.db2.gz CCDRZBQULBSJLQ-UHFFFAOYSA-N -1 0 213.620 1.836 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000000198035 342679931 /nfs/dbraw/zinc/67/99/31/342679931.db2.gz ACCRKQWGKXZJPM-SSDOTTSWSA-N -1 0 239.658 1.778 50 0 BDAARM Cc1cccc([C@@H]2N[C@H](C(=O)[O-])CS2)c1 ZINC000000240229 342681150 /nfs/dbraw/zinc/68/11/50/342681150.db2.gz DGIGORABYWFPSU-VHSXEESVSA-N -1 0 223.297 1.783 50 0 BDAARM CCOc1ccccc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000266699 342681531 /nfs/dbraw/zinc/68/15/31/342681531.db2.gz OBDVPBLMUOHJQO-VIFPVBQESA-N -1 0 249.266 1.523 50 0 BDAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)[O-])cc1 ZINC000000266798 342681653 /nfs/dbraw/zinc/68/16/53/342681653.db2.gz OJKNXYHTQNXSEG-LLVKDONJSA-N -1 0 233.267 1.571 50 0 BDAARM Nc1ccc(C(=O)[O-])c(NC(=O)c2ccco2)c1 ZINC000000306968 342682871 /nfs/dbraw/zinc/68/28/71/342682871.db2.gz UPOPAKLYGGNQTK-UHFFFAOYSA-N -1 0 246.222 1.812 50 0 BDAARM NNc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000000317946 342683328 /nfs/dbraw/zinc/68/33/28/342683328.db2.gz JWZBLYCUKDQOJD-UHFFFAOYSA-N -1 0 218.212 1.529 50 0 BDAARM CC(C)(C)c1nnc([N-]S(C)(=O)=O)s1 ZINC000000378597 342685468 /nfs/dbraw/zinc/68/54/68/342685468.db2.gz NCBLCJQKVIJEEZ-UHFFFAOYSA-N -1 0 235.334 1.207 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000000477262 342688534 /nfs/dbraw/zinc/68/85/34/342688534.db2.gz MCMRHIIVSHWBEA-JTQLQIEISA-N -1 0 240.303 1.578 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccc(F)cc1 ZINC000000053889 342671646 /nfs/dbraw/zinc/67/16/46/342671646.db2.gz NRDZVHHPNZDWRA-AATRIKPKSA-N -1 0 209.176 1.405 50 0 BDAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC1 ZINC000000057562 342672159 /nfs/dbraw/zinc/67/21/59/342672159.db2.gz JWOHBPPVVDQMKB-UHFFFAOYSA-N -1 0 229.276 1.718 50 0 BDAARM CCSc1ncc(Cl)c(C(=O)[O-])n1 ZINC000002346104 342718881 /nfs/dbraw/zinc/71/88/81/342718881.db2.gz QVLLQQCIXDDUBY-UHFFFAOYSA-N -1 0 218.665 1.940 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1CC1 ZINC000001456922 342701522 /nfs/dbraw/zinc/70/15/22/342701522.db2.gz NESTZIIAJPVBHN-BDAKNGLRSA-N -1 0 211.261 1.156 50 0 BDAARM Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1 ZINC000001680646 342708791 /nfs/dbraw/zinc/70/87/91/342708791.db2.gz SEMRCUIXRUXGJX-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 in-vitro BDAARM O=S(=O)([O-])c1ccc(O)c2ccccc21 ZINC000001700071 342709988 /nfs/dbraw/zinc/70/99/88/342709988.db2.gz HGWQOFDAUWCQDA-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM Cc1c(Br)c(C(=O)[O-])nn1C ZINC000002389266 342719860 /nfs/dbraw/zinc/71/98/60/342719860.db2.gz HYGZWJRDMQFLCD-UHFFFAOYSA-N -1 0 219.038 1.189 50 0 BDAARM O=C([O-])c1ccc(CN2CCCC2=O)cc1 ZINC000004206126 342744190 /nfs/dbraw/zinc/74/41/90/342744190.db2.gz MXSDEKJNUFFBSR-UHFFFAOYSA-N -1 0 219.240 1.507 50 0 BDAARM CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)[O-])C1 ZINC000004290100 342746018 /nfs/dbraw/zinc/74/60/18/342746018.db2.gz VJGKMSGPYQNGGK-SSDOTTSWSA-N -1 0 247.316 1.424 50 0 BDAARM O=C([O-])[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000004505134 342748205 /nfs/dbraw/zinc/74/82/05/342748205.db2.gz FFHKAMWMJDAWMZ-SECBINFHSA-N -1 0 225.631 1.918 50 0 BDAARM O=C([O-])C1=NC(=O)N[C@@H](c2ccc(F)cc2)C1 ZINC000004502380 342748245 /nfs/dbraw/zinc/74/82/45/342748245.db2.gz DPMWQYJWPHGZOF-MRVPVSSYSA-N -1 0 236.202 1.148 50 0 BDAARM CCC1CCC(C(=O)NCC(=O)[O-])CC1 ZINC000004550502 342749099 /nfs/dbraw/zinc/74/90/99/342749099.db2.gz XHYGHVXHVNJCML-UHFFFAOYSA-N -1 0 213.277 1.404 50 0 BDAARM [NH3+][C@@H](CC(=O)[O-])c1c(F)cccc1F ZINC000002511677 342721823 /nfs/dbraw/zinc/72/18/23/342721823.db2.gz AGYPPOKFXIOJTJ-ZETCQYMHSA-N -1 0 201.172 1.439 50 0 BDAARM O=C([O-])c1ccn(COc2ccc(F)cc2)n1 ZINC000002535567 342723170 /nfs/dbraw/zinc/72/31/70/342723170.db2.gz BFCURUQFSQIRID-UHFFFAOYSA-N -1 0 236.202 1.757 50 0 BDAARM O=C([O-])[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000002560487 342724338 /nfs/dbraw/zinc/72/43/38/342724338.db2.gz WECBNRQPNXNRSJ-ZETCQYMHSA-N -1 0 220.146 1.823 50 0 BDAARM O=C([O-])c1nc(N2CCCC2)ncc1Cl ZINC000003175686 342731268 /nfs/dbraw/zinc/73/12/68/342731268.db2.gz QSLMZZIXTMLEFO-UHFFFAOYSA-N -1 0 227.651 1.428 50 0 BDAARM Cc1ccc(N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000003865884 342738441 /nfs/dbraw/zinc/73/84/41/342738441.db2.gz KAWARGVFKZRXJI-SECBINFHSA-N -1 0 222.269 1.716 50 0 BDAARM Cc1cc(C)n(Cc2c(C)onc2C(=O)[O-])n1 ZINC000004992764 342755957 /nfs/dbraw/zinc/75/59/57/342755957.db2.gz PUKLVRTZTBLAMZ-UHFFFAOYSA-N -1 0 235.243 1.543 50 0 BDAARM COc1ccc(Cc2n[n-]c(=S)o2)cc1 ZINC000005484088 342764932 /nfs/dbraw/zinc/76/49/32/342764932.db2.gz ICAZBRUDKZCQHF-UHFFFAOYSA-N -1 0 222.269 1.958 50 0 BDAARM O=C([O-])c1ncccc1I ZINC000005944065 342771840 /nfs/dbraw/zinc/77/18/40/342771840.db2.gz NBPSOUHMLHTKID-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM O=C([O-])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000035320571 342774581 /nfs/dbraw/zinc/77/45/81/342774581.db2.gz RNFGKUDJEFWDAG-UHFFFAOYSA-N -1 0 223.272 1.156 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000006224565 342775217 /nfs/dbraw/zinc/77/52/17/342775217.db2.gz XZCPPUWLPIPNED-SSDOTTSWSA-N -1 0 241.193 1.402 50 0 BDAARM CC[C@@H](Nc1cccc(OC)c1)C(=O)[O-] ZINC000008702739 342802855 /nfs/dbraw/zinc/80/28/55/342802855.db2.gz NSMXPZXYOOPULG-SNVBAGLBSA-N -1 0 209.245 1.970 50 0 BDAARM CC[C@@H](Sc1ncnc2[nH]cnc21)C(=O)[O-] ZINC000005349664 342789421 /nfs/dbraw/zinc/78/94/21/342789421.db2.gz BCTOBILDXLCSIP-RXMQYKEDSA-N -1 0 238.272 1.308 50 0 BDAARM O=C([O-])c1cncc(-c2cccnc2)c1 ZINC000008419477 342798976 /nfs/dbraw/zinc/79/89/76/342798976.db2.gz BDYBZQYAJHFPGM-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM Cc1ccc(C)c(NC(=O)CC(=O)[O-])c1 ZINC000009355877 342814076 /nfs/dbraw/zinc/81/40/76/342814076.db2.gz WMDHWBXNSRIBCJ-UHFFFAOYSA-N -1 0 207.229 1.717 50 0 BDAARM O=C([O-])c1cccc(OCC(=O)N2CCCC2)c1 ZINC000009879519 342829115 /nfs/dbraw/zinc/82/91/15/342829115.db2.gz IDRPAQYBUPWQTD-UHFFFAOYSA-N -1 0 249.266 1.386 50 0 BDAARM O=C([O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000011730082 342842798 /nfs/dbraw/zinc/84/27/98/342842798.db2.gz WVABYIKIASMFFY-UHFFFAOYSA-N -1 0 205.213 1.660 50 0 BDAARM Cc1ccc(C)n1-c1c(C(=O)[O-])cnn1C ZINC000011850969 342843738 /nfs/dbraw/zinc/84/37/38/342843738.db2.gz KRNXOJQIIODTAI-UHFFFAOYSA-N -1 0 219.244 1.526 50 0 BDAARM COc1cc(C(=O)[O-])cc2c1OCCCO2 ZINC000012243712 342848441 /nfs/dbraw/zinc/84/84/41/342848441.db2.gz ZAZLFNRQAZQDSH-UHFFFAOYSA-N -1 0 224.212 1.555 50 0 BDAARM O=C([O-])c1nc2nccc(-c3ccco3)n2n1 ZINC000012396954 342851293 /nfs/dbraw/zinc/85/12/93/342851293.db2.gz GBBYJVJLADFOAT-UHFFFAOYSA-N -1 0 230.183 1.083 50 0 BDAARM CC(C)(C)OC(=O)NC12CC(C(=O)[O-])(C1)CC2 ZINC000012506814 342852958 /nfs/dbraw/zinc/85/29/58/342852958.db2.gz OLKBFKZGMNENLF-UHFFFAOYSA-N -1 0 241.287 1.909 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccc(OC)cc1 ZINC000011888054 342844034 /nfs/dbraw/zinc/84/40/34/342844034.db2.gz UJNVSLSAEBHMLB-UHFFFAOYSA-N -1 0 247.254 1.537 50 0 BDAARM O=C([O-])c1cccc(Nc2ncccn2)c1 ZINC000013536172 342867655 /nfs/dbraw/zinc/86/76/55/342867655.db2.gz JCCQTGJTDPBYJP-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM COc1cccc(NC(=O)CC(=O)[O-])c1 ZINC000013945066 342874530 /nfs/dbraw/zinc/87/45/30/342874530.db2.gz KSCPJRGNFDIBDR-UHFFFAOYSA-N -1 0 209.201 1.108 50 0 BDAARM CN1c2ccccc2[C@H](CCC(=O)[O-])C1=O ZINC000014987866 342890408 /nfs/dbraw/zinc/89/04/08/342890408.db2.gz ULKLMTQSFXIIOR-VIFPVBQESA-N -1 0 219.240 1.611 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)c2cc(F)ccc2O1 ZINC000016159371 342907317 /nfs/dbraw/zinc/90/73/17/342907317.db2.gz BWXXHZKFLLLJQP-VIFPVBQESA-N -1 0 210.160 1.244 50 0 in-vitro BDAARM Cc1nc([N-]c2nc(C)cc(C)n2)n[nH]1 ZINC000018244288 342935555 /nfs/dbraw/zinc/93/55/55/342935555.db2.gz ADAWETSAVXSBNR-UHFFFAOYSA-N -1 0 204.237 1.264 50 0 BDAARM C[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000005156216 398338427 /nfs/dbraw/zinc/33/84/27/398338427.db2.gz WPDVZLRFHGYRGS-IUCAKERBSA-N -1 0 236.271 1.520 50 0 BDAARM CN1c2ccccc2[C@H](CC(=O)[O-])C1=O ZINC000019088492 342941321 /nfs/dbraw/zinc/94/13/21/342941321.db2.gz BAUWIAWMJHZMIV-QMMMGPOBSA-N -1 0 205.213 1.221 50 0 BDAARM Cc1cccc2[nH]c(COCC(=O)[O-])nc21 ZINC000019089149 342941404 /nfs/dbraw/zinc/94/14/04/342941404.db2.gz JELKTODSTLXDEE-UHFFFAOYSA-N -1 0 220.228 1.473 50 0 BDAARM O=C([O-])c1cc(=O)c2cccc(F)c2[nH]1 ZINC000019427123 342948604 /nfs/dbraw/zinc/94/86/04/342948604.db2.gz ZDDWWYQQPBCMQS-UHFFFAOYSA-N -1 0 207.160 1.365 50 0 BDAARM O=C([O-])[C@@H]1CSC(c2ccncc2)=N1 ZINC000019735675 342955345 /nfs/dbraw/zinc/95/53/45/342955345.db2.gz RXOSZQRLNYGARB-ZETCQYMHSA-N -1 0 208.242 1.028 50 0 BDAARM O=C([O-])c1ccnc(NC[C@@H]2CCCO2)c1 ZINC000019845275 342959860 /nfs/dbraw/zinc/95/98/60/342959860.db2.gz CRDJTFDOELBGNW-VIFPVBQESA-N -1 0 222.244 1.371 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000020284864 342980672 /nfs/dbraw/zinc/98/06/72/342980672.db2.gz ZNIKCBOCEIJMLK-MRVPVSSYSA-N -1 0 223.228 1.359 50 0 BDAARM CN(CC(=O)[O-])C(=O)c1ccc2ccccc2c1 ZINC000013822453 343105133 /nfs/dbraw/zinc/10/51/33/343105133.db2.gz FZXHUEVCBVDVGG-UHFFFAOYSA-N -1 0 243.262 1.996 50 0 BDAARM CCOc1ccc(F)cc1[C@H]1OC(=O)[N-]C1=O ZINC000027876910 343125293 /nfs/dbraw/zinc/12/52/93/343125293.db2.gz WMYCHCQVNMDKRL-SECBINFHSA-N -1 0 239.202 1.532 50 0 BDAARM O=C([O-])c1ccccc1C(=O)Nc1nncs1 ZINC000000039981 343138719 /nfs/dbraw/zinc/13/87/19/343138719.db2.gz IOENMCHKIDYJRV-UHFFFAOYSA-N -1 0 249.251 1.489 50 0 BDAARM CC(=O)N[C@H](CCc1ccccc1)C(=O)[O-] ZINC000000135380 187244388 /nfs/dbraw/zinc/24/43/88/187244388.db2.gz CNQZAOFOKXXEOB-LLVKDONJSA-N -1 0 221.256 1.209 50 0 BDAARM COc1ccc(Cl)cc1NC(=O)C(=O)[O-] ZINC000003004820 187246067 /nfs/dbraw/zinc/24/60/67/187246067.db2.gz QMLKYGBXGRAIKU-UHFFFAOYSA-N -1 0 229.619 1.372 50 0 BDAARM CCc1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004670137 187246574 /nfs/dbraw/zinc/24/65/74/187246574.db2.gz GYUHORVVZJAIKQ-FPLPWBNLSA-N -1 0 219.240 1.828 50 0 BDAARM Cc1nn(C)c(C)c1-c1cc(C(=O)[O-])n[nH]1 ZINC000004386667 187246734 /nfs/dbraw/zinc/24/67/34/187246734.db2.gz VVLHPIDKUGTZRK-UHFFFAOYSA-N -1 0 220.232 1.125 50 0 BDAARM CC(C)(C)c1cc(C(=O)[O-])nc2ncnn21 ZINC000004975446 187248023 /nfs/dbraw/zinc/24/80/23/187248023.db2.gz PRAOSNPWIAYNEB-UHFFFAOYSA-N -1 0 220.232 1.120 50 0 BDAARM CC(C)(C)C(=O)Nc1nc(=S)ss1 ZINC000008671159 187248539 /nfs/dbraw/zinc/24/85/39/187248539.db2.gz RUJUORNLIBPCLD-UHFFFAOYSA-N -1 0 234.371 1.967 50 0 BDAARM Cc1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000000732355 187244892 /nfs/dbraw/zinc/24/48/92/187244892.db2.gz CLWQEWCCJFUHNV-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM O=C([O-])c1nnc(-c2ccc(F)cc2)o1 ZINC000032011916 343228180 /nfs/dbraw/zinc/22/81/80/343228180.db2.gz ATRZEFITCDULRJ-UHFFFAOYSA-N -1 0 208.148 1.574 50 0 BDAARM CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000012647889 187250917 /nfs/dbraw/zinc/25/09/17/187250917.db2.gz JBAVOCOOEULXTJ-SNVBAGLBSA-N -1 0 241.674 1.992 50 0 BDAARM O=C([O-])/C=C/C(=O)NCc1ccccc1Cl ZINC000009259497 187249272 /nfs/dbraw/zinc/24/92/72/187249272.db2.gz BRAVTRZYPNRJQI-AATRIKPKSA-N -1 0 239.658 1.597 50 0 BDAARM O=C([O-])Cn1ccnc1[C@H](O)c1ccccc1 ZINC000022204008 343271842 /nfs/dbraw/zinc/27/18/42/343271842.db2.gz GLUOIBYUJXHDCR-LLVKDONJSA-N -1 0 232.239 1.049 50 0 BDAARM O=S(=O)(c1ccccc1[O-])C(F)(F)F ZINC000034732175 343277921 /nfs/dbraw/zinc/27/79/21/343277921.db2.gz XQJFFCCRZYJAKT-UHFFFAOYSA-N -1 0 226.175 1.686 50 0 BDAARM CCSc1nc(O)c(CC(=O)[O-])s1 ZINC000034927044 343280794 /nfs/dbraw/zinc/28/07/94/343280794.db2.gz YTOGGNPWISOTTN-BYPYZUCNSA-N -1 0 219.287 1.212 50 0 BDAARM Cc1nc(CCC(=O)[O-])n(-c2cccc(F)c2)n1 ZINC000034927185 343280912 /nfs/dbraw/zinc/28/09/12/343280912.db2.gz ZPSCWQLDLBCAMU-UHFFFAOYSA-N -1 0 249.245 1.732 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccccc1 ZINC000036532834 343320012 /nfs/dbraw/zinc/32/00/12/343320012.db2.gz FUWHNFZMBCQYGY-UWVGGRQHSA-N -1 0 219.240 1.024 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1OCC(F)(F)F ZINC000037864526 343358792 /nfs/dbraw/zinc/35/87/92/343358792.db2.gz VUNBQAMLJWERBW-UHFFFAOYSA-N -1 0 235.161 1.908 50 0 BDAARM COc1ccc([C@H](O)[C@H](C)C(=O)[O-])cc1 ZINC000034410546 187257095 /nfs/dbraw/zinc/25/70/95/187257095.db2.gz YNFBEQICUMUBDQ-OIBJUYFYSA-N -1 0 210.229 1.449 50 0 BDAARM CC(C)[C@H](C)C(=O)NC(C)(C)C(=O)[O-] ZINC000069685059 187258271 /nfs/dbraw/zinc/25/82/71/187258271.db2.gz BWNHUHDNMWCNQW-ZETCQYMHSA-N -1 0 201.266 1.258 50 0 BDAARM COc1cc(Br)cc(C(=O)[O-])c1N ZINC000035635946 187258384 /nfs/dbraw/zinc/25/83/84/187258384.db2.gz YSBGYQUUOKRQAT-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM Nc1ccn(Cc2ccc(C(=O)[O-])s2)n1 ZINC000047474154 343562432 /nfs/dbraw/zinc/56/24/32/343562432.db2.gz WPVCYYNKQNTQKQ-UHFFFAOYSA-N -1 0 223.257 1.273 50 0 BDAARM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[S-] ZINC000220133782 344050176 /nfs/dbraw/zinc/05/01/76/344050176.db2.gz GCRSLQLXQJMUGN-SSDOTTSWSA-N -1 0 233.333 1.992 50 0 BDAARM C=C1c2ccccc2C(=O)N1CC(=O)[N-]OCC ZINC000095348577 187286582 /nfs/dbraw/zinc/28/65/82/187286582.db2.gz ZBFKOJYQHOUJDE-UHFFFAOYSA-N -1 0 246.266 1.181 50 0 BDAARM O=C([O-])[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccc(F)cc1 ZINC000247367410 344123160 /nfs/dbraw/zinc/12/31/60/344123160.db2.gz GDVQTWSMSQVCRX-LSJOCFKGSA-N -1 0 249.241 1.371 50 0 BDAARM CC(C)c1ncc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC000585134467 344146930 /nfs/dbraw/zinc/14/69/30/344146930.db2.gz VEKTZOFDSVORNP-RKDXNWHRSA-N -1 0 249.270 1.259 50 0 BDAARM O=S(=O)([O-])c1ccc(-n2cccn2)cc1 ZINC000096334521 187288923 /nfs/dbraw/zinc/28/89/23/187288923.db2.gz WBRLZNMOGQIRLT-UHFFFAOYSA-N -1 0 224.241 1.119 50 0 BDAARM CC(C)[C@H]1C=CCN1C(=O)c1[nH]cnc1C(=O)[O-] ZINC000097272376 187289454 /nfs/dbraw/zinc/28/94/54/187289454.db2.gz HQGZBPIUIQIOMN-MRVPVSSYSA-N -1 0 249.270 1.145 50 0 BDAARM Cc1cc([N-]S(=O)(=O)CCC(C)C)no1 ZINC000072301871 344402522 /nfs/dbraw/zinc/40/25/22/344402522.db2.gz ZVZILYJWZPCVAE-UHFFFAOYSA-N -1 0 232.305 1.771 50 0 BDAARM COc1cc(C(=O)[O-])cc(OC)c1OC ZINC000000347833 344418129 /nfs/dbraw/zinc/41/81/29/344418129.db2.gz SJSOFNCYXJUNBT-UHFFFAOYSA-N -1 0 212.201 1.411 50 0 endogenous,in-man BDAARM Nc1ccc2nc(C(F)(F)F)[nH]c(=O)c2c1 ZINC000011848871 344446731 /nfs/dbraw/zinc/44/67/31/344446731.db2.gz XWMFTROGIQNEDD-UHFFFAOYSA-N -1 0 229.161 1.524 50 0 BDAARM Cc1ccc(Nc2nnc(C)c(=O)[n-]2)cc1O ZINC000011990578 345101187 /nfs/dbraw/zinc/10/11/87/345101187.db2.gz ZHZFLDPSDFKDNF-UHFFFAOYSA-N -1 0 232.243 1.231 50 0 BDAARM Cc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000022217303 179008589 /nfs/dbraw/zinc/00/85/89/179008589.db2.gz PJGJFHHPYYCMCU-JTQLQIEISA-N -1 0 248.282 1.327 50 0 BDAARM Cc1cccc(/C=C/C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000054310495 179002881 /nfs/dbraw/zinc/00/28/81/179002881.db2.gz LVPLENDHAUESBF-MLRMMBSGSA-N -1 0 247.294 1.845 50 0 BDAARM Cc1cccc(C(=O)NCCCC(=O)[O-])c1 ZINC000005754941 179016429 /nfs/dbraw/zinc/01/64/29/179016429.db2.gz NJZXFJSZADKBGZ-UHFFFAOYSA-N -1 0 221.256 1.590 50 0 BDAARM Cc1cccc(CC(=O)NC2(C(=O)[O-])CCC2)c1 ZINC000095967064 179052595 /nfs/dbraw/zinc/05/25/95/179052595.db2.gz OUHMVFXYOHXTFE-UHFFFAOYSA-N -1 0 247.294 1.661 50 0 BDAARM Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000037719158 179087109 /nfs/dbraw/zinc/08/71/09/179087109.db2.gz WLFVIHJSSHNUDX-MNOVXSKESA-N -1 0 233.267 1.332 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)N1CCCCCC1 ZINC000004700527 346607105 /nfs/dbraw/zinc/60/71/05/346607105.db2.gz IDOJCBYGDJZXFQ-JTQLQIEISA-N -1 0 227.304 1.890 50 0 BDAARM Cc1cccc(NC(=O)CCC(=O)[O-])n1 ZINC000000267105 179126803 /nfs/dbraw/zinc/12/68/03/179126803.db2.gz JYGKRAJXJGXBAK-UHFFFAOYSA-N -1 0 208.217 1.193 50 0 BDAARM CC(=O)Oc1ccc(NCC(=O)[O-])cc1 ZINC000005833404 346632523 /nfs/dbraw/zinc/63/25/23/346632523.db2.gz RTBPIHJOHSURGP-UHFFFAOYSA-N -1 0 209.201 1.108 50 0 BDAARM Cc1cccc2c1nc1[n-]c(NN)nnc2-1 ZINC000006557032 179225056 /nfs/dbraw/zinc/22/50/56/179225056.db2.gz IENCLQAXYAPTJO-UHFFFAOYSA-N -1 0 214.232 1.100 50 0 BDAARM Cc1ccccc1-n1ncc(C(=O)[O-])c1N ZINC000002522166 179242317 /nfs/dbraw/zinc/24/23/17/179242317.db2.gz DQZUVEPWUJIBIX-UHFFFAOYSA-N -1 0 217.228 1.461 50 0 BDAARM COCc1nsc(NC(=O)c2ccco2)n1 ZINC000195559815 347646615 /nfs/dbraw/zinc/64/66/15/347646615.db2.gz BWWPKOITXKEEFX-UHFFFAOYSA-N -1 0 239.256 1.530 50 0 BDAARM Cc1ccccc1OC(=O)CCC(=O)[O-] ZINC000000405832 179308382 /nfs/dbraw/zinc/30/83/82/179308382.db2.gz OUVCGXOAVPZUFP-UHFFFAOYSA-N -1 0 208.213 1.765 50 0 BDAARM C/C=C(/C)C(=O)N(CC)C[C@H](C)C(=O)[O-] ZINC000108462082 490141209 /nfs/dbraw/zinc/14/12/09/490141209.db2.gz UQHMDPIIQBTKPY-RDOCRHDPSA-N -1 0 213.277 1.522 50 0 BDAARM O=C([O-])c1ccc2nc(Cl)cc(=O)n2c1 ZINC000725245086 538000933 /nfs/dbraw/zinc/00/09/33/538000933.db2.gz PLCHDKDOYULZNX-UHFFFAOYSA-N -1 0 224.603 1.046 50 0 BDAARM Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000001555329 190971214 /nfs/dbraw/zinc/97/12/14/190971214.db2.gz NRZRRZAVMCAKEP-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 in-vitro BDAARM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000001433116 190971686 /nfs/dbraw/zinc/97/16/86/190971686.db2.gz RNJQBGXOSAQQDG-SFYZADRCSA-N -1 0 229.276 1.764 50 0 in-vitro BDAARM Cc1nc(NCC(=O)[O-])cc(-c2ccccc2)n1 ZINC000011770234 180016549 /nfs/dbraw/zinc/01/65/49/180016549.db2.gz SIATVDZRVWHJGH-UHFFFAOYSA-N -1 0 243.266 1.949 50 0 BDAARM Cc1nc2cc(CCC(=O)[O-])ccc2[nH]1 ZINC000006300060 180077149 /nfs/dbraw/zinc/07/71/49/180077149.db2.gz CGKMLHSGIAKKQH-UHFFFAOYSA-N -1 0 204.229 1.889 50 0 BDAARM CC(C)CNC(=O)Nc1ncc(C(=O)[O-])s1 ZINC000725256471 538058304 /nfs/dbraw/zinc/05/83/04/538058304.db2.gz ORQKFDMQCIPAPI-UHFFFAOYSA-N -1 0 243.288 1.619 50 0 BDAARM Cc1nccn1-c1cc(C(=O)[O-])ccn1 ZINC000019812860 180229139 /nfs/dbraw/zinc/22/91/39/180229139.db2.gz AEYOPLDMZVWEGY-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1nccn1-c1ccc(C(=O)[O-])cc1 ZINC000034792512 180229282 /nfs/dbraw/zinc/22/92/82/180229282.db2.gz MESQWWFGNOQOMI-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM COCC1(NC(=O)CCCC(=O)[O-])CCCC1 ZINC000426573004 191097275 /nfs/dbraw/zinc/09/72/75/191097275.db2.gz DKMAJRGITOGFOJ-UHFFFAOYSA-N -1 0 243.303 1.317 50 0 BDAARM O=C([O-])c1cnc2oc(C3CC3)nc2c1 ZINC000040449313 350365015 /nfs/dbraw/zinc/36/50/15/350365015.db2.gz JWSDBOCVPPTPCH-UHFFFAOYSA-N -1 0 204.185 1.798 50 0 BDAARM Cc1nn(CCC(=O)[O-])c2c1[C@@H]1[C@H](C2)C1(C)C ZINC000000195115 180387572 /nfs/dbraw/zinc/38/75/72/180387572.db2.gz DTKIYBONEQLVAK-UFBFGSQYSA-N -1 0 234.299 1.962 50 0 BDAARM Cc1occc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000069837801 180538050 /nfs/dbraw/zinc/53/80/50/180538050.db2.gz NFCOUDRWXAPQSU-SSDOTTSWSA-N -1 0 225.244 1.571 50 0 BDAARM Cc1occc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000021953836 180538475 /nfs/dbraw/zinc/53/84/75/180538475.db2.gz TWCNEXOCYFSOPK-VIFPVBQESA-N -1 0 225.244 1.427 50 0 BDAARM O=C([O-])c1nn2c(c1Br)CCC2 ZINC000211094788 351047414 /nfs/dbraw/zinc/04/74/14/351047414.db2.gz LHUULALZSVGSSJ-UHFFFAOYSA-N -1 0 231.049 1.290 50 0 BDAARM CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCO2 ZINC000038015952 351275782 /nfs/dbraw/zinc/27/57/82/351275782.db2.gz QDOGKBPPDRNELT-UHFFFAOYSA-N -1 0 249.266 1.168 50 0 BDAARM Nc1ccc(-c2ccc(C(=O)[O-])o2)cn1 ZINC000034924650 351347521 /nfs/dbraw/zinc/34/75/21/351347521.db2.gz KXSSWHSWBXVNQA-UHFFFAOYSA-N -1 0 204.185 1.622 50 0 BDAARM Cn1nc(CC(=O)[O-])cc1C(F)(F)F ZINC000072209574 180804703 /nfs/dbraw/zinc/80/47/03/180804703.db2.gz WVMGROBMQQTIMY-UHFFFAOYSA-N -1 0 208.139 1.066 50 0 BDAARM CCCCCC[C@H](NC(C)=O)C(=O)[O-] ZINC000001570980 168679362 /nfs/dbraw/zinc/67/93/62/168679362.db2.gz JJGNMSOJTSABGA-VIFPVBQESA-N -1 0 201.266 1.546 50 0 in-man BDAARM O=C([O-])Cc1csc(NCCC2CC2)n1 ZINC000087665394 323941560 /nfs/dbraw/zinc/94/15/60/323941560.db2.gz CWIYLPURVGRJHO-UHFFFAOYSA-N -1 0 226.301 1.982 50 0 BDAARM COc1ccc(F)cc1C(=O)CCC(=O)[O-] ZINC000004998669 187928478 /nfs/dbraw/zinc/92/84/78/187928478.db2.gz STRZAYFOSFZMGO-UHFFFAOYSA-N -1 0 226.203 1.882 50 0 BDAARM CC(C)[C@H](NC(=O)C1CCCC1)C(=O)[O-] ZINC000020285175 187936593 /nfs/dbraw/zinc/93/65/93/187936593.db2.gz KOTSMFCVHBPFCV-VIFPVBQESA-N -1 0 213.277 1.402 50 0 BDAARM CCN(CC)c1ccc(C(=O)[O-])cc1N ZINC000055526905 187955832 /nfs/dbraw/zinc/95/58/32/187955832.db2.gz VWXFRCUFJXXRDC-UHFFFAOYSA-N -1 0 208.261 1.813 50 0 BDAARM Cc1nn(Cc2ccccc2)c(N)c1C(=O)[O-] ZINC000225393589 188010427 /nfs/dbraw/zinc/01/04/27/188010427.db2.gz FHFRBUYYBLGCFE-UHFFFAOYSA-N -1 0 231.255 1.520 50 0 BDAARM CC(C)N(CC(=O)[O-])C(=O)c1ccc(F)cn1 ZINC000228564286 188013930 /nfs/dbraw/zinc/01/39/30/188013930.db2.gz GZIAKDWYJZUTJS-UHFFFAOYSA-N -1 0 240.234 1.156 50 0 BDAARM Cc1ccc(C(=O)NCC(C)(C)C(=O)[O-])s1 ZINC000097018896 188017285 /nfs/dbraw/zinc/01/72/85/188017285.db2.gz ZCRDOTBLEZJJMZ-UHFFFAOYSA-N -1 0 241.312 1.897 50 0 BDAARM C[C@@H](ON=Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000002157781 363438638 /nfs/dbraw/zinc/43/86/38/363438638.db2.gz RIQFULUXUCSLCO-SSDOTTSWSA-N -1 0 238.199 1.418 50 0 BDAARM [NH3+][C@@H](CCCCCCC(=O)[O-])CCCC(=O)[O-] ZINC000002151063 363426094 /nfs/dbraw/zinc/42/60/94/363426094.db2.gz CNLKLLIIKYJMJD-JTQLQIEISA-N -1 0 245.319 1.994 50 0 biogenic BDAARM CCC[C@@H]1CCCCN1C(=O)[C@@H](C)C(=O)[O-] ZINC000165646892 538464282 /nfs/dbraw/zinc/46/42/82/538464282.db2.gz GIXVRHJKLQWEFI-NXEZZACHSA-N -1 0 227.304 1.888 50 0 BDAARM Nc1cccc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675069992 538500386 /nfs/dbraw/zinc/50/03/86/538500386.db2.gz OATUZIDHLZPNSH-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM CCc1nc(NCC2CC2)ncc1C(=O)[O-] ZINC000075166016 356891227 /nfs/dbraw/zinc/89/12/27/356891227.db2.gz AUFDRACSMIDZMC-UHFFFAOYSA-N -1 0 221.260 1.559 50 0 BDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)C1CC(C)C1 ZINC000393812476 357301172 /nfs/dbraw/zinc/30/11/72/357301172.db2.gz YFPGBOISQJAQAU-HWOCKDDLSA-N -1 0 227.304 1.744 50 0 BDAARM CCOC(=O)N1CCC([C@H](C)C(=O)[O-])CC1 ZINC000685951480 538895180 /nfs/dbraw/zinc/89/51/80/538895180.db2.gz KZSKNDRJHOFDOK-QMMMGPOBSA-N -1 0 229.276 1.576 50 0 BDAARM [NH]c1cccc(N2C(=O)N(C3CC3)C(=O)C2O)c1 ZINC000103222578 358010721 /nfs/dbraw/zinc/01/07/21/358010721.db2.gz GZRIWQQCXKNPNT-UHFFFAOYSA-N -1 0 246.246 1.300 50 0 BDAARM Cn1c2ccc(F)cc2c(C=O)c1C(=O)[O-] ZINC000008417068 359987019 /nfs/dbraw/zinc/98/70/19/359987019.db2.gz AGTFDJYQJDBABU-UHFFFAOYSA-N -1 0 221.187 1.828 50 0 BDAARM CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)[O-] ZINC000016696794 219813785 /nfs/dbraw/zinc/81/37/85/219813785.db2.gz SOVRNHLRLBIHRI-SNVBAGLBSA-N -1 0 243.209 1.097 50 0 BDAARM CCCCNc1ncc(C(=O)[O-])c(COC)n1 ZINC000169751215 361029019 /nfs/dbraw/zinc/02/90/19/361029019.db2.gz IPNGNJXMQDHPEB-UHFFFAOYSA-N -1 0 239.275 1.533 50 0 BDAARM CCOC(=O)C(C#N)=N[N-]c1ccccc1F ZINC000252608342 364005188 /nfs/dbraw/zinc/00/51/88/364005188.db2.gz HJLYACDWKGHTNA-UHFFFAOYSA-N -1 0 235.218 1.680 50 0 BDAARM COc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000037517406 364141938 /nfs/dbraw/zinc/14/19/38/364141938.db2.gz FNGYZRSNAHPDCP-WDEREUQCSA-N -1 0 249.266 1.032 50 0 BDAARM CCOc1ccc(NC(C)=O)cc1[S@](=O)[O-] ZINC000675060414 541463512 /nfs/dbraw/zinc/46/35/12/541463512.db2.gz YOJYZBCGQJILDI-UHFFFAOYSA-N -1 0 243.284 1.624 50 0 BDAARM COc1ccccc1CC(=O)CC(=O)[O-] ZINC000080437699 368381472 /nfs/dbraw/zinc/38/14/72/368381472.db2.gz ZQNHWFMOURNJTE-UHFFFAOYSA-N -1 0 208.213 1.282 50 0 BDAARM Nc1c(N=O)c(=O)[n-]c(=S)n1-c1ccccc1 ZINC000072323984 181670993 /nfs/dbraw/zinc/67/09/93/181670993.db2.gz QTCSFOMLZYTWJQ-UHFFFAOYSA-N -1 0 248.267 1.875 50 0 BDAARM COC(=O)[C@H](C)Sc1n[n-]c(=S)s1 ZINC000004141435 372151683 /nfs/dbraw/zinc/15/16/83/372151683.db2.gz OVFVNXZKMPNLJV-VKHMYHEASA-N -1 0 236.343 1.480 50 0 BDAARM O=C([O-])C1(NC(=O)[C@H]2CCCCO2)CCCC1 ZINC000050959249 182089032 /nfs/dbraw/zinc/08/90/32/182089032.db2.gz FXQIKRCHIZZWHT-SECBINFHSA-N -1 0 241.287 1.069 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCCCCCC1 ZINC000004108481 182114029 /nfs/dbraw/zinc/11/40/29/182114029.db2.gz UZOXCZPEXYPXNF-WDEREUQCSA-N -1 0 239.315 1.936 50 0 BDAARM O=C([N-]Cc1ccccc1)C(F)(F)F ZINC000001471031 182255692 /nfs/dbraw/zinc/25/56/92/182255692.db2.gz DEXVYKWXVWAYGO-UHFFFAOYSA-N -1 0 203.163 1.865 50 0 in-vitro BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccccc1 ZINC000036532837 182257589 /nfs/dbraw/zinc/25/75/89/182257589.db2.gz FUWHNFZMBCQYGY-VHSXEESVSA-N -1 0 219.240 1.024 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC000085006426 182309855 /nfs/dbraw/zinc/30/98/55/182309855.db2.gz QPYODLXMFBKTMB-VHSXEESVSA-N -1 0 223.272 1.322 50 0 BDAARM O=C([O-])/C=C\c1coc2ccccc2c1=O ZINC000033280140 182414672 /nfs/dbraw/zinc/41/46/72/182414672.db2.gz JTKDMUFCCJDYLT-WAYWQWQTSA-N -1 0 216.192 1.891 50 0 BDAARM O=C([O-])CC(=O)Nc1ccc(F)cc1F ZINC000001393426 182431525 /nfs/dbraw/zinc/43/15/25/182431525.db2.gz BLRHZPRRWUULKK-UHFFFAOYSA-N -1 0 215.155 1.378 50 0 BDAARM O=C([O-])CCc1coc2cc(F)ccc2c1=O ZINC000025725799 182455663 /nfs/dbraw/zinc/45/56/63/182455663.db2.gz KITQYDBTTYGHMU-UHFFFAOYSA-N -1 0 236.198 1.949 50 0 BDAARM O=C([O-])CCOc1ccc(F)c(F)c1 ZINC000022147301 182449716 /nfs/dbraw/zinc/44/97/16/182449716.db2.gz QLCCVQPPVLGIKS-UHFFFAOYSA-N -1 0 202.156 1.818 50 0 BDAARM O=C([O-])CCS(=O)(=O)c1ccc(F)cc1 ZINC000000104844 182449737 /nfs/dbraw/zinc/44/97/37/182449737.db2.gz AUOJGJQMJQUYSP-UHFFFAOYSA-N -1 0 232.232 1.074 50 0 BDAARM O=C([O-])Cc1cn2cc(C(F)(F)F)ccc2n1 ZINC000036243580 182492979 /nfs/dbraw/zinc/49/29/79/182492979.db2.gz AMHRIMIWEWHXRJ-UHFFFAOYSA-N -1 0 244.172 1.980 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccccc1 ZINC000001640068 182536158 /nfs/dbraw/zinc/53/61/58/182536158.db2.gz RQYKQWFHJOBBAO-SNVBAGLBSA-N -1 0 219.240 1.376 50 0 BDAARM O=C([O-])[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000117298994 182539598 /nfs/dbraw/zinc/53/95/98/182539598.db2.gz SIXDNAOJMRQGSG-QMMMGPOBSA-N -1 0 226.253 1.032 50 0 BDAARM O=C([O-])c1cc(C2CC2)nc2ccnn21 ZINC000084728690 182554044 /nfs/dbraw/zinc/55/40/44/182554044.db2.gz FFLHGOJDJYENGZ-UHFFFAOYSA-N -1 0 203.201 1.305 50 0 BDAARM O=C([O-])c1cc(Cn2cccn2)cs1 ZINC000012357630 182554649 /nfs/dbraw/zinc/55/46/49/182554649.db2.gz OPKYOQJSJSCWTO-UHFFFAOYSA-N -1 0 208.242 1.691 50 0 BDAARM O=C([O-])c1cc(Cl)nc(Cl)c1O ZINC000002525009 182555087 /nfs/dbraw/zinc/55/50/87/182555087.db2.gz LOQNBXJKGZGLCJ-UHFFFAOYSA-N -1 0 208.000 1.792 50 0 BDAARM O=C([O-])c1c(Cl)cccc1-n1cnnc1 ZINC000004935646 182548073 /nfs/dbraw/zinc/54/80/73/182548073.db2.gz OMZYVXNFZJKXPR-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM O=C([O-])c1ccc(OCC(=O)C2CC2)cc1 ZINC000038478297 182570936 /nfs/dbraw/zinc/57/09/36/182570936.db2.gz XIWULNQPHBRBCJ-UHFFFAOYSA-N -1 0 220.224 1.743 50 0 BDAARM O=C([O-])c1ccc(OC2CCOCC2)cc1 ZINC000012370466 182571268 /nfs/dbraw/zinc/57/12/68/182571268.db2.gz MPNYLYRGNCZFFH-UHFFFAOYSA-N -1 0 222.240 1.943 50 0 BDAARM O=C([O-])c1ccc2nnc(C(F)F)n2c1 ZINC000052125355 182574148 /nfs/dbraw/zinc/57/41/48/182574148.db2.gz CMRYYTDJRPPXJO-UHFFFAOYSA-N -1 0 213.143 1.365 50 0 BDAARM O=C([O-])c1ccc(-c2cnccn2)cn1 ZINC000069048726 182561884 /nfs/dbraw/zinc/56/18/84/182561884.db2.gz UKHFKTCQUPSESL-UHFFFAOYSA-N -1 0 201.185 1.237 50 0 BDAARM O=C([O-])c1ccccc1NC(=O)C(F)(F)F ZINC000000097688 182581521 /nfs/dbraw/zinc/58/15/21/182581521.db2.gz LAZKSSYOKYWMRN-UHFFFAOYSA-N -1 0 233.145 1.886 50 0 BDAARM O=C([O-])c1coc(NC(=O)c2cccs2)n1 ZINC000038478248 182593923 /nfs/dbraw/zinc/59/39/23/182593923.db2.gz OXDYMXPHULWZSG-UHFFFAOYSA-N -1 0 238.224 1.687 50 0 BDAARM O=C([O-])c1nccn2c(Br)cnc12 ZINC000084193585 182596243 /nfs/dbraw/zinc/59/62/43/182596243.db2.gz VPSLZKQSMGMMQP-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM CCOC(=O)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000002975104 170249526 /nfs/dbraw/zinc/24/95/26/170249526.db2.gz 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247.294 1.552 50 0 BDAARM O=C([O-])Cc1c[nH]c2nccc(Cl)c12 ZINC000035570061 383861574 /nfs/dbraw/zinc/86/15/74/383861574.db2.gz IZJVHSHRINPQTM-UHFFFAOYSA-N -1 0 210.620 1.843 50 0 BDAARM O=C([O-])C1CCN(C(=O)c2cccnc2)CC1 ZINC000000540757 383875308 /nfs/dbraw/zinc/87/53/08/383875308.db2.gz QLIKYTOUENHOPC-UHFFFAOYSA-N -1 0 234.255 1.018 50 0 BDAARM C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000146182 383832356 /nfs/dbraw/zinc/83/23/56/383832356.db2.gz RICKYTLEGMVQTI-ZCFIWIBFSA-N -1 0 211.192 1.029 50 0 BDAARM O=C([O-])C(=O)c1ccc2c(c1)CCCC2 ZINC000036893467 383918185 /nfs/dbraw/zinc/91/81/85/383918185.db2.gz QHRBNGZIHJDJIS-UHFFFAOYSA-N -1 0 204.225 1.833 50 0 BDAARM O=C(c1cc(F)ccc1O)N1CCCOC1 ZINC000293701049 383918558 /nfs/dbraw/zinc/91/85/58/383918558.db2.gz TUCCACCRPNUZHR-UHFFFAOYSA-N -1 0 225.219 1.351 50 0 BDAARM O=C([O-])c1ccnn1CCc1ccccc1 ZINC000070210947 383889236 /nfs/dbraw/zinc/88/92/36/383889236.db2.gz ZOGFAOYLUSLKCQ-UHFFFAOYSA-N -1 0 216.240 1.824 50 0 BDAARM 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ZINC000003683924 384023220 /nfs/dbraw/zinc/02/32/20/384023220.db2.gz CQENZGODHXEUQJ-UHFFFAOYSA-N -1 0 211.286 1.832 50 0 BDAARM O=C([O-])Cc1csc(-c2cccnc2)n1 ZINC000004206923 384044672 /nfs/dbraw/zinc/04/46/72/384044672.db2.gz ZKEORNUIZYBTGA-UHFFFAOYSA-N -1 0 220.253 1.832 50 0 BDAARM O=C([O-])CCNC(=O)c1ccc(Cl)cc1 ZINC000003887259 384033743 /nfs/dbraw/zinc/03/37/43/384033743.db2.gz ZCGLNFAUVVHTQO-UHFFFAOYSA-N -1 0 227.647 1.545 50 0 BDAARM COCc1nnc(-c2cccc(C(=O)[O-])c2)o1 ZINC000090225796 384036776 /nfs/dbraw/zinc/03/67/76/384036776.db2.gz DAGKJRITTPHHRD-UHFFFAOYSA-N -1 0 234.211 1.581 50 0 BDAARM Cc1ccc(NC(=O)[C@H](C)C(=O)[O-])cc1C ZINC000077331829 384068261 /nfs/dbraw/zinc/06/82/61/384068261.db2.gz OYIRDFZJDZWMAF-VIFPVBQESA-N -1 0 221.256 1.963 50 0 BDAARM CC1(C(=O)N[C@H]2CCCC[C@H]2CC(=O)[O-])CC1 ZINC000309703694 384136418 /nfs/dbraw/zinc/13/64/18/384136418.db2.gz HAFLXXZXHWTNHF-UWVGGRQHSA-N -1 0 239.315 1.936 50 0 BDAARM Cc1ccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1 ZINC000091441420 384126161 /nfs/dbraw/zinc/12/61/61/384126161.db2.gz AFGXOISOHMLUOH-WDEREUQCSA-N -1 0 247.298 1.332 50 0 BDAARM C[C@]1(C(=O)[O-])Sc2ccccc2NC1=O ZINC000006183891 384149313 /nfs/dbraw/zinc/14/93/13/384149313.db2.gz KNYBGIVEDGJSBH-JTQLQIEISA-N -1 0 223.253 1.574 50 0 BDAARM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)[O-] ZINC000040396051 384152484 /nfs/dbraw/zinc/15/24/84/384152484.db2.gz HKMOXOCWLLDWTN-NZGHECTNSA-N -1 0 229.301 1.329 50 0 BDAARM COc1cc(C(=O)[O-])cc(NC(C)=O)c1OC ZINC000071790260 384180592 /nfs/dbraw/zinc/18/05/92/384180592.db2.gz NWQXYLHJHBKEDW-UHFFFAOYSA-N -1 0 239.227 1.360 50 0 BDAARM O=C([O-])c1ccc(-c2nccs2)cn1 ZINC000118048289 384189727 /nfs/dbraw/zinc/18/97/27/384189727.db2.gz WYXFCAVXHLKGLU-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000072194800 384200927 /nfs/dbraw/zinc/20/09/27/384200927.db2.gz XRHBXDPKZDBKBX-ZETCQYMHSA-N -1 0 219.162 1.947 50 0 BDAARM Cc1n[n-]c(NCCc2ccccc2)nc1=O ZINC000008772861 384218197 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/nfs/dbraw/zinc/42/64/93/384426493.db2.gz YKWITVDLJPKZHM-UHFFFAOYSA-N -1 0 245.234 1.330 50 0 BDAARM CCCC[C@H](COC)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262377219 384411529 /nfs/dbraw/zinc/41/15/29/384411529.db2.gz HRBZRHKMXRDYKY-BBBLOLIVSA-N -1 0 243.303 1.029 50 0 BDAARM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)C)no1 ZINC000059882150 384378450 /nfs/dbraw/zinc/37/84/50/384378450.db2.gz ARPFJHSFSGIVOR-UHFFFAOYSA-N -1 0 240.259 1.166 50 0 BDAARM Nc1ccc(-c2nnc(CCC(=O)[O-])o2)cc1 ZINC000095532200 384381336 /nfs/dbraw/zinc/38/13/36/384381336.db2.gz SALBJQRVAPMEAS-UHFFFAOYSA-N -1 0 233.227 1.336 50 0 BDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C(F)(F)F ZINC000095642219 384385289 /nfs/dbraw/zinc/38/52/89/384385289.db2.gz DRKWWMGEXDHBSK-SCSAIBSYSA-N -1 0 243.181 1.527 50 0 BDAARM C[C@]1(c2ccccc2)CN(CC(=O)[O-])CCO1 ZINC000237783383 384385511 /nfs/dbraw/zinc/38/55/11/384385511.db2.gz BFDFNJBHYPFXRD-CYBMUJFWSA-N -1 0 235.283 1.319 50 0 BDAARM Cn1ncc2c1cc(F)c(C(=O)[O-])c2F ZINC000114224581 384455589 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/nfs/dbraw/zinc/22/87/31/170228731.db2.gz YGWOQHVFLNTQNZ-UHFFFAOYSA-N -1 0 224.212 1.327 50 0 BDAARM CCOC(=O)C1=C([O-])c2ccccc2N(C)CC1 ZINC000000401342 170259137 /nfs/dbraw/zinc/25/91/37/170259137.db2.gz FVQGLBINDBXHNI-LLVKDONJSA-N -1 0 247.294 1.889 50 0 BDAARM CCOC(=O)c1c[n-]c2ccccc2c1=O ZINC000008647797 170290103 /nfs/dbraw/zinc/29/01/03/170290103.db2.gz YBEOYBKKSWUSBR-UHFFFAOYSA-N -1 0 217.224 1.705 50 0 biogenic,in-vivo BDAARM CCOC(=O)c1nc(=O)c2sccc2[n-]1 ZINC000091301514 170306953 /nfs/dbraw/zinc/30/69/53/170306953.db2.gz MZMHHCYVZKHGQJ-UHFFFAOYSA-N -1 0 224.241 1.574 50 0 BDAARM CCOc1ccc(C(=O)[O-])c(N)c1OCC ZINC000039206837 170538206 /nfs/dbraw/zinc/53/82/06/170538206.db2.gz RIYLVSKCHUEVJE-UHFFFAOYSA-N -1 0 225.244 1.764 50 0 BDAARM CCS(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000006697643 170613373 /nfs/dbraw/zinc/61/33/73/170613373.db2.gz BPMWPANTEVODDT-UHFFFAOYSA-N -1 0 243.284 1.171 50 0 BDAARM CCS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000002244025 170624100 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171846834 /nfs/dbraw/zinc/84/68/34/171846834.db2.gz AARYVTCBYSGLEG-SNVBAGLBSA-N -1 0 220.224 1.415 50 0 BDAARM CCc1occc1C(=O)N[C@](C)(CC)C(=O)[O-] ZINC000234174866 172118138 /nfs/dbraw/zinc/11/81/38/172118138.db2.gz QWPSGWZGFMARIE-GFCCVEGCSA-N -1 0 239.271 1.825 50 0 BDAARM CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21 ZINC000000057421 172157361 /nfs/dbraw/zinc/15/73/61/172157361.db2.gz MHWLWQUZZRMNGJ-UHFFFAOYSA-N -1 0 232.239 1.423 50 0 world BDAARM CCn1nccc1-c1cc(C(=O)[O-])no1 ZINC000002538058 172256040 /nfs/dbraw/zinc/25/60/40/172256040.db2.gz PWTXYDMPKYRZSH-UHFFFAOYSA-N -1 0 207.189 1.256 50 0 BDAARM CN(C(=O)/C=C\C(=O)[O-])c1ccccc1 ZINC000100251512 172294136 /nfs/dbraw/zinc/29/41/36/172294136.db2.gz DGYPFFQJGDMQMT-FPLPWBNLSA-N -1 0 205.213 1.290 50 0 BDAARM CN(C)C(=O)CCc1cccc(C(=O)[O-])c1 ZINC000043828322 172361979 /nfs/dbraw/zinc/36/19/79/172361979.db2.gz GJUYHQSFZZTYFX-UHFFFAOYSA-N -1 0 221.256 1.406 50 0 BDAARM CN(CC(=O)[O-])c1cccc(C(F)(F)F)n1 ZINC000044270874 172618040 /nfs/dbraw/zinc/61/80/40/172618040.db2.gz HIDUCVWPDQTLTG-UHFFFAOYSA-N -1 0 234.177 1.621 50 0 BDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cccs1 ZINC000057341413 172965433 /nfs/dbraw/zinc/96/54/33/172965433.db2.gz AAPFIMRYQDNKFR-IMTBSYHQSA-N -1 0 225.269 1.352 50 0 BDAARM COC1=C(c2ccccc2)[C@H](CC(=O)[O-])OC1=O ZINC000034164637 174013136 /nfs/dbraw/zinc/01/31/36/174013136.db2.gz LZQYAYALNIMEFX-VIFPVBQESA-N -1 0 248.234 1.444 50 0 BDAARM COCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000053731018 174123282 /nfs/dbraw/zinc/12/32/82/174123282.db2.gz WVIKIEMAWQGBKM-SNVBAGLBSA-N -1 0 243.303 1.269 50 0 BDAARM COc1c(N)cc(Br)cc1C(=O)[O-] ZINC000169801051 174932960 /nfs/dbraw/zinc/93/29/60/174932960.db2.gz FSUWFQHUJOPMDR-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM COc1cc2[nH]cc(C(=O)[O-])c(=O)c2c(OC)c1 ZINC000035731178 175008398 /nfs/dbraw/zinc/00/83/98/175008398.db2.gz OOFJEEXBHNBXJL-UHFFFAOYSA-N -1 0 249.222 1.656 50 0 biogenic BDAARM COc1cc(OCCCC(=O)[O-])ccc1C=O ZINC000002244156 175012410 /nfs/dbraw/zinc/01/24/10/175012410.db2.gz RHQAFYIBBWZTOI-UHFFFAOYSA-N -1 0 238.239 1.751 50 0 in-vitro BDAARM COc1cc2cc(C(=O)[O-])nnc2cc1OC ZINC000012505608 175026139 /nfs/dbraw/zinc/02/61/39/175026139.db2.gz PBTKNSLLXQBHGG-UHFFFAOYSA-N -1 0 234.211 1.345 50 0 BDAARM COc1cc2cc(C(=O)[O-])n(C)c2cc1OC ZINC000003881740 175026788 /nfs/dbraw/zinc/02/67/88/175026788.db2.gz ANSUPYBJVNMSJB-UHFFFAOYSA-N -1 0 235.239 1.894 50 0 biogenic BDAARM COc1ccc(C)cc1[C@@H](O)CCC(=O)[O-] ZINC000004939562 175080308 /nfs/dbraw/zinc/08/03/08/175080308.db2.gz NWKVNRFFFAMEIY-JTQLQIEISA-N -1 0 224.256 1.902 50 0 BDAARM COc1ccc(Cl)cc1CC(=O)[O-] ZINC000004218546 175120432 /nfs/dbraw/zinc/12/04/32/175120432.db2.gz KEUMRDNHQQLLKV-UHFFFAOYSA-N -1 0 200.621 1.976 50 0 BDAARM COc1ccc(Cl)cc1[C@@H]1OC(=O)[N-]C1=O ZINC000027863849 175121751 /nfs/dbraw/zinc/12/17/51/175121751.db2.gz UXSMKNBVXKFWCJ-QMMMGPOBSA-N -1 0 241.630 1.656 50 0 BDAARM COc1ccc(Cn2cc(C(=O)[O-])nn2)cc1 ZINC000013998392 175123192 /nfs/dbraw/zinc/12/31/92/175123192.db2.gz WOVCZGZVFJWZBD-UHFFFAOYSA-N -1 0 233.227 1.033 50 0 BDAARM COc1ccc2[nH]c(=O)c(C)c([O-])c2c1 ZINC000144989212 175202227 /nfs/dbraw/zinc/20/22/27/175202227.db2.gz KDEVMYLHZWJJRB-UHFFFAOYSA-N -1 0 205.213 1.551 50 0 BDAARM COc1cccc(CC2=NO[C@H](C(=O)[O-])C2)c1 ZINC000004721642 175250854 /nfs/dbraw/zinc/25/08/54/175250854.db2.gz GTRNMPXVDUAZQW-NSHDSACASA-N -1 0 235.239 1.467 50 0 BDAARM COc1cccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c1 ZINC000040162856 175297025 /nfs/dbraw/zinc/29/70/25/175297025.db2.gz OMBSJXKIDSUKKC-JQWIXIFHSA-N -1 0 249.266 1.299 50 0 BDAARM COc1ccccc1-c1nsnc1C(=O)[O-] ZINC000000199313 175313153 /nfs/dbraw/zinc/31/31/53/175313153.db2.gz ZXPINLNSWDXTIZ-UHFFFAOYSA-N -1 0 236.252 1.912 50 0 BDAARM COc1ccccc1C(=O)NCCCC(=O)[O-] ZINC000002275897 175318549 /nfs/dbraw/zinc/31/85/49/175318549.db2.gz SEOYJTIHERCQOM-UHFFFAOYSA-N -1 0 237.255 1.290 50 0 biogenic BDAARM COc1ccccc1C1=NO[C@@H](C(=O)[O-])C1 ZINC000000819000 175320770 /nfs/dbraw/zinc/32/07/70/175320770.db2.gz DZQPCQZVKAAAJK-SNVBAGLBSA-N -1 0 221.212 1.273 50 0 biogenic BDAARM COc1nc2c(cc1C(=O)[O-])COC(C)(C)C2 ZINC000004029792 175396779 /nfs/dbraw/zinc/39/67/79/175396779.db2.gz HDLQIWUWKMTKPM-UHFFFAOYSA-N -1 0 237.255 1.640 50 0 biogenic BDAARM CSc1ncc(C(=O)[O-])c(NCC(C)C)n1 ZINC000020385498 175589663 /nfs/dbraw/zinc/58/96/63/175589663.db2.gz LKHAICSPPZRUHL-UHFFFAOYSA-N -1 0 241.316 1.965 50 0 BDAARM C[C@@H]1C(=O)N=C([O-])N1c1ccc(Cl)cc1 ZINC000004219003 176045462 /nfs/dbraw/zinc/04/54/62/176045462.db2.gz YRTFBBSKIRZNAW-ZCFIWIBFSA-N -1 0 224.647 1.785 50 0 BDAARM C[C@@H]1CC(OS(=O)(=O)[O-])C[C@@H](C)C1 ZINC000002166941 176055842 /nfs/dbraw/zinc/05/58/42/176055842.db2.gz NLZXYVZEEQNJLB-BQBZGAKWSA-N -1 0 208.279 1.631 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000097018090 176384588 /nfs/dbraw/zinc/38/45/88/176384588.db2.gz UVMQIMPURICGNG-KOLCDFICSA-N -1 0 239.315 1.888 50 0 BDAARM C[C@@](NC(=O)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000038137721 176513196 /nfs/dbraw/zinc/51/31/96/176513196.db2.gz AOJVANVFXPTMQE-ZDUSSCGKSA-N -1 0 239.315 1.936 50 0 BDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccnc2)C1 ZINC000062912632 176528342 /nfs/dbraw/zinc/52/83/42/176528342.db2.gz WWIRIGOSOZCPQP-GFCCVEGCSA-N -1 0 234.255 1.018 50 0 BDAARM C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCC(=O)[O-] ZINC000237422414 177021506 /nfs/dbraw/zinc/02/15/06/177021506.db2.gz BEVLLMAPQBPWET-UTLUCORTSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H](SCCc1ccccn1)C(=O)[O-] ZINC000000271007 177027294 /nfs/dbraw/zinc/02/72/94/177027294.db2.gz KGXMQKHBWDSVNQ-QMMMGPOBSA-N -1 0 211.286 1.830 50 0 BDAARM C[C@H](c1c[nH]c2ccccc21)[C@H](O)C(=O)[O-] ZINC000012401855 177031661 /nfs/dbraw/zinc/03/16/61/177031661.db2.gz NUFXPJOTSOMKFZ-HQJQHLMTSA-N -1 0 219.240 1.717 50 0 biogenic,in-vitro BDAARM C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000351353 177355043 /nfs/dbraw/zinc/35/50/43/177355043.db2.gz FSBMSOUGCFEYBD-UJURSFKZSA-N -1 0 249.192 1.889 50 0 BDAARM Cc1c(O)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002483181 177580450 /nfs/dbraw/zinc/58/04/50/177580450.db2.gz MCEZSAXDCRQSJM-UHFFFAOYSA-N -1 0 248.234 1.743 50 0 biogenic BDAARM Cc1c(NC(=O)[C@@H]2CCCO2)cccc1C(=O)[O-] ZINC000004487581 177617680 /nfs/dbraw/zinc/61/76/80/177617680.db2.gz BRKAIKMVNULTPQ-NSHDSACASA-N -1 0 249.266 1.811 50 0 BDAARM Cc1noc(C)c1CN1CCC[C@H]1C(=O)[O-] ZINC000034925073 487673141 /nfs/dbraw/zinc/67/31/41/487673141.db2.gz WNRJQVYDTWFURB-JTQLQIEISA-N -1 0 224.260 1.340 50 0 BDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccnc2)C1 ZINC000111470377 487881224 /nfs/dbraw/zinc/88/12/24/487881224.db2.gz SFLPMYUEMFGYJO-VHSXEESVSA-N -1 0 248.282 1.911 50 0 BDAARM Cc1nn(C)cc1C([O-])=CC(=O)C(F)F ZINC000100497203 487945827 /nfs/dbraw/zinc/94/58/27/487945827.db2.gz LSJYQWHOOBBGSN-UHFFFAOYSA-N -1 0 216.187 1.136 50 0 BDAARM Cc1c(C([O-])=CC(=O)C(F)F)cnn1C ZINC000100497202 487945913 /nfs/dbraw/zinc/94/59/13/487945913.db2.gz DBXIFTADKAJPSE-UHFFFAOYSA-N -1 0 216.187 1.136 50 0 BDAARM O=C([O-])C1(NC(=O)c2cccn2C2CC2)CCC1 ZINC000164901645 323077365 /nfs/dbraw/zinc/07/73/65/323077365.db2.gz ZROFGLKUJJLZJS-UHFFFAOYSA-N -1 0 248.282 1.560 50 0 BDAARM Cc1cc(C(=O)N2CC=C[C@H]2C(=O)[O-])cs1 ZINC000534591511 323154445 /nfs/dbraw/zinc/15/44/45/323154445.db2.gz MHAWEBOQMKNEJD-VIFPVBQESA-N -1 0 237.280 1.522 50 0 BDAARM COc1nc(-c2ccc(C(=O)[O-])s2)nn1C ZINC000534642930 323156566 /nfs/dbraw/zinc/15/65/66/323156566.db2.gz FBQZKUORDKIJDP-UHFFFAOYSA-N -1 0 239.256 1.250 50 0 BDAARM C[C@@H](Oc1cccc(-c2cncnc2)c1)C(=O)[O-] ZINC000534647993 323158102 /nfs/dbraw/zinc/15/81/02/323158102.db2.gz YKMVOWFHHPASOV-SECBINFHSA-N -1 0 244.250 1.996 50 0 BDAARM CC(C)c1nc(N2CCC[C@H]2C(=O)[O-])no1 ZINC000534676894 323159383 /nfs/dbraw/zinc/15/93/83/323159383.db2.gz SQNFDYOWIGRYGH-ZETCQYMHSA-N -1 0 225.248 1.246 50 0 BDAARM O=C([O-])CCNC(=O)c1cccc(Cl)c1 ZINC000011891710 488085338 /nfs/dbraw/zinc/08/53/38/488085338.db2.gz ZMSWPDPVKYKRPB-UHFFFAOYSA-N -1 0 227.647 1.545 50 0 BDAARM [NH3+][C@@H](C(=O)[O-])c1cc(F)cc(Cl)c1 ZINC000033600023 490104582 /nfs/dbraw/zinc/10/45/82/490104582.db2.gz VWPYWHBZIUYVIO-SSDOTTSWSA-N -1 0 203.600 1.564 50 0 BDAARM O=C([O-])[C@@H]1CCN1C(=O)/C=C\c1ccccc1 ZINC000222045825 592466655 /nfs/dbraw/zinc/46/66/55/592466655.db2.gz VTJKXALCBPBEEM-ZADCQDASSA-N -1 0 231.251 1.385 50 0 BDAARM CC[C@H](NC(=O)/C=C(/C)C1CC1)C(=O)[O-] ZINC000097035871 601676680 /nfs/dbraw/zinc/67/66/80/601676680.db2.gz VRSXMRBHJRERQP-NMTCXDENSA-N -1 0 211.261 1.322 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1(C)CC1 ZINC000118762780 631986893 /nfs/dbraw/zinc/98/68/93/631986893.db2.gz YIVOXOHBBPCXTC-ZETCQYMHSA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])[C@H]1C(=O)CC(=O)C[C@@H]1c1ccccc1 ZINC000109672798 636650126 /nfs/dbraw/zinc/65/01/26/636650126.db2.gz HTQUUUMPKJSRDL-ZYHUDNBSSA-N -1 0 232.235 1.403 50 0 BDAARM O=C1[N-]C(=O)/C(=C/c2cc3ccccc3[nH]2)N1 ZINC000002495035 642397435 /nfs/dbraw/zinc/39/74/35/642397435.db2.gz KJNUMSXKDCMNRF-POHAHGRESA-N -1 0 227.223 1.348 50 0 BDAARM CCc1nn(C)c(NC(=O)CCC(=O)[O-])c1C ZINC001529173884 990336231 /nfs/dbraw/zinc/33/62/31/990336231.db2.gz QYXWMNDHIBFPNE-UHFFFAOYSA-N -1 0 239.275 1.094 50 0 BDAARM CC(C)(C)OC(=O)CCCCC(=O)[O-] ZINC000034764766 136208880 /nfs/dbraw/zinc/20/88/80/136208880.db2.gz SNOPFBNMUDQLMF-UHFFFAOYSA-N -1 0 202.250 1.973 50 0 BDAARM CCO[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000070827120 398139323 /nfs/dbraw/zinc/13/93/23/398139323.db2.gz TWSLWHULHAEKCE-RXMQYKEDSA-N -1 0 201.247 1.939 50 0 BDAARM O=C([O-])c1ccc(N2C(=O)CSC2=O)cc1 ZINC000002608066 398179957 /nfs/dbraw/zinc/17/99/57/398179957.db2.gz WRHNFWIQVWRCHY-UHFFFAOYSA-N -1 0 237.236 1.585 50 0 BDAARM Cc1cc(F)cc(C(=O)NCCCC(=O)[O-])c1 ZINC000135172225 178076501 /nfs/dbraw/zinc/07/65/01/178076501.db2.gz SWQCQOZXHJEKQI-UHFFFAOYSA-N -1 0 239.246 1.729 50 0 BDAARM Cc1cc(F)ccc1-n1cc(O)c(C(=O)[O-])n1 ZINC000034959264 178080929 /nfs/dbraw/zinc/08/09/29/178080929.db2.gz VWFCSOSUIHOLNF-UHFFFAOYSA-N -1 0 236.202 1.724 50 0 BDAARM Cc1cc(F)ccc1-n1cc(C(=O)[O-])nn1 ZINC000020216584 178081180 /nfs/dbraw/zinc/08/11/80/178081180.db2.gz VLTACRKNEWKDEZ-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM Cc1cc(N)c(S(=O)(=O)[O-])cc1Cl ZINC000001669674 178103582 /nfs/dbraw/zinc/10/35/82/178103582.db2.gz VYZCFAPUHSSYCC-UHFFFAOYSA-N -1 0 221.665 1.477 50 0 BDAARM Cc1cc(N)nn1Cc1cccc(C(=O)[O-])c1 ZINC000002537432 178111513 /nfs/dbraw/zinc/11/15/13/178111513.db2.gz JHXQZDYYWUZBEO-UHFFFAOYSA-N -1 0 231.255 1.520 50 0 BDAARM Cc1cc(NC(=O)CCCC(=O)[O-])nc(C)n1 ZINC000000872865 178128083 /nfs/dbraw/zinc/12/80/83/178128083.db2.gz IEOPNFTYACHXCN-UHFFFAOYSA-N -1 0 237.259 1.287 50 0 BDAARM Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])C2)no1 ZINC000075403655 178147550 /nfs/dbraw/zinc/14/75/50/178147550.db2.gz AKBTUZWSTIORSK-YUMQZZPRSA-N -1 0 238.243 1.422 50 0 BDAARM CCS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000074941702 398210669 /nfs/dbraw/zinc/21/06/69/398210669.db2.gz AEHJFUBNRZVWAP-UHFFFAOYSA-N -1 0 248.687 1.832 50 0 BDAARM Cc1cc(=O)[nH]c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000008700995 178204225 /nfs/dbraw/zinc/20/42/25/178204225.db2.gz MOXOHCNEDWVSIE-UHFFFAOYSA-N -1 0 245.238 1.932 50 0 BDAARM CCC[C@@H]1CCCCN1C(=O)[C@H](C)C(=O)[O-] ZINC000165647152 538936266 /nfs/dbraw/zinc/93/62/66/538936266.db2.gz GIXVRHJKLQWEFI-VHSXEESVSA-N -1 0 227.304 1.888 50 0 BDAARM CC(=O)OC[C@@H](C(=O)[O-])c1ccccc1 ZINC000014504710 259305747 /nfs/dbraw/zinc/30/57/47/259305747.db2.gz OXGQBORIYFGJPM-SNVBAGLBSA-N -1 0 208.213 1.418 50 0 in-vitro BDAARM COc1ccc(C[C@@H](OC)C(=O)[O-])cc1 ZINC000014455518 259305771 /nfs/dbraw/zinc/30/57/71/259305771.db2.gz OGJKUGGZOYNPSS-SNVBAGLBSA-N -1 0 210.229 1.337 50 0 endogenous,in-man BDAARM Cc1ccc(-c2nc3c(nc[nH]c3=O)o2)cc1 ZINC000012395113 178337479 /nfs/dbraw/zinc/33/74/79/178337479.db2.gz KFISMGUGPMDONR-UHFFFAOYSA-N -1 0 227.223 1.887 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc(C)cc1C ZINC000011888114 178349323 /nfs/dbraw/zinc/34/93/23/178349323.db2.gz GXIGPAPVTWROEU-UHFFFAOYSA-N -1 0 231.255 1.891 50 0 BDAARM O=[S@@]([O-])c1c(Cl)nc2sccn21 ZINC000201824124 538949904 /nfs/dbraw/zinc/94/99/04/538949904.db2.gz RSSUUMWRONTVAR-UHFFFAOYSA-N -1 0 222.678 1.630 50 0 BDAARM Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000013167250 178384646 /nfs/dbraw/zinc/38/46/46/178384646.db2.gz ATTOWUKTMIWMLQ-UHFFFAOYSA-N -1 0 237.255 1.525 50 0 BDAARM Cc1ccc(C([O-])=CC(=O)CCCO)cc1 ZINC000100007890 178372018 /nfs/dbraw/zinc/37/20/18/178372018.db2.gz CITBBIDGKBBHGV-UHFFFAOYSA-N -1 0 220.268 1.909 50 0 BDAARM Cc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)o1 ZINC000062913019 178395626 /nfs/dbraw/zinc/39/56/26/178395626.db2.gz FCWAVDTVTAWOLS-GFCCVEGCSA-N -1 0 237.255 1.525 50 0 BDAARM O=C([O-])c1ccc(CN2CCOCC2)cc1 ZINC000000086693 342673879 /nfs/dbraw/zinc/67/38/79/342673879.db2.gz QYBXZYYECZFQRX-UHFFFAOYSA-N -1 0 221.256 1.217 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(CCc2cccs2)C1 ZINC000000113134 342675065 /nfs/dbraw/zinc/67/50/65/342675065.db2.gz HMKNZMMFHYMMGE-QMMMGPOBSA-N -1 0 239.296 1.224 50 0 BDAARM O=C([O-])c1ccccc1C(=O)N1CCCC1 ZINC000000142147 342676569 /nfs/dbraw/zinc/67/65/69/342676569.db2.gz QCEUWPGTKKABMR-UHFFFAOYSA-N -1 0 219.240 1.621 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000184466 342679383 /nfs/dbraw/zinc/67/93/83/342679383.db2.gz JYYMPQMWOVXMDK-ZETCQYMHSA-N -1 0 223.203 1.263 50 0 BDAARM O=C([O-])c1ccc(OC2CSC2)cc1 ZINC000000204836 342680133 /nfs/dbraw/zinc/68/01/33/342680133.db2.gz NAPVXVIZWXEVBJ-UHFFFAOYSA-N -1 0 210.254 1.879 50 0 BDAARM O=C([O-])c1ncc(-c2ccccc2)cn1 ZINC000000215374 342680461 /nfs/dbraw/zinc/68/04/61/342680461.db2.gz ZONDVYAPHBZSJV-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM Cc1cc(C)n(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000000214428 342680480 /nfs/dbraw/zinc/68/04/80/342680480.db2.gz HEVSAZDNJFDDDR-WDEREUQCSA-N -1 0 248.282 1.807 50 0 BDAARM C[C@@]1(C(=O)[O-])CC(=O)N=C2C=CC(Cl)=CN21 ZINC000000236013 342680944 /nfs/dbraw/zinc/68/09/44/342680944.db2.gz DQIFVTBOJFSIHQ-JTQLQIEISA-N -1 0 240.646 1.111 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000000236469 342680966 /nfs/dbraw/zinc/68/09/66/342680966.db2.gz ZOLDEFAIBWNKIN-NXEZZACHSA-N -1 0 225.288 1.500 50 0 BDAARM CN(CC(=O)[O-])C(=O)OCc1ccccc1 ZINC000000402355 342686782 /nfs/dbraw/zinc/68/67/82/342686782.db2.gz CBWFTZNMONHKNZ-UHFFFAOYSA-N -1 0 223.228 1.340 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1CCCC1 ZINC000000475059 342688306 /nfs/dbraw/zinc/68/83/06/342688306.db2.gz GFFQGBWDOUPKBF-MNOVXSKESA-N -1 0 237.299 1.712 50 0 BDAARM Cc1c(C(=O)[O-])c2cc(O)ccc2n1C ZINC000000524933 342689584 /nfs/dbraw/zinc/68/95/84/342689584.db2.gz OQXLSAKWTZREQM-UHFFFAOYSA-N -1 0 205.213 1.891 50 0 BDAARM O=C([O-])c1cc(Br)c(O)cc1O ZINC000000056594 342671857 /nfs/dbraw/zinc/67/18/57/342671857.db2.gz ZRBCISXJLHZOMS-UHFFFAOYSA-N -1 0 233.017 1.559 50 0 BDAARM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000000057231 342672052 /nfs/dbraw/zinc/67/20/52/342672052.db2.gz FJWNZTPXVSWUKF-ZCFIWIBFSA-N -1 0 233.289 1.381 50 0 BDAARM CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)[O-] ZINC000000057213 342672160 /nfs/dbraw/zinc/67/21/60/342672160.db2.gz BMIGSRMSSCUMAZ-SSDOTTSWSA-N -1 0 213.233 1.247 50 0 BDAARM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)[O-] ZINC000000539744 342689775 /nfs/dbraw/zinc/68/97/75/342689775.db2.gz KTOQGKOUGRAJPY-BDAKNGLRSA-N -1 0 228.292 1.291 50 0 BDAARM C[C@@H](CCC(=O)Nc1ccccn1)C(=O)[O-] ZINC000000802039 342692977 /nfs/dbraw/zinc/69/29/77/342692977.db2.gz OFZQVPDETVJLPQ-QMMMGPOBSA-N -1 0 222.244 1.521 50 0 BDAARM Nc1cc(Cl)c(S(=O)(=O)[O-])cc1Cl ZINC000001587869 342704399 /nfs/dbraw/zinc/70/43/99/342704399.db2.gz SJCTXIKOXTUQHC-UHFFFAOYSA-N -1 0 242.083 1.822 50 0 BDAARM C[C@H](NC(=O)/C=C/C(=O)[O-])c1ccccc1 ZINC000001754803 342712221 /nfs/dbraw/zinc/71/22/21/342712221.db2.gz YBCNEBVTRKGSFM-FLOXNTQESA-N -1 0 219.240 1.505 50 0 BDAARM CC(C)(C)CC(C)(C)NC(=O)/C=C/C(=O)[O-] ZINC000001760472 342712273 /nfs/dbraw/zinc/71/22/73/342712273.db2.gz LDWOVVMBOIZDML-VOTSOKGWSA-N -1 0 227.304 1.958 50 0 BDAARM O=C([O-])[C@@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000002025526 342714732 /nfs/dbraw/zinc/71/47/32/342714732.db2.gz GGQAKKRNFCXRFB-ZETCQYMHSA-N -1 0 242.099 1.500 50 0 BDAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002170237 342716660 /nfs/dbraw/zinc/71/66/60/342716660.db2.gz SZXBQTSZISFIAO-ZETCQYMHSA-N -1 0 217.265 1.620 50 0 BDAARM CC1(C)CN(c2ccc(C(=O)[O-])cc2)C1=O ZINC000004107598 342742593 /nfs/dbraw/zinc/74/25/93/342742593.db2.gz KWFCBMNDYWRWQZ-UHFFFAOYSA-N -1 0 219.240 1.758 50 0 BDAARM CCOc1cccc2c(O)c(C(=O)[O-])cnc12 ZINC000004136847 342743130 /nfs/dbraw/zinc/74/31/30/342743130.db2.gz QCWQXUIPKUUXKJ-UHFFFAOYSA-N -1 0 233.223 1.625 50 0 BDAARM O=C([O-])[C@H](O)c1ccc(Br)cc1F ZINC000004241752 342745220 /nfs/dbraw/zinc/74/52/20/342745220.db2.gz FAMRTHHQYMFCBD-SSDOTTSWSA-N -1 0 249.035 1.706 50 0 BDAARM CC(=O)Nc1cccc(-c2cc(C(=O)[O-])n[nH]2)c1 ZINC000004244826 342745358 /nfs/dbraw/zinc/74/53/58/342745358.db2.gz IDHZYXZLBDSPDE-UHFFFAOYSA-N -1 0 245.238 1.733 50 0 BDAARM CCC[C@H](NC(=O)c1ccco1)C(=O)[O-] ZINC000002489419 342721372 /nfs/dbraw/zinc/72/13/72/342721372.db2.gz PUKFQEGGUFUFMY-ZETCQYMHSA-N -1 0 211.217 1.263 50 0 BDAARM O=C([O-])[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000002520439 342722257 /nfs/dbraw/zinc/72/22/57/342722257.db2.gz ANLNOUYHIMXGKJ-VIFPVBQESA-N -1 0 239.658 1.778 50 0 BDAARM CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)[O-] ZINC000002527120 342722663 /nfs/dbraw/zinc/72/26/63/342722663.db2.gz CTDIKDIZNAGMFK-ZETCQYMHSA-N -1 0 247.316 1.424 50 0 BDAARM CC(C)(C)OC(=O)N1CC(CC(=O)[O-])C1 ZINC000002577454 342725238 /nfs/dbraw/zinc/72/52/38/342725238.db2.gz VEFHUWJIRFTGRB-UHFFFAOYSA-N -1 0 215.249 1.328 50 0 BDAARM CC(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000002579318 342725599 /nfs/dbraw/zinc/72/55/99/342725599.db2.gz OGMIMMRKTFZDKW-SNVBAGLBSA-N -1 0 205.213 1.049 50 0 BDAARM CCOc1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004582716 342749501 /nfs/dbraw/zinc/74/95/01/342749501.db2.gz LMTIUWRMRAZPEN-FPLPWBNLSA-N -1 0 235.239 1.665 50 0 BDAARM CCOc1ccccc1/C=C/C(=O)NCC(=O)[O-] ZINC000003062384 342729973 /nfs/dbraw/zinc/72/99/73/342729973.db2.gz QNXVIRHVMNRQBY-BQYQJAHWSA-N -1 0 249.266 1.299 50 0 biogenic BDAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)c(C)c1 ZINC000003084365 342730204 /nfs/dbraw/zinc/73/02/04/342730204.db2.gz QFVVRJNKLKAZNY-SNVBAGLBSA-N -1 0 233.267 1.741 50 0 BDAARM CCOc1cc(C(=O)CCC(=O)[O-])ccc1O ZINC000003250335 342732000 /nfs/dbraw/zinc/73/20/00/342732000.db2.gz HMFFSXFQTCZSLY-UHFFFAOYSA-N -1 0 238.239 1.838 50 0 BDAARM COc1ccc(OCc2n[n-]c(=S)o2)cc1 ZINC000003331438 342732634 /nfs/dbraw/zinc/73/26/34/342732634.db2.gz RMGYHGUVGLHBIF-UHFFFAOYSA-N -1 0 238.268 1.946 50 0 BDAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OC(C)C ZINC000003340137 342732700 /nfs/dbraw/zinc/73/27/00/342732700.db2.gz BUDAPQLSIBPJFI-UHFFFAOYSA-N -1 0 225.244 1.895 50 0 BDAARM O=C([O-])c1ccc(-c2ccccn2)nc1 ZINC000003651016 342735888 /nfs/dbraw/zinc/73/58/88/342735888.db2.gz LWMHPOLRJIRLPN-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM O=C([O-])c1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000004771615 342751777 /nfs/dbraw/zinc/75/17/77/342751777.db2.gz HLBJQGJKDNDEPD-UHFFFAOYSA-N -1 0 223.615 1.880 50 0 BDAARM CCOC(=O)c1nc(NC(=O)[C@H](C)CC)c[nH]1 ZINC000170614483 361876365 /nfs/dbraw/zinc/87/63/65/361876365.db2.gz LCVNGTPTFJYHHA-SSDOTTSWSA-N -1 0 239.275 1.571 50 0 BDAARM COc1cc(/C=C\C(=O)[O-])cc(OC)c1OC ZINC000005958493 342772127 /nfs/dbraw/zinc/77/21/27/342772127.db2.gz YTFVRYKNXDADBI-PLNGDYQASA-N -1 0 238.239 1.810 50 0 biogenic,in-vitro BDAARM O=C1NC(=O)[C@](c2ccccc2)(C(F)(F)F)N1 ZINC000006116331 342773752 /nfs/dbraw/zinc/77/37/52/342773752.db2.gz QQEXOAWOBWITDK-SECBINFHSA-N -1 0 244.172 1.284 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)NCc1ccccc1 ZINC000006746568 342781998 /nfs/dbraw/zinc/78/19/98/342781998.db2.gz KQIMITZVOIMIMV-NSHDSACASA-N -1 0 248.282 1.445 50 0 BDAARM CC(=O)Nc1ccccc1SCC(=O)[O-] ZINC000006857076 342784633 /nfs/dbraw/zinc/78/46/33/342784633.db2.gz JNBUZEDLPGRPFF-UHFFFAOYSA-N -1 0 225.269 1.822 50 0 BDAARM CCCc1nc(SC)ncc1C(=O)[O-] ZINC000006857902 342784641 /nfs/dbraw/zinc/78/46/41/342784641.db2.gz VAMILATXTPZCAB-UHFFFAOYSA-N -1 0 212.274 1.849 50 0 BDAARM Cc1cc(=O)c2ccccc2n1CC(=O)[O-] ZINC000008701735 342802818 /nfs/dbraw/zinc/80/28/18/342802818.db2.gz CEQXGGVRQFFJCA-UHFFFAOYSA-N -1 0 217.224 1.395 50 0 BDAARM O=c1nc2[nH]ccc(-c3ccccc3)c-2c(=O)[n-]1 ZINC000009134668 342808735 /nfs/dbraw/zinc/80/87/35/342808735.db2.gz ONJILXCRGNTKCN-UHFFFAOYSA-N -1 0 239.234 1.278 50 0 BDAARM O=c1[nH]c([O-])c(Cc2ccc(F)cc2)c(=O)[nH]1 ZINC000009138036 342808831 /nfs/dbraw/zinc/80/88/31/342808831.db2.gz GMRGYPUZVJJACN-UHFFFAOYSA-N -1 0 236.202 1.395 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000128594184 398288678 /nfs/dbraw/zinc/28/86/78/398288678.db2.gz KLWLTLSVYMVIRW-MXWKQRLJSA-N -1 0 237.299 1.498 50 0 BDAARM C[C@H](CN1C[C@@H](C(=O)[O-])CC1=O)c1ccccc1 ZINC000008732557 342803897 /nfs/dbraw/zinc/80/38/97/342803897.db2.gz PLFKPSVQQAHHQS-PWSUYJOCSA-N -1 0 247.294 1.723 50 0 BDAARM O=C([O-])c1cn(Cc2ccccc2)nn1 ZINC000008754364 342804383 /nfs/dbraw/zinc/80/43/83/342804383.db2.gz MIGIDQCWBSDLTO-UHFFFAOYSA-N -1 0 203.201 1.025 50 0 BDAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCO ZINC000009937365 342829953 /nfs/dbraw/zinc/82/99/53/342829953.db2.gz XTNDTHXQZPNHLD-UHFFFAOYSA-N -1 0 236.246 1.148 50 0 BDAARM CCC(CC)[C@@H](C(=O)[O-])N1CCOCC1 ZINC000041049881 168397194 /nfs/dbraw/zinc/39/71/94/168397194.db2.gz TXDUCGUOBULJKP-JTQLQIEISA-N -1 0 215.293 1.208 50 0 biogenic BDAARM CC(C)c1n[nH]c(SCC(=O)[O-])n1 ZINC000010494648 342836720 /nfs/dbraw/zinc/83/67/20/342836720.db2.gz VDIOBBLMXDLMPH-UHFFFAOYSA-N -1 0 201.251 1.105 50 0 BDAARM CN(CC(=O)[O-])c1ncnc2ccccc21 ZINC000011848531 342843760 /nfs/dbraw/zinc/84/37/60/342843760.db2.gz VMRPOERBOGLZBB-UHFFFAOYSA-N -1 0 217.228 1.151 50 0 BDAARM CC(C)(C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000011891244 342844324 /nfs/dbraw/zinc/84/43/24/342844324.db2.gz UPRYOSPWSCDFEL-QMMMGPOBSA-N -1 0 213.277 1.356 50 0 BDAARM COc1cc(F)c(F)cc1CC(=O)[O-] ZINC000012359258 342849927 /nfs/dbraw/zinc/84/99/27/342849927.db2.gz UYEGFRSSHGRVJF-UHFFFAOYSA-N -1 0 202.156 1.601 50 0 BDAARM Cc1nn(Cc2cccc(C(=O)[O-])c2)c(C)c1N ZINC000012396895 342851247 /nfs/dbraw/zinc/85/12/47/342851247.db2.gz OFHSPZPNSXNMHA-UHFFFAOYSA-N -1 0 245.282 1.829 50 0 BDAARM Cn1ccc(CNCc2ccc(C(=O)[O-])cc2)n1 ZINC000012399010 342851265 /nfs/dbraw/zinc/85/12/65/342851265.db2.gz LZPMVESVVYCQNT-UHFFFAOYSA-N -1 0 245.282 1.408 50 0 BDAARM CC(C)(C)OC(=O)NC12CC(C(=O)[O-])(C1)C2 ZINC000012506681 342852892 /nfs/dbraw/zinc/85/28/92/342852892.db2.gz CKXLBAVWWJDBHS-UHFFFAOYSA-N -1 0 227.260 1.518 50 0 BDAARM COc1cc(CC(=O)[O-])c(OC)c2c1OCO2 ZINC000015106260 342892334 /nfs/dbraw/zinc/89/23/34/342892334.db2.gz ZTXRVYMRIMMCML-UHFFFAOYSA-N -1 0 240.211 1.060 50 0 BDAARM CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000016697183 342914255 /nfs/dbraw/zinc/91/42/55/342914255.db2.gz BBSISPMRGFJLDI-QMMMGPOBSA-N -1 0 245.275 1.097 50 0 BDAARM CN(CC(=O)[O-])c1ccc(Cl)cn1 ZINC000019256289 342944558 /nfs/dbraw/zinc/94/45/58/342944558.db2.gz JXEHYXKQIRBXDX-UHFFFAOYSA-N -1 0 200.625 1.256 50 0 BDAARM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000019434960 342948612 /nfs/dbraw/zinc/94/86/12/342948612.db2.gz COHIMMPWCAHSFN-SFYZADRCSA-N -1 0 245.275 1.095 50 0 BDAARM O=C([O-])[C@H]1CSCN1C(=O)C1CCCC1 ZINC000019482576 342949448 /nfs/dbraw/zinc/94/94/48/342949448.db2.gz ZELXUMDRQDSOPX-MRVPVSSYSA-N -1 0 229.301 1.163 50 0 BDAARM CC[C@H](Oc1ccc(C=O)cc1)C(=O)[O-] ZINC000019887774 342961719 /nfs/dbraw/zinc/96/17/19/342961719.db2.gz NDEBXGQJHIQFSU-JTQLQIEISA-N -1 0 208.213 1.741 50 0 BDAARM O=C([O-])c1cnn(-c2ccccn2)c1C1CC1 ZINC000020082287 342968544 /nfs/dbraw/zinc/96/85/44/342968544.db2.gz QNXCBZBVGWLWCK-UHFFFAOYSA-N -1 0 229.239 1.843 50 0 BDAARM O=C([O-])c1ccc(O)c(Br)n1 ZINC000019924559 342963603 /nfs/dbraw/zinc/96/36/03/342963603.db2.gz OEOJATAPTVINKN-UHFFFAOYSA-N -1 0 218.006 1.248 50 0 BDAARM O=C([O-])c1ccc(-n2cccn2)c(F)c1 ZINC000020080175 342967803 /nfs/dbraw/zinc/96/78/03/342967803.db2.gz GMPXSUOBBQQHAC-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM CCOc1cccc2c1OC[C@@H](C(=O)[O-])C2 ZINC000020284465 342980248 /nfs/dbraw/zinc/98/02/48/342980248.db2.gz HXLKJFYRNADSBA-VIFPVBQESA-N -1 0 222.240 1.721 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000020284764 342980616 /nfs/dbraw/zinc/98/06/16/342980616.db2.gz HQGGJAWLHZDKLT-JTQLQIEISA-N -1 0 234.255 1.018 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000020284861 342980719 /nfs/dbraw/zinc/98/07/19/342980719.db2.gz ZNIKCBOCEIJMLK-QMMMGPOBSA-N -1 0 223.228 1.359 50 0 BDAARM O=C([O-])c1cnnn1Cc1ccccc1 ZINC000020438782 342985072 /nfs/dbraw/zinc/98/50/72/342985072.db2.gz VGHYXBIQQIKYEP-UHFFFAOYSA-N -1 0 203.201 1.025 50 0 BDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1C ZINC000022129929 343041172 /nfs/dbraw/zinc/04/11/72/343041172.db2.gz UKAGVVHRYCYKJP-WCQYABFASA-N -1 0 247.294 1.989 50 0 BDAARM COc1cc(C(C)=O)ccc1OCCC(=O)[O-] ZINC000021964743 343031651 /nfs/dbraw/zinc/03/16/51/343031651.db2.gz GZCAZDATCFYBEF-UHFFFAOYSA-N -1 0 238.239 1.751 50 0 BDAARM O=C([O-])c1cnc2onc(C3CC3)c2c1 ZINC000022221966 343044864 /nfs/dbraw/zinc/04/48/64/343044864.db2.gz YXAXOVMRWOBRAP-UHFFFAOYSA-N -1 0 204.185 1.798 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000000056437 187244468 /nfs/dbraw/zinc/24/44/68/187244468.db2.gz ZQEBQGAAWMOMAI-SSDOTTSWSA-N -1 0 215.249 1.471 50 0 biogenic BDAARM CC[C@H](CCC(=O)Nc1nncs1)C(=O)[O-] ZINC000000199154 187244008 /nfs/dbraw/zinc/24/40/08/187244008.db2.gz WJDFPAGLIZMSJU-ZCFIWIBFSA-N -1 0 243.288 1.368 50 0 BDAARM O=C(OCCO)c1ccc([O-])c(Cl)c1 ZINC000002028408 187245654 /nfs/dbraw/zinc/24/56/54/187245654.db2.gz FDMCADKIHAADLZ-UHFFFAOYSA-N -1 0 216.620 1.195 50 0 BDAARM COc1ccc(C(=O)C[C@H](C)C(=O)[O-])cc1 ZINC000002573622 187246136 /nfs/dbraw/zinc/24/61/36/187246136.db2.gz NYKZHPAJYHMOLD-QMMMGPOBSA-N -1 0 222.240 1.989 50 0 BDAARM CC(=O)Nc1cc(C)c(C(=O)[O-])c(C)c1 ZINC000001758502 187245389 /nfs/dbraw/zinc/24/53/89/187245389.db2.gz KKYBGKFZICNEDR-UHFFFAOYSA-N -1 0 207.229 1.960 50 0 BDAARM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000032010444 343228032 /nfs/dbraw/zinc/22/80/32/343228032.db2.gz MQUZAKABMZMHAH-WDEREUQCSA-N -1 0 205.257 1.941 50 0 BDAARM CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000019280512 187252236 /nfs/dbraw/zinc/25/22/36/187252236.db2.gz WJMPFDOUHHAYMH-UHFFFAOYSA-N -1 0 237.255 1.889 50 0 BDAARM CC1(C)[C@H](C(=O)Nc2ccccc2O)[C@@H]1C(=O)[O-] ZINC000034926294 343280290 /nfs/dbraw/zinc/28/02/90/343280290.db2.gz DXAGQZHCBYSYJF-VHSXEESVSA-N -1 0 249.266 1.688 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccc(C)c(F)c1 ZINC000036895361 343326740 /nfs/dbraw/zinc/32/67/40/343326740.db2.gz RPJIHGBALBJCIU-UHFFFAOYSA-N -1 0 249.245 1.975 50 0 BDAARM CCN(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000035347755 343294522 /nfs/dbraw/zinc/29/45/22/343294522.db2.gz CSLSZOVRYWBAAJ-UHFFFAOYSA-N -1 0 207.229 1.477 50 0 BDAARM Cc1[nH]c2ncccc2c1CCC(=O)[O-] ZINC000035569611 343297888 /nfs/dbraw/zinc/29/78/88/343297888.db2.gz ZHXHNDUVHOZKCW-UHFFFAOYSA-N -1 0 204.229 1.889 50 0 BDAARM O=C(O)c1c[n-]c2c(F)ccc(F)c2c1=O ZINC000035731176 343302789 /nfs/dbraw/zinc/30/27/89/343302789.db2.gz FQMPPOUNRNUMIQ-UHFFFAOYSA-N -1 0 225.150 1.917 50 0 BDAARM COc1ccc(NC(=O)/C(C)=C\C(=O)[O-])cc1 ZINC000019942703 187253483 /nfs/dbraw/zinc/25/34/83/187253483.db2.gz LVPLUXXIIFMLGF-FPLPWBNLSA-N -1 0 235.239 1.665 50 0 BDAARM CCOc1c(F)cc(F)cc1CC(=O)[O-] ZINC000038529933 343376427 /nfs/dbraw/zinc/37/64/27/343376427.db2.gz NVCUEIFWLPGJTK-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM CC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000032013823 187256467 /nfs/dbraw/zinc/25/64/67/187256467.db2.gz IHCHOLAAQUZREU-UHFFFAOYSA-N -1 0 221.256 1.510 50 0 BDAARM O=C([O-])c1nc(-c2cncnc2)ccc1Cl ZINC000032573357 187256590 /nfs/dbraw/zinc/25/65/90/187256590.db2.gz NEYKBXMNKXHKPC-UHFFFAOYSA-N -1 0 235.630 1.890 50 0 BDAARM Nc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000039085329 343381415 /nfs/dbraw/zinc/38/14/15/343381415.db2.gz YAAFWVJWMRAZOW-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM O=c1[n-]nc(-c2cccc(Br)c2)o1 ZINC000040435300 343402912 /nfs/dbraw/zinc/40/29/12/343402912.db2.gz ZVWSHDFGLFCEID-UHFFFAOYSA-N -1 0 241.044 1.792 50 0 BDAARM CC(C)N(C(=O)C(=O)[O-])c1ccc(F)cc1 ZINC000043215005 343466291 /nfs/dbraw/zinc/46/62/91/343466291.db2.gz FFKNXXCOXIZLJD-UHFFFAOYSA-N -1 0 225.219 1.652 50 0 in-vitro BDAARM Cc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1C ZINC000000534027 346987159 /nfs/dbraw/zinc/98/71/59/346987159.db2.gz VCIBIBCVUINVMU-VIFPVBQESA-N -1 0 236.271 1.898 50 0 biogenic BDAARM Cc1cc(C(=O)[O-])nc(C(F)(F)F)n1 ZINC000074188067 187277821 /nfs/dbraw/zinc/27/78/21/187277821.db2.gz VKOUHIRYZHKQOR-UHFFFAOYSA-N -1 0 206.123 1.502 50 0 BDAARM O=C([O-])CC(=O)Cc1ccccc1Cl ZINC000078691566 344101584 /nfs/dbraw/zinc/10/15/84/344101584.db2.gz RFUFPERQWYOWKM-UHFFFAOYSA-N -1 0 212.632 1.926 50 0 BDAARM CC(C)(C)n1ncc(C(=O)[O-])c1Cl ZINC000095933409 187288621 /nfs/dbraw/zinc/28/86/21/187288621.db2.gz YDBCDQQDDFYTSW-UHFFFAOYSA-N -1 0 202.641 1.990 50 0 BDAARM COc1cc(C(=O)[O-])c2ccc(=O)cc-2[nH]1 ZINC000004743278 344155864 /nfs/dbraw/zinc/15/58/64/344155864.db2.gz WUZQMYZUFHFZBI-UHFFFAOYSA-N -1 0 219.196 1.647 50 0 BDAARM CCN1C(=O)CC[C@@]2(C(=O)[O-])CCCC=C12 ZINC000085347675 344204732 /nfs/dbraw/zinc/20/47/32/344204732.db2.gz KKBXYJFENBYGBY-LBPRGKRZSA-N -1 0 223.272 1.768 50 0 BDAARM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000097035612 187290122 /nfs/dbraw/zinc/29/01/22/187290122.db2.gz WYGIVIKVGZISCX-WDEREUQCSA-N -1 0 239.315 1.744 50 0 BDAARM CC(=N)c1c([O-])c2ccccc2n(C)c1=O ZINC000100402023 187290601 /nfs/dbraw/zinc/29/06/01/187290601.db2.gz BJZLQGGZBBXOOQ-UHFFFAOYSA-N -1 0 216.240 1.632 50 0 BDAARM CCCCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000011638476 344395959 /nfs/dbraw/zinc/39/59/59/344395959.db2.gz LDNAMUPJSSBDIJ-VIFPVBQESA-N -1 0 213.277 1.642 50 0 BDAARM Cc1ccoc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000000216828 344644564 /nfs/dbraw/zinc/64/45/64/344644564.db2.gz FWOGBNQBGXLBMH-SECBINFHSA-N -1 0 237.255 1.667 50 0 BDAARM O=C([O-])c1cnc(OCCC(F)(F)F)cn1 ZINC000114691503 344731627 /nfs/dbraw/zinc/73/16/27/344731627.db2.gz NTCGBGWVHIVISB-UHFFFAOYSA-N -1 0 236.149 1.506 50 0 BDAARM CC(=O)N1CCC[C@]1(C(=O)[O-])c1ccccc1 ZINC000000229935 187298421 /nfs/dbraw/zinc/29/84/21/187298421.db2.gz HPDYRXSDZGHOHS-CYBMUJFWSA-N -1 0 233.267 1.609 50 0 BDAARM COC(=O)c1ccnc(C(F)(F)F)c1O ZINC000238411006 345042668 /nfs/dbraw/zinc/04/26/68/345042668.db2.gz DDUFWALHYOVZPJ-UHFFFAOYSA-N -1 0 221.134 1.593 50 0 BDAARM CC(=O)CSc1cccnc1C(=O)[O-] ZINC000000481467 187300987 /nfs/dbraw/zinc/30/09/87/187300987.db2.gz QXBVEQKNNIUQQL-UHFFFAOYSA-N -1 0 211.242 1.461 50 0 BDAARM C/C(=C\C(=O)NCc1ccccc1)C(=O)[O-] ZINC000000215646 187301083 /nfs/dbraw/zinc/30/10/83/187301083.db2.gz JHMJFXNHTIZANZ-VQHVLOKHSA-N -1 0 219.240 1.334 50 0 BDAARM CO[P@](=O)(CC(=O)[O-])c1ccccc1 ZINC000000200805 345526539 /nfs/dbraw/zinc/52/65/39/345526539.db2.gz WOMCCRPWMVUWIN-CQSZACIVSA-N -1 0 214.157 1.321 50 0 BDAARM CC(=O)Oc1ccc(CCC(=O)[O-])cc1 ZINC000000398684 187361189 /nfs/dbraw/zinc/36/11/89/187361189.db2.gz YQPHNMWXZLUIJX-UHFFFAOYSA-N -1 0 208.213 1.629 50 0 in-vitro BDAARM Cc1cccc(C(=O)N(CC(=O)[O-])C2CC2)n1 ZINC000037588432 179006163 /nfs/dbraw/zinc/00/61/63/179006163.db2.gz XHUYTYDZZPGXPC-UHFFFAOYSA-N -1 0 234.255 1.079 50 0 BDAARM Cc1cccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000062912758 179012143 /nfs/dbraw/zinc/01/21/43/179012143.db2.gz GXOXPFDWDWEGIQ-ZDUSSCGKSA-N -1 0 248.282 1.327 50 0 BDAARM CC(=O)[C@H]1[C@@H](CC(=O)[O-])C(C)(C)OC1(C)C ZINC000214074731 187318858 /nfs/dbraw/zinc/31/88/58/187318858.db2.gz HBEVASDIEQDACS-SCZZXKLOSA-N -1 0 228.288 1.870 50 0 BDAARM C[C@H](CC(=O)[O-])N1CCc2ccccc21 ZINC000035750824 346332048 /nfs/dbraw/zinc/33/20/48/346332048.db2.gz UPZNECUMVLUHKW-SECBINFHSA-N -1 0 205.257 1.912 50 0 BDAARM Cc1cccc(C2(C(=O)N[C@H](C)C(=O)[O-])CC2)c1 ZINC000262441576 179050255 /nfs/dbraw/zinc/05/02/55/179050255.db2.gz NMOBGHYLUNPPEE-SNVBAGLBSA-N -1 0 247.294 1.616 50 0 BDAARM Cc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000000317002 179123784 /nfs/dbraw/zinc/12/37/84/179123784.db2.gz FEIYFABONGDZKQ-SECBINFHSA-N -1 0 219.240 1.433 50 0 BDAARM Cc1cccc([C@H]2N[C@H](C(=O)[O-])CS2)n1 ZINC000096170782 179204856 /nfs/dbraw/zinc/20/48/56/179204856.db2.gz NWULAZSWWCOTGJ-IUCAKERBSA-N -1 0 224.285 1.178 50 0 BDAARM Cc1cccc2c1CCN2C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000240244214 179212780 /nfs/dbraw/zinc/21/27/80/179212780.db2.gz DKZFZUACFGPOCF-MNOVXSKESA-N -1 0 245.278 1.605 50 0 BDAARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1C ZINC000145348611 347388673 /nfs/dbraw/zinc/38/86/73/347388673.db2.gz FDHLDEIOCGPPFW-UHFFFAOYSA-N -1 0 211.173 1.610 50 0 BDAARM Cc1ccccc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000011890691 179246988 /nfs/dbraw/zinc/24/69/88/179246988.db2.gz XDXPQZCLBZNWBV-LLVKDONJSA-N -1 0 233.267 1.684 50 0 BDAARM Cc1ccccc1[C@H]1CN([C@@H](C)C(=O)[O-])CCO1 ZINC000237511143 179349756 /nfs/dbraw/zinc/34/97/56/179349756.db2.gz SZWKQYVKIWOBTQ-WCQYABFASA-N -1 0 249.310 1.841 50 0 BDAARM Cc1ccc(NC(=O)CCC(=O)[O-])nc1 ZINC000005394454 348817975 /nfs/dbraw/zinc/81/79/75/348817975.db2.gz GHXBZQABMIDKRC-UHFFFAOYSA-N -1 0 208.217 1.193 50 0 BDAARM Cc1nc(COc2ccc(C(=O)[O-])cc2)no1 ZINC000009791054 179979277 /nfs/dbraw/zinc/97/92/77/179979277.db2.gz UBHJYGQUXFIJJC-UHFFFAOYSA-N -1 0 234.211 1.655 50 0 BDAARM Cc1nc(OCC(F)(F)F)ncc1C(=O)[O-] ZINC000008699868 180029790 /nfs/dbraw/zinc/02/97/90/180029790.db2.gz GHZSDGVUUNOJBT-UHFFFAOYSA-N -1 0 236.149 1.424 50 0 BDAARM Cc1nn(C)c2nc(C)c(C(=O)[O-])cc12 ZINC000012879538 180070225 /nfs/dbraw/zinc/07/02/25/180070225.db2.gz WZWIHKVNALDKET-UHFFFAOYSA-N -1 0 205.217 1.283 50 0 BDAARM CC(C)(C)NC(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256521 538058317 /nfs/dbraw/zinc/05/83/17/538058317.db2.gz RYHJOLMBAPFSJH-UHFFFAOYSA-N -1 0 227.220 1.293 50 0 BDAARM CSc1ccccc1NC(=O)/C=C\C(=O)[O-] ZINC000033286365 350228817 /nfs/dbraw/zinc/22/88/17/350228817.db2.gz BVSYMRMSZGACBF-SREVYHEPSA-N -1 0 237.280 1.988 50 0 BDAARM Cc1nccn1C(=O)c1ccccc1C(=O)[O-] ZINC000000368466 180231484 /nfs/dbraw/zinc/23/14/84/180231484.db2.gz NZNSEDVIXKALDG-UHFFFAOYSA-N -1 0 230.223 1.578 50 0 BDAARM O=Cc1cnccc1-c1ccc(C(=O)[O-])o1 ZINC000725260996 538085623 /nfs/dbraw/zinc/08/56/23/538085623.db2.gz DOBFKDJKFGNSRF-UHFFFAOYSA-N -1 0 217.180 1.852 50 0 BDAARM Cc1nn(CCC(=O)[O-])cc1Br ZINC000002549484 180388050 /nfs/dbraw/zinc/38/80/50/180388050.db2.gz WNHCDPIIPNWRLY-UHFFFAOYSA-N -1 0 233.065 1.429 50 0 BDAARM CCCCCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000020362422 168635394 /nfs/dbraw/zinc/63/53/94/168635394.db2.gz FXZWYHLVUUFWJC-JTQLQIEISA-N -1 0 227.304 1.890 50 0 BDAARM Cc1noc(-c2ccco2)c1CC(=O)[O-] ZINC000072324014 180460096 /nfs/dbraw/zinc/46/00/96/180460096.db2.gz VHMVTXXCBADCMC-UHFFFAOYSA-N -1 0 207.185 1.870 50 0 BDAARM Cc1noc(COc2ccc(C(=O)[O-])cc2)n1 ZINC000020253489 180490507 /nfs/dbraw/zinc/49/05/07/180490507.db2.gz JKKJMIJFMZNRCM-UHFFFAOYSA-N -1 0 234.211 1.655 50 0 BDAARM CCn1nc(C)cc1NC(=O)CCCC(=O)[O-] ZINC000032610700 191134338 /nfs/dbraw/zinc/13/43/38/191134338.db2.gz ATLICPDNGPAAIJ-UHFFFAOYSA-N -1 0 239.275 1.405 50 0 BDAARM CC(=O)Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC000002165024 351993674 /nfs/dbraw/zinc/99/36/74/351993674.db2.gz VYNFFFRTAFAMCQ-UHFFFAOYSA-N -1 0 249.675 1.545 50 0 BDAARM O=C([O-])c1ccc(Cn2cncn2)cc1F ZINC000236489760 187910959 /nfs/dbraw/zinc/91/09/59/187910959.db2.gz UPWWXOOSRNWPCD-UHFFFAOYSA-N -1 0 221.191 1.164 50 0 BDAARM Cn1ncc2c1nc(C1CC1)cc2C(=O)[O-] ZINC000020328922 180821143 /nfs/dbraw/zinc/82/11/43/180821143.db2.gz GRXOHEXNROQVRY-UHFFFAOYSA-N -1 0 217.228 1.544 50 0 BDAARM O=C([O-])c1ncc(F)cc1Br ZINC000040566549 187944520 /nfs/dbraw/zinc/94/45/20/187944520.db2.gz JNOJGNTXRVBLGR-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM Cc1cc(C(=O)[O-])n2nc(C(F)(F)F)cc2n1 ZINC000012397009 187932157 /nfs/dbraw/zinc/93/21/57/187932157.db2.gz JSLOMZHLNUJZQT-UHFFFAOYSA-N -1 0 245.160 1.755 50 0 BDAARM COc1nccc(C(F)(F)F)c1C(=O)[O-] ZINC000043827505 187950306 /nfs/dbraw/zinc/95/03/06/187950306.db2.gz IVGQUVMWYGVJHX-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM C/C=C/C=C\C(=O)NCCCCC(=O)[O-] ZINC000219563686 188009206 /nfs/dbraw/zinc/00/92/06/188009206.db2.gz FTZUZFHVFNWNEG-SWBALALESA-N -1 0 211.261 1.490 50 0 BDAARM O=C([O-])C1(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000070531420 188048001 /nfs/dbraw/zinc/04/80/01/188048001.db2.gz CKFJYRNFHZLNFR-SECBINFHSA-N -1 0 247.250 1.101 50 0 BDAARM CC(C)c1nnc(SCC(=O)[O-])n1C1CC1 ZINC000012739617 353376705 /nfs/dbraw/zinc/37/67/05/353376705.db2.gz MMDXNPONOANBPR-UHFFFAOYSA-N -1 0 241.316 1.913 50 0 BDAARM Cc1ccc(NC(=O)[C@@H](C)C(=O)[O-])cn1 ZINC000165632062 353415636 /nfs/dbraw/zinc/41/56/36/353415636.db2.gz BAPVFCISZDLCPL-SSDOTTSWSA-N -1 0 208.217 1.049 50 0 BDAARM CCOC(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000008638025 355311791 /nfs/dbraw/zinc/31/17/91/355311791.db2.gz WZKXYWHCCNIXPN-UHFFFAOYSA-N -1 0 236.227 1.465 50 0 BDAARM CCSc1nn2c([n-]1)nc(C)c(CC)c2=O ZINC000018240878 363538235 /nfs/dbraw/zinc/53/82/35/363538235.db2.gz OHARIQSUTHFMLZ-UHFFFAOYSA-N -1 0 238.316 1.813 50 0 BDAARM COc1cccc(-c2noc(C)c2C(=O)[O-])n1 ZINC000675057821 538481034 /nfs/dbraw/zinc/48/10/34/538481034.db2.gz QBDAGVJRUBBEAJ-UHFFFAOYSA-N -1 0 234.211 1.752 50 0 BDAARM Cc1ccc(NS(=O)(=O)CC2CCC2)nc1 ZINC000095995758 538612611 /nfs/dbraw/zinc/61/26/11/538612611.db2.gz GTOICJVBLAPBQX-UHFFFAOYSA-N -1 0 240.328 1.354 50 0 BDAARM CC(=O)C=C1NN=C([S-])N1Cc1ccccc1 ZINC000075272960 356933349 /nfs/dbraw/zinc/93/33/49/356933349.db2.gz AQXYKQMUQSSWPI-UHFFFAOYSA-N -1 0 247.323 1.747 50 0 BDAARM O=C([O-])c1ccc(C(=O)NCC2CCC2)cc1 ZINC000035347302 357192389 /nfs/dbraw/zinc/19/23/89/357192389.db2.gz VLMBCLPYGBRBHI-UHFFFAOYSA-N -1 0 233.267 1.915 50 0 BDAARM CC(C)OCC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000232681310 357682265 /nfs/dbraw/zinc/68/22/65/357682265.db2.gz MVHMGTCTCDGIDK-MWLCHTKSSA-N -1 0 243.303 1.123 50 0 BDAARM O=C([O-])c1ccc(O)c(Br)c1 ZINC000002566180 358160236 /nfs/dbraw/zinc/16/02/36/358160236.db2.gz XMEQDAIDOBVHEK-UHFFFAOYSA-N -1 0 217.018 1.853 50 0 BDAARM O=C([O-])c1cc2c(cc1Cl)OCCO2 ZINC000004840634 360479039 /nfs/dbraw/zinc/47/90/39/360479039.db2.gz IUAKHISFLPLEBC-UHFFFAOYSA-N -1 0 214.604 1.809 50 0 BDAARM CC(C)C[C@H](C(=O)[O-])N1CCCCC1=O ZINC000034979040 200653602 /nfs/dbraw/zinc/65/36/02/200653602.db2.gz LAOWICUCZUETCI-SECBINFHSA-N -1 0 213.277 1.498 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCc1cccnc1 ZINC000061721231 200658752 /nfs/dbraw/zinc/65/87/52/200658752.db2.gz WKUDJIBRRJAJEL-ZJUUUORDSA-N -1 0 248.282 1.055 50 0 BDAARM Nc1cc(CC(=O)[O-])c(C(F)(F)F)cn1 ZINC000238656962 361171631 /nfs/dbraw/zinc/17/16/31/361171631.db2.gz WNGLAJGKWSGDOM-UHFFFAOYSA-N -1 0 220.150 1.310 50 0 BDAARM CN=c1sc2ccccc2n1CCC(=O)[O-] ZINC000252607859 364000943 /nfs/dbraw/zinc/00/09/43/364000943.db2.gz HFPPDPCKBNONFR-UHFFFAOYSA-N -1 0 236.296 1.708 50 0 BDAARM CC(C)[C@H](NC(=O)CC[C@@H]1CCCO1)C(=O)[O-] ZINC000037432863 364029223 /nfs/dbraw/zinc/02/92/23/364029223.db2.gz BYTMLOPCUWOLGL-ONGXEEELSA-N -1 0 243.303 1.171 50 0 BDAARM CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000037516612 364140659 /nfs/dbraw/zinc/14/06/59/364140659.db2.gz CEAFTXCGSLKSQD-GHMZBOCLSA-N -1 0 233.267 1.760 50 0 BDAARM O=C([O-])c1ccc(CN2CCC(=O)CC2)cc1 ZINC000011962430 370804392 /nfs/dbraw/zinc/80/43/92/370804392.db2.gz FCLAJFNVRMHCAB-UHFFFAOYSA-N -1 0 233.267 1.550 50 0 BDAARM CCn1cc(-c2noc(C)c2C(=O)[O-])cn1 ZINC000234270605 541512244 /nfs/dbraw/zinc/51/22/44/541512244.db2.gz BLPRMRWFXNEGGX-UHFFFAOYSA-N -1 0 221.216 1.565 50 0 BDAARM O=C([O-])c1ncc(-c2ccncc2)cn1 ZINC000143099077 541507883 /nfs/dbraw/zinc/50/78/83/541507883.db2.gz MFAPFGLAJPBAQH-UHFFFAOYSA-N -1 0 201.185 1.237 50 0 BDAARM O=C([O-])c1cc2cccc(O)c2oc1=O ZINC000004483566 368100142 /nfs/dbraw/zinc/10/01/42/368100142.db2.gz QIBIAGDWRHWFNP-UHFFFAOYSA-N -1 0 206.153 1.197 50 0 biogenic BDAARM Cc1ccccc1O/C(=C/C(=O)[O-])C(=O)[O-] ZINC000146245868 368394164 /nfs/dbraw/zinc/39/41/64/368394164.db2.gz NAUXWAWDRJZOCN-RMKNXTFCSA-N -1 0 222.196 1.427 50 0 BDAARM O=C([O-])c1ccc(CNC(=O)C2CC2)s1 ZINC000216153559 368401250 /nfs/dbraw/zinc/40/12/50/368401250.db2.gz MXXGTVBRDKONBL-UHFFFAOYSA-N -1 0 225.269 1.473 50 0 BDAARM CN(C)[C@@H](C(=O)[O-])c1noc2ccccc21 ZINC000114519925 368938658 /nfs/dbraw/zinc/93/86/58/368938658.db2.gz IVSKGCHNMFGSTB-SNVBAGLBSA-N -1 0 220.228 1.515 50 0 BDAARM CCOC(=O)c1cc2[n-]cnc(Cl)c-2n1 ZINC000238292867 369027270 /nfs/dbraw/zinc/02/72/70/369027270.db2.gz BPIURKULUNOLCK-UHFFFAOYSA-N -1 0 225.635 1.788 50 0 BDAARM O=c1[nH]c([O-])c(Cc2ccc(F)cc2)c(=O)[nH]1 ZINC000019535430 371160283 /nfs/dbraw/zinc/16/02/83/371160283.db2.gz PEWCWHRMTSAFDP-UHFFFAOYSA-N -1 0 236.202 1.323 50 0 BDAARM Nc1c2ccccc2ccc1S(=O)(=O)[O-] ZINC000001669725 181671498 /nfs/dbraw/zinc/67/14/98/181671498.db2.gz ONZWNZGVZFLMNZ-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccon1 ZINC000028225494 371581540 /nfs/dbraw/zinc/58/15/40/371581540.db2.gz JLJDDHYHKCOKFS-SFYZADRCSA-N -1 0 238.243 1.504 50 0 BDAARM O=C([O-])c1nccnc1N1CCCCC1 ZINC000032005313 372132974 /nfs/dbraw/zinc/13/29/74/372132974.db2.gz YVXJSFRBBSEDHV-UHFFFAOYSA-N -1 0 207.233 1.165 50 0 BDAARM O=C([O-])Cc1nonc1OCc1ccccc1 ZINC000141043362 372859363 /nfs/dbraw/zinc/85/93/63/372859363.db2.gz HGVCIBOLXLHDTR-UHFFFAOYSA-N -1 0 234.211 1.276 50 0 BDAARM O=C(NCCCc1ccccc1)c1cn[nH]n1 ZINC000108285005 182175878 /nfs/dbraw/zinc/17/58/78/182175878.db2.gz YIYJMYGLOMGNMA-UHFFFAOYSA-N -1 0 230.271 1.167 50 0 BDAARM CC(=O)N(c1nc(C)c(C(=O)[O-])s1)C1CC1 ZINC000041127932 374112615 /nfs/dbraw/zinc/11/26/15/374112615.db2.gz INBBQZHVTDKUDM-UHFFFAOYSA-N -1 0 240.284 1.665 50 0 BDAARM O=C(N[C@H](c1nnn[n-]1)C1CC1)c1ccccc1 ZINC000068575838 182325167 /nfs/dbraw/zinc/32/51/67/182325167.db2.gz YSMJJYHSLAYXNI-JTQLQIEISA-N -1 0 243.270 1.081 50 0 BDAARM O=C(Nc1[n-]c(=O)ncc1F)c1ccccc1 ZINC000001606759 182397728 /nfs/dbraw/zinc/39/77/28/182397728.db2.gz KCUPNJVFRBGYFW-UHFFFAOYSA-N -1 0 233.202 1.574 50 0 BDAARM O=C([O-])/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000012505141 182411336 /nfs/dbraw/zinc/41/13/36/182411336.db2.gz SMWOSZUZMNXRKC-VMPITWQZSA-N -1 0 231.251 1.911 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000000282894 182433885 /nfs/dbraw/zinc/43/38/85/182433885.db2.gz JMRKAGGCXDQMTC-UHFFFAOYSA-N -1 0 237.211 1.219 50 0 BDAARM O=C([O-])CCCCNC(=O)C1CCCCC1 ZINC000059138871 182436687 /nfs/dbraw/zinc/43/66/87/182436687.db2.gz QJDSIKBUWAFQTQ-UHFFFAOYSA-N -1 0 227.304 1.938 50 0 BDAARM O=C([O-])CCOCC(F)(F)C(F)F ZINC000034958317 182447882 /nfs/dbraw/zinc/44/78/82/182447882.db2.gz ZGNWNOOHLITDJW-UHFFFAOYSA-N -1 0 204.119 1.378 50 0 BDAARM O=C([O-])CCc1nc(C2CCCC2)no1 ZINC000037756641 182456012 /nfs/dbraw/zinc/45/60/12/182456012.db2.gz YXOSVETVWIGMOW-UHFFFAOYSA-N -1 0 210.233 1.744 50 0 BDAARM O=C([O-])CSCC(=O)Nc1ccc(F)cc1 ZINC000000100856 182472438 /nfs/dbraw/zinc/47/24/38/182472438.db2.gz HCXVWZPKHSIFDX-UHFFFAOYSA-N -1 0 243.259 1.582 50 0 BDAARM O=C([O-])[C@H](O)Cc1cccc(Cl)c1 ZINC000032009964 182527698 /nfs/dbraw/zinc/52/76/98/182527698.db2.gz LTPLLXQULCUYHJ-MRVPVSSYSA-N -1 0 200.621 1.328 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](c2cccs2)N1 ZINC000000054092 182519272 /nfs/dbraw/zinc/51/92/72/182519272.db2.gz ZUDFHYZUQCNUJF-FSPLSTOPSA-N -1 0 215.299 1.536 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NC1CC1 ZINC000002748806 182533634 /nfs/dbraw/zinc/53/36/34/182533634.db2.gz NESTZIIAJPVBHN-IUCAKERBSA-N -1 0 211.261 1.156 50 0 BDAARM O=C([O-])c1cc(Br)cc(F)c1O ZINC000020593709 182551695 /nfs/dbraw/zinc/55/16/95/182551695.db2.gz UKIJWZUOZRTSDX-UHFFFAOYSA-N -1 0 235.008 1.992 50 0 BDAARM O=C([O-])c1ccc(C(=O)NC2CCOCC2)cc1 ZINC000036320206 182564414 /nfs/dbraw/zinc/56/44/14/182564414.db2.gz QYTALLHAGLIHHW-UHFFFAOYSA-N -1 0 249.266 1.294 50 0 BDAARM O=C([O-])c1ccc(OC(F)F)nc1F ZINC000263625365 182571213 /nfs/dbraw/zinc/57/12/13/182571213.db2.gz ZGPVDOPPIHXVTO-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM O=C([O-])c1ccnc(-c2ccccn2)c1 ZINC000020357742 182584516 /nfs/dbraw/zinc/58/45/16/182584516.db2.gz FRYSEKUUHUUJPX-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM O=C([O-])c1ccn(-c2cc(F)cc(F)c2)n1 ZINC000034957525 182585262 /nfs/dbraw/zinc/58/52/62/182585262.db2.gz KZECBNPKDMPAEC-UHFFFAOYSA-N -1 0 224.166 1.849 50 0 BDAARM CCN(CCC(=O)[O-])c1cccc(OC)c1 ZINC000014001756 169818167 /nfs/dbraw/zinc/81/81/67/169818167.db2.gz HRTTZDJOYAFHGI-UHFFFAOYSA-N -1 0 223.272 1.996 50 0 BDAARM O=c1cn[n-]c(Nc2ccccc2Cl)n1 ZINC000009171951 183006802 /nfs/dbraw/zinc/00/68/02/183006802.db2.gz AAGORQRNFGFHMI-UHFFFAOYSA-N -1 0 222.635 1.562 50 0 BDAARM O=c1[nH][n-]c(C2CC2)c1Br ZINC000083284355 183304851 /nfs/dbraw/zinc/30/48/51/183304851.db2.gz KWOSDCMKVDIIDH-UHFFFAOYSA-N -1 0 203.039 1.755 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000034445231 166666257 /nfs/dbraw/zinc/66/62/57/166666257.db2.gz FEPYBSDCOQXJAI-DTWKUNHWSA-N -1 0 241.287 1.931 50 0 BDAARM O=C([O-])C1(c2ccccc2)CCOCC1 ZINC000000198763 383842365 /nfs/dbraw/zinc/84/23/65/383842365.db2.gz BWHJLSRDMNLSET-UHFFFAOYSA-N -1 0 206.241 1.819 50 0 biogenic BDAARM CCc1ccccc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000266680 383848121 /nfs/dbraw/zinc/84/81/21/383848121.db2.gz GFEHBRAXQVGPQH-JTQLQIEISA-N -1 0 233.267 1.687 50 0 BDAARM O=C([O-])CSc1nnc(-c2ccccc2)o1 ZINC000000272820 383851084 /nfs/dbraw/zinc/85/10/84/383851084.db2.gz VKPCKQCSWWCRFI-UHFFFAOYSA-N -1 0 236.252 1.913 50 0 BDAARM C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000351354 383855827 /nfs/dbraw/zinc/85/58/27/383855827.db2.gz FSBMSOUGCFEYBD-INEUFUBQSA-N -1 0 249.192 1.889 50 0 BDAARM O=C([O-])CSCc1nc2ccccc2[nH]1 ZINC000000394828 383863397 /nfs/dbraw/zinc/86/33/97/383863397.db2.gz BLUMZAJRPJMXSA-UHFFFAOYSA-N -1 0 222.269 1.881 50 0 BDAARM O=C([O-])CCNc1ccc(Cl)cn1 ZINC000000801650 383880631 /nfs/dbraw/zinc/88/06/31/383880631.db2.gz NRPAHEVMQSRBRL-UHFFFAOYSA-N -1 0 200.625 1.622 50 0 BDAARM O=C([O-])CC1CCN(CC(F)F)CC1 ZINC000035655600 383864888 /nfs/dbraw/zinc/86/48/88/383864888.db2.gz DFUVQEJYNQRCES-UHFFFAOYSA-N -1 0 207.220 1.438 50 0 BDAARM O=C([O-])CC[C@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000000395926 383864755 /nfs/dbraw/zinc/86/47/55/383864755.db2.gz IHSNQUNHINYDDN-JTQLQIEISA-N -1 0 237.255 1.094 50 0 biogenic BDAARM O=C([O-])CCNc1ncnc2ccccc21 ZINC000000118552 383829118 /nfs/dbraw/zinc/82/91/18/383829118.db2.gz PQPGVNNBHZWUBV-UHFFFAOYSA-N -1 0 217.228 1.516 50 0 BDAARM O=Cc1ccc(OC(F)(F)C(=O)[O-])cc1 ZINC000036878459 383917282 /nfs/dbraw/zinc/91/72/82/383917282.db2.gz QCWNOKOXNFYRSK-UHFFFAOYSA-N -1 0 216.139 1.555 50 0 BDAARM O=C([O-])CCC(=O)Nc1nc2ccccc2[nH]1 ZINC000001516328 383901804 /nfs/dbraw/zinc/90/18/04/383901804.db2.gz BAJILOQVAQUQQZ-UHFFFAOYSA-N -1 0 233.227 1.366 50 0 BDAARM CCc1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000008915113 383981727 /nfs/dbraw/zinc/98/17/27/383981727.db2.gz ZEZZRCMSJOZZMZ-UHFFFAOYSA-N -1 0 216.244 1.883 50 0 BDAARM Cc1ccc(CN(C)C(=O)C2(C(=O)[O-])CC2)o1 ZINC000050290875 383995519 /nfs/dbraw/zinc/99/55/19/383995519.db2.gz MYPZZAVKLHWLFY-UHFFFAOYSA-N -1 0 237.255 1.411 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)[C@@H]1c1ccccc1 ZINC000071773807 384000497 /nfs/dbraw/zinc/00/04/97/384000497.db2.gz XMXFTFOHICRWNP-GXSJLCMTSA-N -1 0 204.225 1.834 50 0 BDAARM O=C([O-])Cc1cc(F)cc2c1OCOC2 ZINC000004219174 384047852 /nfs/dbraw/zinc/04/78/52/384047852.db2.gz SKMRQOAUOJOYIN-UHFFFAOYSA-N -1 0 212.176 1.319 50 0 BDAARM CS(=O)(=O)c1ccc2cc(C(=O)[O-])[nH]c2c1 ZINC000004234965 384049310 /nfs/dbraw/zinc/04/93/10/384049310.db2.gz ORTLANQKWQFYJS-UHFFFAOYSA-N -1 0 239.252 1.270 50 0 BDAARM O=C1Nc2cc([O-])c(Br)cc2C1=O ZINC000307333120 384033025 /nfs/dbraw/zinc/03/30/25/384033025.db2.gz CQWQAWKRPSQAMJ-UHFFFAOYSA-N -1 0 242.028 1.290 50 0 BDAARM COC(=O)c1cc(=O)c2cccc(Cl)c2[n-]1 ZINC000038537095 384086706 /nfs/dbraw/zinc/08/67/06/384086706.db2.gz XFZKOZSDFPFCAF-UHFFFAOYSA-N -1 0 237.642 1.968 50 0 BDAARM O=C([O-])CCNC(=O)Nc1cccc(Cl)c1 ZINC000004343620 384058438 /nfs/dbraw/zinc/05/84/38/384058438.db2.gz NPKDBJRQVVIXEV-UHFFFAOYSA-N -1 0 242.662 1.936 50 0 BDAARM O=C([O-])c1ccc(Br)c(F)c1O ZINC000091252032 384112969 /nfs/dbraw/zinc/11/29/69/384112969.db2.gz JSWHARUAJCATOJ-UHFFFAOYSA-N -1 0 235.008 1.992 50 0 BDAARM O=C([O-])c1ccc(OC(F)(F)F)nc1 ZINC000091302177 384115797 /nfs/dbraw/zinc/11/57/97/384115797.db2.gz NNYMJNIRFKFWIW-UHFFFAOYSA-N -1 0 207.107 1.678 50 0 BDAARM O=C([O-])c1noc(-c2cc(F)cc(F)c2)n1 ZINC000071047853 384147579 /nfs/dbraw/zinc/14/75/79/384147579.db2.gz UNHVZQFUDJYAES-UHFFFAOYSA-N -1 0 226.138 1.713 50 0 BDAARM C[C@H](C(=O)[O-])N1CCO[C@@](C)(c2ccccc2)C1 ZINC000237445052 384202118 /nfs/dbraw/zinc/20/21/18/384202118.db2.gz WEBNQLFGAJNWOP-BXUZGUMPSA-N -1 0 249.310 1.707 50 0 BDAARM Cc1noc(C)c1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000042695049 384237270 /nfs/dbraw/zinc/23/72/70/384237270.db2.gz AADGXVFAHDRZCK-LURJTMIESA-N -1 0 240.259 1.084 50 0 BDAARM CCO[C@@H]1CCC[C@H]1N=c1nc(C)[n-]s1 ZINC000408519684 384276721 /nfs/dbraw/zinc/27/67/21/384276721.db2.gz QLTVOGFPSZGGAD-RKDXNWHRSA-N -1 0 227.333 1.638 50 0 BDAARM Cc1noc(-c2cccc(C(=O)[O-])c2)n1 ZINC000012370383 384314413 /nfs/dbraw/zinc/31/44/13/384314413.db2.gz QDXOPMMHYKGSJG-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)[O-] ZINC000011888974 384301836 /nfs/dbraw/zinc/30/18/36/384301836.db2.gz SFPYKWFRFTVWDH-BYPYZUCNSA-N -1 0 247.172 1.307 50 0 BDAARM C[C@]1(NC(=O)c2cccc(C(=O)[O-])c2)CCOC1 ZINC000164865017 384325812 /nfs/dbraw/zinc/32/58/12/384325812.db2.gz OTUOSKKXFSMSSH-ZDUSSCGKSA-N -1 0 249.266 1.294 50 0 BDAARM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)[O-] ZINC000019435823 384522031 /nfs/dbraw/zinc/52/20/31/384522031.db2.gz HKMOXOCWLLDWTN-IPWDFOCMSA-N -1 0 229.301 1.329 50 0 BDAARM O=C([O-])c1cccnc1OC(F)(F)F ZINC000097463360 384524046 /nfs/dbraw/zinc/52/40/46/384524046.db2.gz XUHDHRKJBUCYSC-UHFFFAOYSA-N -1 0 207.107 1.678 50 0 BDAARM O=C([O-])c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000050213480 384608386 /nfs/dbraw/zinc/60/83/86/384608386.db2.gz FSQWJZLVTKZYHB-UHFFFAOYSA-N -1 0 237.646 1.678 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1-n1cncn1 ZINC000050546247 384630935 /nfs/dbraw/zinc/63/09/35/384630935.db2.gz YUXYIVAMDIVYBL-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])c1cnc(OCC(F)(F)F)cn1 ZINC000070582530 384595465 /nfs/dbraw/zinc/59/54/65/384595465.db2.gz CENCSYPHQKYCJZ-UHFFFAOYSA-N -1 0 222.122 1.116 50 0 BDAARM CC(C)(C(=O)[O-])[C@H](O)c1cccc(O)c1 ZINC000052267533 384725473 /nfs/dbraw/zinc/72/54/73/384725473.db2.gz QJBIZXXUKJVWLK-SECBINFHSA-N -1 0 210.229 1.536 50 0 BDAARM CS(=O)(=O)Oc1cccc(CCC(=O)[O-])c1 ZINC000052508205 384737222 /nfs/dbraw/zinc/73/72/22/384737222.db2.gz MEKNOMNMKJBSKQ-UHFFFAOYSA-N -1 0 244.268 1.042 50 0 BDAARM Cc1nc(-c2cnn(C)c2)oc1C(=O)[O-] ZINC000084122761 384838789 /nfs/dbraw/zinc/83/87/89/384838789.db2.gz USJBPRAUIAHFNJ-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM O=C([O-])c1cccnc1OCC(F)F ZINC000084358085 384861417 /nfs/dbraw/zinc/86/14/17/384861417.db2.gz KTBYCMVQEFPSEY-UHFFFAOYSA-N -1 0 203.144 1.424 50 0 BDAARM CCc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])o1 ZINC000070310701 384991219 /nfs/dbraw/zinc/99/12/19/384991219.db2.gz FADWAHSKXHZKMM-MRVPVSSYSA-N -1 0 239.271 1.825 50 0 BDAARM CCOc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000087117295 385076063 /nfs/dbraw/zinc/07/60/63/385076063.db2.gz LUCPBXJXCASKCZ-UHFFFAOYSA-N -1 0 206.201 1.660 50 0 BDAARM O=C([O-])CNC(=O)CCc1c[nH]c2ccccc12 ZINC000005423113 385093961 /nfs/dbraw/zinc/09/39/61/385093961.db2.gz WPZHLFMFBBIAFZ-UHFFFAOYSA-N -1 0 246.266 1.301 50 0 BDAARM Nc1cc(C(=O)[O-])cc(Br)c1N ZINC000085386231 385152439 /nfs/dbraw/zinc/15/24/39/385152439.db2.gz HWUDRTKCFMUMNO-UHFFFAOYSA-N -1 0 231.049 1.312 50 0 BDAARM Cc1occc1S([O-])=CC(=O)c1ccc[nH]1 ZINC000189639557 385235940 /nfs/dbraw/zinc/23/59/40/385235940.db2.gz LTRJSBIIOVMQTC-INIZCTEOSA-N -1 0 237.280 1.907 50 0 BDAARM O=Cc1ccc(C(=O)[O-])cc1Br ZINC000034638968 385287897 /nfs/dbraw/zinc/28/78/97/385287897.db2.gz GBKQIFMNYQGCEJ-UHFFFAOYSA-N -1 0 229.029 1.960 50 0 BDAARM O=C([O-])CCC(=O)[C@H]1COc2ccccc2O1 ZINC000000518897 385398921 /nfs/dbraw/zinc/39/89/21/385398921.db2.gz NONVECXGZXUMCC-LLVKDONJSA-N -1 0 236.223 1.260 50 0 biogenic BDAARM CCc1ccccc1NC(=O)N[C@@H](C)C(=O)[O-] ZINC000000535074 385467223 /nfs/dbraw/zinc/46/72/23/385467223.db2.gz XXBHNGKMIKEUHN-QMMMGPOBSA-N -1 0 236.271 1.844 50 0 BDAARM Cc1cc(=O)n2nc(Cc3ccccc3)[n-]c2n1 ZINC000101203053 385567234 /nfs/dbraw/zinc/56/72/34/385567234.db2.gz RFLFDVURFLLSJG-UHFFFAOYSA-N -1 0 240.266 1.317 50 0 BDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000062912942 385620261 /nfs/dbraw/zinc/62/02/61/385620261.db2.gz FFTXYJSSNUKPPE-ZWNOBZJWSA-N -1 0 237.299 1.666 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000062912947 385620577 /nfs/dbraw/zinc/62/05/77/385620577.db2.gz QPEMIKKICBJAFT-GWCFXTLKSA-N -1 0 237.299 1.666 50 0 BDAARM CCCC[C@H](COC)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262377220 385688689 /nfs/dbraw/zinc/68/86/89/385688689.db2.gz HRBZRHKMXRDYKY-KXUCPTDWSA-N -1 0 243.303 1.029 50 0 BDAARM CC(C)c1occc1C(=O)NCC(=O)[O-] ZINC000263144720 385934602 /nfs/dbraw/zinc/93/46/02/385934602.db2.gz NBFCTWHXAWRTJJ-UHFFFAOYSA-N -1 0 211.217 1.217 50 0 BDAARM CC[C@@H](C(=O)[O-])n1ncnc1Br ZINC000223250579 386082489 /nfs/dbraw/zinc/08/24/89/386082489.db2.gz SHOSBEVTSSGVLN-BYPYZUCNSA-N -1 0 234.053 1.076 50 0 BDAARM O=C([O-])CCCNC(=O)c1ccccc1 ZINC000002008743 386659861 /nfs/dbraw/zinc/65/98/61/386659861.db2.gz BOZHPKGNNJPZKV-UHFFFAOYSA-N -1 0 207.229 1.281 50 0 in-vitro BDAARM Cn1cncc1-c1cccc(C(=O)[O-])n1 ZINC000074208961 386847232 /nfs/dbraw/zinc/84/72/32/386847232.db2.gz BKRNXWXLTKOJIN-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM C[C@H](CNC(=O)c1cc(Cl)c[nH]1)C(=O)[O-] ZINC000054309727 387345423 /nfs/dbraw/zinc/34/54/23/387345423.db2.gz YLFDANWYVKYJBG-RXMQYKEDSA-N -1 0 230.651 1.119 50 0 BDAARM CC(C)(C)CCC(=O)NCCCc1nnn[n-]1 ZINC000426726886 387588716 /nfs/dbraw/zinc/58/87/16/387588716.db2.gz NJNIVJNNBXQRJL-UHFFFAOYSA-N -1 0 239.323 1.075 50 0 BDAARM Cc1cc(C)cc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000000112614 177905985 /nfs/dbraw/zinc/90/59/85/177905985.db2.gz ZVYUEYJQRCOJDI-SNVBAGLBSA-N -1 0 233.267 1.741 50 0 BDAARM Cn1[n-]c(C(=O)NCCC2=CCCC2)cc1=O ZINC000521395333 387916023 /nfs/dbraw/zinc/91/60/23/387916023.db2.gz HEWRLFSRWQBOJE-UHFFFAOYSA-N -1 0 235.287 1.356 50 0 BDAARM C[C@H](NC(=O)CO[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000237565240 387926461 /nfs/dbraw/zinc/92/64/61/387926461.db2.gz ZEFLAYZRCCYHTE-LPEHRKFASA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CC(=O)[O-] ZINC000237562742 387926509 /nfs/dbraw/zinc/92/65/09/387926509.db2.gz RLAFDPNQCYDNGV-VHSXEESVSA-N -1 0 243.303 1.125 50 0 BDAARM Cc1cc(C)c(O)c(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000045953726 388003743 /nfs/dbraw/zinc/00/37/43/388003743.db2.gz MAQYZUJZKBQIRF-SECBINFHSA-N -1 0 249.266 1.447 50 0 BDAARM O=C([N-]c1nnc(-c2ccco2)o1)c1ccno1 ZINC000010254057 388107179 /nfs/dbraw/zinc/10/71/79/388107179.db2.gz CSBOEAHEDYAFAB-UHFFFAOYSA-N -1 0 246.182 1.570 50 0 BDAARM Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)[O-] ZINC000014113234 388216481 /nfs/dbraw/zinc/21/64/81/388216481.db2.gz CHOKSHBZZXFTEE-UXBLZVDNSA-N -1 0 248.217 1.203 50 0 BDAARM Cc1ccc2cc(C(=O)N[C@H](C)C(=O)[O-])[nH]c2c1 ZINC000089665880 388359203 /nfs/dbraw/zinc/35/92/03/388359203.db2.gz LFJPQZLQMNISJO-MRVPVSSYSA-N -1 0 246.266 1.679 50 0 BDAARM CC[C@]1(C)Cc2[nH]c(=O)c(C(=O)[O-])cc2CO1 ZINC000003984911 388390017 /nfs/dbraw/zinc/39/00/17/388390017.db2.gz IDVZPONJIJSXKY-GFCCVEGCSA-N -1 0 237.255 1.315 50 0 biogenic BDAARM O=C([O-])C=Cc1nc2ccccc2c(=O)[nH]1 ZINC000017060314 388391194 /nfs/dbraw/zinc/39/11/94/388391194.db2.gz VSHQCDJWFSXEDO-WAYWQWQTSA-N -1 0 216.196 1.021 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716411 388587586 /nfs/dbraw/zinc/58/75/86/388587586.db2.gz YRFMVAXFNKFRJS-LDYMZIIASA-N -1 0 233.267 1.657 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1Cc2ccccc21 ZINC000224817901 256861115 /nfs/dbraw/zinc/86/11/15/256861115.db2.gz VGBIQGXZLIOSPU-MVWJERBFSA-N -1 0 245.278 1.163 50 0 BDAARM Cc1cc(C)c(NC(=O)c2cn[nH]n2)c(C)c1 ZINC000093668432 388744966 /nfs/dbraw/zinc/74/49/66/388744966.db2.gz BFQVBKBLSUAGHQ-UHFFFAOYSA-N -1 0 230.271 1.982 50 0 BDAARM Cc1ccc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000095961811 388795660 /nfs/dbraw/zinc/79/56/60/388795660.db2.gz VRDAPWUWOORNQN-RYUDHWBXSA-N -1 0 247.294 1.978 50 0 BDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000095989509 388799155 /nfs/dbraw/zinc/79/91/55/388799155.db2.gz XJNPCSPKJWDWMT-JMJZKYOTSA-N -1 0 239.315 1.602 50 0 BDAARM CCc1cc(C)c(C(=O)N(CC)CC(=O)[O-])o1 ZINC000095989429 388800411 /nfs/dbraw/zinc/80/04/11/388800411.db2.gz PWFCDRPOFJTGBK-UHFFFAOYSA-N -1 0 239.271 1.697 50 0 BDAARM O=C([O-])CN(C(=O)C1CCCC1)C1CC1 ZINC000037473687 388873804 /nfs/dbraw/zinc/87/38/04/388873804.db2.gz UKPGTEBIUGQXAR-UHFFFAOYSA-N -1 0 211.261 1.252 50 0 BDAARM CCN(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000096479768 169667793 /nfs/dbraw/zinc/66/77/93/169667793.db2.gz IFPUIKDSORYBMC-UHFFFAOYSA-N -1 0 235.283 1.796 50 0 BDAARM O=C([O-])C1=NN(c2ccccc2)C(=O)CC1 ZINC000001426679 132314191 /nfs/dbraw/zinc/31/41/91/132314191.db2.gz YVKMCSMHVJNAAM-UHFFFAOYSA-N -1 0 218.212 1.254 50 0 BDAARM Cc1c(C(=O)[O-])cccc1N1CCOCC1 ZINC000004245083 132316533 /nfs/dbraw/zinc/31/65/33/132316533.db2.gz SYRWDAQJCORHSV-UHFFFAOYSA-N -1 0 221.256 1.530 50 0 BDAARM Cc1cncc(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000012370614 132321024 /nfs/dbraw/zinc/32/10/24/132321024.db2.gz TTWSTFTZNIMXTA-VIFPVBQESA-N -1 0 221.260 1.086 50 0 BDAARM CN1c2ccccc2S[C@@](C)(C(=O)[O-])C1=O ZINC000032500681 132335180 /nfs/dbraw/zinc/33/51/80/132335180.db2.gz CNNINDFYZIMGFO-LLVKDONJSA-N -1 0 237.280 1.598 50 0 BDAARM CC1CCN(c2nccc(C(=O)[O-])n2)CC1 ZINC000032918402 132335864 /nfs/dbraw/zinc/33/58/64/132335864.db2.gz WIBYGRGTBJYLOU-UHFFFAOYSA-N -1 0 221.260 1.411 50 0 BDAARM C[C@H]1COc2ccc(C(=O)[O-])cc2N1C ZINC000045795912 132354650 /nfs/dbraw/zinc/35/46/50/132354650.db2.gz ALXUVNKYRSRFEY-ZETCQYMHSA-N -1 0 207.229 1.602 50 0 BDAARM O=C([O-])C1=NN(c2cccc(F)c2)C(=O)CC1 ZINC000049668112 132356267 /nfs/dbraw/zinc/35/62/67/132356267.db2.gz FPNHUQVCYMUWJU-UHFFFAOYSA-N -1 0 236.202 1.393 50 0 BDAARM C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)[C@H]1C ZINC000238850885 134849948 /nfs/dbraw/zinc/84/99/48/134849948.db2.gz DFUFTEQOJINPSJ-RCWTZXSCSA-N -1 0 239.315 1.744 50 0 BDAARM Cc1ccccc1OCC(=O)NC1(C(=O)[O-])CC1 ZINC000203665359 134863804 /nfs/dbraw/zinc/86/38/04/134863804.db2.gz BUNUNUQTRPMFLM-UHFFFAOYSA-N -1 0 249.266 1.107 50 0 BDAARM O=C([O-])[C@]1(F)CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000262693538 135314167 /nfs/dbraw/zinc/31/41/67/135314167.db2.gz APLUAOXUDVKNNG-SKDRFNHKSA-N -1 0 241.262 1.368 50 0 BDAARM O=C([O-])CCNc1nnc(-c2ccon2)s1 ZINC000263454046 135355263 /nfs/dbraw/zinc/35/52/63/135355263.db2.gz AJKHRBZOPOSMPH-UHFFFAOYSA-N -1 0 240.244 1.080 50 0 BDAARM C[C@](O)(CNc1ncc(Cl)cc1F)C(=O)[O-] ZINC000263547998 135359500 /nfs/dbraw/zinc/35/95/00/135359500.db2.gz IMVLRXGADWPQPO-VIFPVBQESA-N -1 0 248.641 1.122 50 0 BDAARM CC[C@H](C(=O)[O-])N1CCO[C@@H](C(C)C)C1 ZINC000263581670 135361083 /nfs/dbraw/zinc/36/10/83/135361083.db2.gz XMNRRCIFLQEPFX-NXEZZACHSA-N -1 0 215.293 1.206 50 0 BDAARM O=C([O-])c1ccc(Cn2cncn2)cc1 ZINC000004277406 397923471 /nfs/dbraw/zinc/92/34/71/397923471.db2.gz DJXUEFGFCMIONN-UHFFFAOYSA-N -1 0 203.201 1.025 50 0 BDAARM CC(C)COC(=O)N1CCC(C(=O)[O-])CC1 ZINC000019815896 167021565 /nfs/dbraw/zinc/02/15/65/167021565.db2.gz VRAMYYGDTFWZHI-UHFFFAOYSA-N -1 0 229.276 1.576 50 0 BDAARM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000021951928 166546292 /nfs/dbraw/zinc/54/62/92/166546292.db2.gz ICGZUNNKSIRQNH-QMMMGPOBSA-N -1 0 213.277 1.498 50 0 BDAARM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000032627110 166638440 /nfs/dbraw/zinc/63/84/40/166638440.db2.gz GNFFMTLNRGEWKJ-UHFFFAOYSA-N -1 0 247.272 1.055 50 0 BDAARM CC(C)NC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000020209177 167075970 /nfs/dbraw/zinc/07/59/70/167075970.db2.gz UKYTVDGCEZQLSZ-SNVBAGLBSA-N -1 0 236.271 1.520 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nccs1 ZINC000079124164 168005328 /nfs/dbraw/zinc/00/53/28/168005328.db2.gz LYWNCSZRGOAWHN-WDSKDSINSA-N -1 0 240.284 1.438 50 0 BDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cccc(C)c1 ZINC000004235150 169946142 /nfs/dbraw/zinc/94/61/42/169946142.db2.gz KUIOWASZZVAXFA-YPMHNXCESA-N -1 0 247.294 1.989 50 0 BDAARM CCNC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000019094374 170091696 /nfs/dbraw/zinc/09/16/96/170091696.db2.gz KUBXPGRPHGZSAH-UFBFGSQYSA-N -1 0 227.304 1.650 50 0 BDAARM CCOC(=O)C1CC2(CC(C(=O)[O-])C2)C1 ZINC000001704974 170191934 /nfs/dbraw/zinc/19/19/34/170191934.db2.gz WVRRUMOGIHGDNI-UHFFFAOYSA-N -1 0 212.245 1.441 50 0 BDAARM CCOC(=O)CNc1ccc(C(=O)[O-])cc1 ZINC000003099982 170227157 /nfs/dbraw/zinc/22/71/57/170227157.db2.gz XKROMXNHACRNPA-UHFFFAOYSA-N -1 0 223.228 1.360 50 0 BDAARM CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC000004105998 170234424 /nfs/dbraw/zinc/23/44/24/170234424.db2.gz KQSJKIFUOUFTQO-UHFFFAOYSA-N -1 0 247.250 1.972 50 0 BDAARM CCOC(=O)C(=C(C)[O-])C(=O)c1ccccc1 ZINC000100038470 170264026 /nfs/dbraw/zinc/26/40/26/170264026.db2.gz CMJWTVYVMCEPGG-LLVKDONJSA-N -1 0 234.251 1.638 50 0 BDAARM CCOC(=O)c1c(C)[nH]cc1CCC(=O)[O-] ZINC000022009896 170288341 /nfs/dbraw/zinc/28/83/41/170288341.db2.gz QKKNFEZKVKMSGW-UHFFFAOYSA-N -1 0 225.244 1.517 50 0 BDAARM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000019258941 170678149 /nfs/dbraw/zinc/67/81/49/170678149.db2.gz BGYPWZQLAHUGGX-BDAKNGLRSA-N -1 0 213.277 1.356 50 0 BDAARM CC[C@H](C(=O)[O-])[S@@](=O)c1ccccc1 ZINC000040955171 171238937 /nfs/dbraw/zinc/23/89/37/171238937.db2.gz JRSLIZYFMPWEEY-YMTOWFKASA-N -1 0 212.270 1.657 50 0 BDAARM CC1(C)Cc2sc(=N[N+](=O)[O-])[n-]c2C(=O)C1 ZINC000004321517 412331298 /nfs/dbraw/zinc/33/12/98/412331298.db2.gz ILWGQMAUAOPZMC-UHFFFAOYSA-N -1 0 241.272 1.902 50 0 BDAARM CCc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000061923 171816701 /nfs/dbraw/zinc/81/67/01/171816701.db2.gz DFTUTKZCUVWXKB-SNVBAGLBSA-N -1 0 233.267 1.687 50 0 BDAARM CCc1ccccc1-n1cc(O)c(C(=O)[O-])n1 ZINC000034959260 171870731 /nfs/dbraw/zinc/87/07/31/171870731.db2.gz ARTCTQOJUBWBNM-UHFFFAOYSA-N -1 0 232.239 1.839 50 0 BDAARM CCn1nc(C(=O)[O-])c(=O)c2ccccc21 ZINC000039225309 172240827 /nfs/dbraw/zinc/24/08/27/172240827.db2.gz NJQWKPUMNAVRLV-UHFFFAOYSA-N -1 0 218.212 1.115 50 0 BDAARM CN(C(=O)C1CC1)c1ccccc1C(=O)[O-] ZINC000003200170 172297882 /nfs/dbraw/zinc/29/78/82/172297882.db2.gz AWOJOHWMTXGZED-UHFFFAOYSA-N -1 0 219.240 1.758 50 0 BDAARM CN(C(=O)OC(C)(C)C)C1(C(=O)[O-])CCC1 ZINC000069550907 172324445 /nfs/dbraw/zinc/32/44/45/172324445.db2.gz QVXRQDKLDKWIMG-UHFFFAOYSA-N -1 0 229.276 1.861 50 0 BDAARM CN1C(=O)CC[C@@]2(C(=O)[O-])CCCC=C12 ZINC000169676677 172962241 /nfs/dbraw/zinc/96/22/41/172962241.db2.gz QIIPYAGAFHZQRS-NSHDSACASA-N -1 0 209.245 1.377 50 0 BDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000013727319 172965224 /nfs/dbraw/zinc/96/52/24/172965224.db2.gz OWKGDEDCXQCCSO-ONGXEEELSA-N -1 0 219.240 1.291 50 0 BDAARM CN1CCc2nc3ccccc3c(C(=O)[O-])c2C1 ZINC000000216500 173174793 /nfs/dbraw/zinc/17/47/93/173174793.db2.gz YJLLXEJOXOYNGU-UHFFFAOYSA-N -1 0 242.278 1.921 50 0 BDAARM CNC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000011919765 173299648 /nfs/dbraw/zinc/29/96/48/173299648.db2.gz OLOKREPGYJVILA-WRWORJQWSA-N -1 0 213.277 1.260 50 0 BDAARM CNC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000011919764 173308460 /nfs/dbraw/zinc/30/84/60/173308460.db2.gz OLOKREPGYJVILA-HQJQHLMTSA-N -1 0 213.277 1.260 50 0 BDAARM COc1c(N)c(C(=O)[O-])ccc1Cl ZINC000042391841 174930389 /nfs/dbraw/zinc/93/03/89/174930389.db2.gz ROZMFBIJUPYBAC-UHFFFAOYSA-N -1 0 201.609 1.629 50 0 BDAARM COc1cc(C(=O)[O-])ccc1OC1COC1 ZINC000071791993 174950652 /nfs/dbraw/zinc/95/06/52/174950652.db2.gz NYZOWXVJIGBQJA-UHFFFAOYSA-N -1 0 224.212 1.171 50 0 BDAARM COc1ccc(-c2noc(CC(=O)[O-])n2)cc1 ZINC000020269094 175042050 /nfs/dbraw/zinc/04/20/50/175042050.db2.gz UVXCILZQOWDSRU-UHFFFAOYSA-N -1 0 234.211 1.372 50 0 BDAARM COc1ccc(/C=C/C(=O)[O-])c(OC)c1 ZINC000000149358 175047130 /nfs/dbraw/zinc/04/71/30/175047130.db2.gz YIKHDPHTFYWYJV-GQCTYLIASA-N -1 0 208.213 1.802 50 0 biogenic BDAARM COc1ccc(C([O-])=CC(C)=O)cc1OC ZINC000016138746 175053518 /nfs/dbraw/zinc/05/35/18/175053518.db2.gz WIPDJSMZXOYFOO-UHFFFAOYSA-N -1 0 222.240 1.866 50 0 BDAARM COc1ccc(C(=O)N2C=CC=CC(=O)[N-]2)cc1 ZINC000000381736 175055316 /nfs/dbraw/zinc/05/53/16/175055316.db2.gz QKGUREZVYFSKBM-UHFFFAOYSA-N -1 0 244.250 1.252 50 0 BDAARM COc1ccc(C2(C(=O)[O-])COC2)cc1 ZINC000076641675 175083327 /nfs/dbraw/zinc/08/33/27/175083327.db2.gz BCONDYAMTZSZNI-UHFFFAOYSA-N -1 0 208.213 1.048 50 0 BDAARM COc1ccc(CC(=O)[O-])c(F)c1OC ZINC000002524834 175087436 /nfs/dbraw/zinc/08/74/36/175087436.db2.gz RAXDCPIEIZUGRH-UHFFFAOYSA-N -1 0 214.192 1.470 50 0 BDAARM COc1ccc(CNC(=O)CCC(=O)[O-])cc1 ZINC000000386813 175104225 /nfs/dbraw/zinc/10/42/25/175104225.db2.gz UCWWQJUWQZSRDW-UHFFFAOYSA-N -1 0 237.255 1.176 50 0 BDAARM COc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000039364 175141955 /nfs/dbraw/zinc/14/19/55/175141955.db2.gz ROTYPWQVVUPAQG-UHFFFAOYSA-N -1 0 237.255 1.889 50 0 BDAARM COc1ccc(NC(C)=O)c(C(=O)[O-])c1 ZINC000000134025 175148677 /nfs/dbraw/zinc/14/86/77/175148677.db2.gz PNPVAHPGYGAYIP-UHFFFAOYSA-N -1 0 209.201 1.352 50 0 BDAARM COc1ccc(OC(=O)CC(=O)[O-])cc1 ZINC000001384827 175163025 /nfs/dbraw/zinc/16/30/25/175163025.db2.gz PARCBQAPEJAIQF-UHFFFAOYSA-N -1 0 210.185 1.075 50 0 BDAARM COc1ccc2c(c1)OC[C@@H](C(=O)[O-])C2 ZINC000047843781 175212746 /nfs/dbraw/zinc/21/27/46/175212746.db2.gz SVDWMRTZSYORGU-QMMMGPOBSA-N -1 0 208.213 1.331 50 0 BDAARM COc1ccc2c(c1)OCC(C(=O)[O-])=C2 ZINC000002599383 175212949 /nfs/dbraw/zinc/21/29/49/175212949.db2.gz AYKKNCZWZNXBGY-UHFFFAOYSA-N -1 0 206.197 1.556 50 0 BDAARM COc1ccc2c(c1)c(C=O)cn2CC(=O)[O-] ZINC000011919692 175217888 /nfs/dbraw/zinc/21/78/88/175217888.db2.gz JYRWZDUJNNTMMI-UHFFFAOYSA-N -1 0 233.223 1.547 50 0 biogenic BDAARM COc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000020475906 175238219 /nfs/dbraw/zinc/23/82/19/175238219.db2.gz AMAOKRAYAGBQRE-UHFFFAOYSA-N -1 0 218.212 1.579 50 0 BDAARM COc1cccc(/C=C/C(=O)[O-])c1OC ZINC000000153647 175240823 /nfs/dbraw/zinc/24/08/23/175240823.db2.gz QAXPUWGAGVERSJ-VOTSOKGWSA-N -1 0 208.213 1.802 50 0 biogenic BDAARM COc1ccccc1-n1cc(C(=O)[O-])cn1 ZINC000002559666 175312555 /nfs/dbraw/zinc/31/25/55/175312555.db2.gz GETIPSHEOZTBRP-UHFFFAOYSA-N -1 0 218.212 1.579 50 0 BDAARM COc1ccccc1C(=O)N[C@H](C)CC(=O)[O-] ZINC000036966802 175318711 /nfs/dbraw/zinc/31/87/11/175318711.db2.gz IOWKUGWVPJNEOM-MRVPVSSYSA-N -1 0 237.255 1.288 50 0 BDAARM COc1ccccc1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000000266677 175328193 /nfs/dbraw/zinc/32/81/93/175328193.db2.gz HUZIUKRMHVQZMF-JTQLQIEISA-N -1 0 249.266 1.128 50 0 BDAARM C[C@@H](CCC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000039078581 175659171 /nfs/dbraw/zinc/65/91/71/175659171.db2.gz QQPIBROBPGIYKT-QMMMGPOBSA-N -1 0 247.250 1.536 50 0 BDAARM C[C@@H](SC(=S)N1CCCC1)C(=O)[O-] ZINC000000241112 176006941 /nfs/dbraw/zinc/00/69/41/176006941.db2.gz HKLKLWSFCZPILB-ZCFIWIBFSA-N -1 0 219.331 1.573 50 0 BDAARM C[C@@H]1CCC[C@H](NC(=O)CCC(=O)[O-])[C@@H]1C ZINC000004601942 176141540 /nfs/dbraw/zinc/14/15/40/176141540.db2.gz IVWRIOWFEJWQBO-BBBLOLIVSA-N -1 0 227.304 1.792 50 0 BDAARM C[C@@H]1CCc2c(cnc3c(C(=O)[O-])cnn32)C1 ZINC000020864522 176239130 /nfs/dbraw/zinc/23/91/30/176239130.db2.gz ARKOPPKVXDNAJQ-SSDOTTSWSA-N -1 0 231.255 1.552 50 0 BDAARM C[C@H](O)C[C@H](Sc1ccccn1)C(=O)[O-] ZINC000040498055 177001589 /nfs/dbraw/zinc/00/15/89/177001589.db2.gz IFGCWRPBGGNIDR-YUMQZZPRSA-N -1 0 227.285 1.398 50 0 BDAARM C[C@H](Oc1cccc2c(=O)[nH]ccc12)C(=O)[O-] ZINC000036690019 177023868 /nfs/dbraw/zinc/02/38/68/177023868.db2.gz FMVZCHNNXNZHBS-ZETCQYMHSA-N -1 0 233.223 1.380 50 0 BDAARM C[C@@H]1CCC[C@H](C)N1C(=O)CCC(=O)[O-] ZINC000004298564 177115253 /nfs/dbraw/zinc/11/52/53/177115253.db2.gz ZTFWHVOFAVHCDK-DTORHVGOSA-N -1 0 213.277 1.641 50 0 BDAARM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC000020283520 177262005 /nfs/dbraw/zinc/26/20/05/177262005.db2.gz VOQFHFKQLBBNMR-JTQLQIEISA-N -1 0 235.283 1.606 50 0 BDAARM C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000351351 177309510 /nfs/dbraw/zinc/30/95/10/177309510.db2.gz FSBMSOUGCFEYBD-NJGYIYPDSA-N -1 0 249.192 1.889 50 0 BDAARM C[C@H]1Cc2ccccc2CN1C(=O)C(=O)[O-] ZINC000083888134 177389421 /nfs/dbraw/zinc/38/94/21/177389421.db2.gz LUMABZPKMQYXAZ-QMMMGPOBSA-N -1 0 219.240 1.044 50 0 BDAARM C[C@](O)(CSc1ccc(F)cc1)C(=O)[O-] ZINC000021991892 177451866 /nfs/dbraw/zinc/45/18/66/177451866.db2.gz CTYJERNWLVBMTF-JTQLQIEISA-N -1 0 230.260 1.753 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccco2)C1 ZINC000062912635 177457757 /nfs/dbraw/zinc/45/77/57/177457757.db2.gz HEVRXCAEZQDESV-NSHDSACASA-N -1 0 223.228 1.216 50 0 BDAARM O=C([O-])c1cnn2cc(Br)cnc12 ZINC000034924676 487673156 /nfs/dbraw/zinc/67/31/56/487673156.db2.gz OKAAFIKHHROVHN-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM Cc1noc(C)c1CN1CCC[C@@H]1C(=O)[O-] ZINC000034925072 487673391 /nfs/dbraw/zinc/67/33/91/487673391.db2.gz WNRJQVYDTWFURB-SNVBAGLBSA-N -1 0 224.260 1.340 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)[O-])C1 ZINC000258147862 323948146 /nfs/dbraw/zinc/94/81/46/323948146.db2.gz ZTDXVQFLZHPSJK-HTQZYQBOSA-N -1 0 247.266 1.666 50 0 BDAARM O=C([O-])[C@H]1CCc2nnn(C3CCCC3)c2C1 ZINC000536948760 323950405 /nfs/dbraw/zinc/95/04/05/323950405.db2.gz QCVDTIKTDICWMG-QMMMGPOBSA-N -1 0 235.287 1.583 50 0 BDAARM CCO[C@@H](CC)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136108846 325441560 /nfs/dbraw/zinc/44/15/60/325441560.db2.gz NUZHGKDVRDZOOK-ZJUUUORDSA-N -1 0 243.303 1.125 50 0 BDAARM C=CCOC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])[nH]1 ZINC000075104877 490514580 /nfs/dbraw/zinc/51/45/80/490514580.db2.gz AZEORJSZNNSUNR-VURMDHGXSA-N -1 0 246.222 1.349 50 0 BDAARM C[C@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000229331289 490562387 /nfs/dbraw/zinc/56/23/87/490562387.db2.gz QJEOIFCLEJKNLQ-QMMMGPOBSA-N -1 0 233.267 1.835 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000236677660 519711300 /nfs/dbraw/zinc/71/13/00/519711300.db2.gz RYHUPMCDMVULLF-MNOVXSKESA-N -1 0 239.315 1.602 50 0 BDAARM O=C([O-])c1ccc(C=NNC(=O)C2CC2)cc1 ZINC000020457379 590114996 /nfs/dbraw/zinc/11/49/96/590114996.db2.gz BIVAFFFFNVKRRC-UHFFFAOYSA-N -1 0 232.239 1.245 50 0 BDAARM COC(=O)C(C)=C([O-])c1ccccc1F ZINC000062774998 635462451 /nfs/dbraw/zinc/46/24/51/635462451.db2.gz YDUBMRNHRHAUDX-ZETCQYMHSA-N -1 0 210.204 1.818 50 0 BDAARM N#C/C(=C\c1ccc(-n2ccnc2)nc1)C(=O)[O-] ZINC000170656976 640907745 /nfs/dbraw/zinc/90/77/45/640907745.db2.gz RKVGKOBHCUHOGB-BJMVGYQFSA-N -1 0 240.222 1.259 50 0 BDAARM CC1(C)OC(=O)c2cc(C(=O)[O-])ccc21 ZINC000238178058 962379357 /nfs/dbraw/zinc/37/93/57/962379357.db2.gz IFKUEVKGVZWNHV-UHFFFAOYSA-N -1 0 206.197 1.790 50 0 BDAARM Cc1cc(O)ccc1Nc1nncc(=O)[n-]1 ZINC000008997391 178200852 /nfs/dbraw/zinc/20/08/52/178200852.db2.gz LWLLGYBUDVSFQY-UHFFFAOYSA-N -1 0 218.216 1.335 50 0 BDAARM Cc1ccc(-n2cc(O)c(C(=O)[O-])n2)cc1 ZINC000036721576 178346081 /nfs/dbraw/zinc/34/60/81/178346081.db2.gz OTPJNPVATTYIGV-UHFFFAOYSA-N -1 0 218.212 1.585 50 0 BDAARM Cc1ccc(-n2[n-]c(=O)ccc2=O)cc1C ZINC000005818362 178348198 /nfs/dbraw/zinc/34/81/98/178348198.db2.gz DRGHAOHHGOVDIU-UHFFFAOYSA-N -1 0 216.240 1.555 50 0 BDAARM Cc1ccc(/C=C/C(=O)NC2(C(=O)[O-])CC2)o1 ZINC000097002818 178353212 /nfs/dbraw/zinc/35/32/12/178353212.db2.gz NAJRWVQTJHHARL-SNAWJCMRSA-N -1 0 235.239 1.335 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000022177323 178388477 /nfs/dbraw/zinc/38/84/77/178388477.db2.gz APKXQOVSNDHCQM-NSHDSACASA-N -1 0 248.282 1.327 50 0 BDAARM Cc1sc2ncnc(NCC(=O)[O-])c2c1C ZINC000000131620 342676194 /nfs/dbraw/zinc/67/61/94/342676194.db2.gz XZZINGVQMPIXPU-UHFFFAOYSA-N -1 0 237.284 1.805 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(F)cc2F)N1 ZINC000000138378 342676603 /nfs/dbraw/zinc/67/66/03/342676603.db2.gz XSVQIJYCIWPGQR-IUCAKERBSA-N -1 0 245.250 1.753 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000000198033 342680074 /nfs/dbraw/zinc/68/00/74/342680074.db2.gz SPNFIZUVZRKIQZ-SSDOTTSWSA-N -1 0 223.203 1.263 50 0 BDAARM O=C([O-])c1ccc2c(c1)NC(=O)CS2 ZINC000000229641 342680907 /nfs/dbraw/zinc/68/09/07/342680907.db2.gz NBIVLYUEDPRLGI-UHFFFAOYSA-N -1 0 209.226 1.429 50 0 BDAARM O=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000000367879 342685231 /nfs/dbraw/zinc/68/52/31/342685231.db2.gz HQDKLCORJIEXRD-SNVBAGLBSA-N -1 0 235.239 1.502 50 0 BDAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1C ZINC000000034948 342670328 /nfs/dbraw/zinc/67/03/28/342670328.db2.gz FVLRNFDPKXYNTR-SNVBAGLBSA-N -1 0 233.267 1.741 50 0 BDAARM O=S(=O)([N-]c1cccnc1)c1ccccc1 ZINC000000034140 342670442 /nfs/dbraw/zinc/67/04/42/342670442.db2.gz UFVHQLOWDFKPIU-UHFFFAOYSA-N -1 0 234.280 1.882 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000000057551 342672157 /nfs/dbraw/zinc/67/21/57/342672157.db2.gz GDWKIRLZWQQMIE-QMMMGPOBSA-N -1 0 229.276 1.861 50 0 BDAARM COc1cc(C(=O)[O-])cc(OC)c1OC(C)=O ZINC000000058194 342672179 /nfs/dbraw/zinc/67/21/79/342672179.db2.gz VEJHIZHVFWVWRQ-UHFFFAOYSA-N -1 0 240.211 1.327 50 0 biogenic,in-vitro BDAARM Cc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000000540929 342689824 /nfs/dbraw/zinc/68/98/24/342689824.db2.gz VNMHKGDEXLJPNL-QMMMGPOBSA-N -1 0 222.244 1.590 50 0 biogenic BDAARM O=C([O-])[C@H](c1ccccc1)N1CCOCC1 ZINC000000810221 342693075 /nfs/dbraw/zinc/69/30/75/342693075.db2.gz OZJNQHRPTQSJDF-NSHDSACASA-N -1 0 221.256 1.145 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000001433079 342700986 /nfs/dbraw/zinc/70/09/86/342700986.db2.gz HRMRQBJUFWFQLX-ZETCQYMHSA-N -1 0 215.249 1.328 50 0 BDAARM O=S(=O)([O-])c1cccc2c(O)cccc21 ZINC000001700210 342709913 /nfs/dbraw/zinc/70/99/13/342709913.db2.gz YLKCHWCYYNKADS-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM CCc1cc2c(ncn(CC(=O)[O-])c2=O)s1 ZINC000001944806 342713741 /nfs/dbraw/zinc/71/37/41/342713741.db2.gz UFNPEWRDMOINGU-UHFFFAOYSA-N -1 0 238.268 1.105 50 0 BDAARM O=S(=O)([O-])Oc1c[nH]c2ccccc12 ZINC000001997119 342714235 /nfs/dbraw/zinc/71/42/35/342714235.db2.gz BXFFHSIDQOFMLE-UHFFFAOYSA-N -1 0 213.214 1.350 50 0 endogenous,in-man BDAARM CSc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1 ZINC000002060451 342715545 /nfs/dbraw/zinc/71/55/45/342715545.db2.gz XTMVUGQFVUETDJ-TWGQIWQCSA-N -1 0 234.280 1.589 50 0 BDAARM C[C@@H](O)CCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000004009912 342740823 /nfs/dbraw/zinc/74/08/23/342740823.db2.gz NUEQRBGDMHCABN-SSDOTTSWSA-N -1 0 234.255 1.575 50 0 BDAARM O=C([O-])c1csc(Br)n1 ZINC000004198767 342743747 /nfs/dbraw/zinc/74/37/47/342743747.db2.gz BEGREHRAUWCAHV-UHFFFAOYSA-N -1 0 208.036 1.604 50 0 BDAARM O=C([O-])[C@@H](O)c1c(F)c(F)cc(F)c1F ZINC000002511046 342721788 /nfs/dbraw/zinc/72/17/88/342721788.db2.gz HKPLPZPFEQLEFM-ZETCQYMHSA-N -1 0 224.109 1.361 50 0 BDAARM CC[C@]([NH3+])(C(=O)[O-])c1ccc(C(=O)[O-])cc1 ZINC000002572469 342724933 /nfs/dbraw/zinc/72/49/33/342724933.db2.gz AIEFWRHRHFRLFT-LLVKDONJSA-N -1 0 223.228 1.033 50 0 in-vitro BDAARM Nc1ccc(NC[C@H]2CCCO2)c(C(=O)[O-])c1 ZINC000004629553 342749581 /nfs/dbraw/zinc/74/95/81/342749581.db2.gz WDIRKHDCKISVHQ-SECBINFHSA-N -1 0 236.271 1.558 50 0 BDAARM O=C([O-])c1cc2c(nc3ccccn3c2=O)s1 ZINC000003260103 342731934 /nfs/dbraw/zinc/73/19/34/342731934.db2.gz XRKODIKJABCNFA-UHFFFAOYSA-N -1 0 246.247 1.607 50 0 BDAARM Nc1ccc(NC[C@@H]2CCCO2)c(C(=O)[O-])c1 ZINC000004629552 342749764 /nfs/dbraw/zinc/74/97/64/342749764.db2.gz WDIRKHDCKISVHQ-VIFPVBQESA-N -1 0 236.271 1.558 50 0 BDAARM CCOc1cc(C(=O)[O-])c(N)cc1OC ZINC000003888862 342739063 /nfs/dbraw/zinc/73/90/63/342739063.db2.gz LMLMBWMYHXXDAN-UHFFFAOYSA-N -1 0 211.217 1.374 50 0 BDAARM O=C([O-])c1cccc(OCCN2CCCC2=O)c1 ZINC000004985785 342755678 /nfs/dbraw/zinc/75/56/78/342755678.db2.gz QJGDJJVDJAYVKG-UHFFFAOYSA-N -1 0 249.266 1.386 50 0 BDAARM Cn1cccc1Cc1n[nH]c(=S)n1C ZINC000006083769 342773209 /nfs/dbraw/zinc/77/32/09/342773209.db2.gz KPQVGQLSCPQVCU-UHFFFAOYSA-N -1 0 208.290 1.407 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000006147476 342774438 /nfs/dbraw/zinc/77/44/38/342774438.db2.gz JXNDLFWQCQNSRP-QMMMGPOBSA-N -1 0 211.261 1.252 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000008016230 342795354 /nfs/dbraw/zinc/79/53/54/342795354.db2.gz HLGLVJXDNAWXLZ-VIFPVBQESA-N -1 0 237.230 1.259 50 0 BDAARM C[C@H](CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000011968215 342845319 /nfs/dbraw/zinc/84/53/19/342845319.db2.gz VKSJLNGCOQANCQ-SSDOTTSWSA-N -1 0 246.259 1.463 50 0 BDAARM CC(C)(C)NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000012381465 342850648 /nfs/dbraw/zinc/85/06/48/342850648.db2.gz AJZBOZHQVXINRS-ZETCQYMHSA-N -1 0 214.265 1.044 50 0 BDAARM Nc1cc(F)ccc1-n1ccc(C(=O)[O-])n1 ZINC000012396997 342851313 /nfs/dbraw/zinc/85/13/13/342851313.db2.gz SSIYLIUHNJQXJK-UHFFFAOYSA-N -1 0 221.191 1.292 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000012505631 342852965 /nfs/dbraw/zinc/85/29/65/342852965.db2.gz YMRCTWCRPNSLPD-QMMMGPOBSA-N -1 0 239.296 1.827 50 0 BDAARM Cc1cc(C)n(-c2ccc(C(=O)[O-])cn2)n1 ZINC000014001790 342875669 /nfs/dbraw/zinc/87/56/69/342875669.db2.gz OYDQYWLLZLOLAJ-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM O=S(=O)([O-])c1ccc2ccccc2n1 ZINC000014983533 342890172 /nfs/dbraw/zinc/89/01/72/342890172.db2.gz ZKIHLVYBGPFUAD-UHFFFAOYSA-N -1 0 209.226 1.482 50 0 BDAARM Nc1c(C(=O)[O-])c[nH+]c2ccc(C(=O)[O-])cc12 ZINC000014988285 342890422 /nfs/dbraw/zinc/89/04/22/342890422.db2.gz XTDGQTISPFLAIB-UHFFFAOYSA-N -1 0 232.195 1.213 50 0 BDAARM O=C([O-])c1ccc(Nc2ncccn2)cc1 ZINC000014988641 342890430 /nfs/dbraw/zinc/89/04/30/342890430.db2.gz ZBDXNIXEOKDJKQ-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM O=C([O-])CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000100319042 398334494 /nfs/dbraw/zinc/33/44/94/398334494.db2.gz PDTMETFOBGFEEU-RKDXNWHRSA-N -1 0 239.271 1.026 50 0 BDAARM O=C([O-])Cn1cc(NC(=O)[C@H]2CC=CCC2)cn1 ZINC000038029781 398335780 /nfs/dbraw/zinc/33/57/80/398335780.db2.gz FYQIQATVWHRLTC-VIFPVBQESA-N -1 0 249.270 1.263 50 0 BDAARM Nc1c(C(=O)[O-])cnc2ccc(F)cc12 ZINC000019093205 342941706 /nfs/dbraw/zinc/94/17/06/342941706.db2.gz GPXSBYUJCXBKTJ-UHFFFAOYSA-N -1 0 206.176 1.654 50 0 BDAARM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000019434962 342948605 /nfs/dbraw/zinc/94/86/05/342948605.db2.gz COHIMMPWCAHSFN-YUMQZZPRSA-N -1 0 245.275 1.095 50 0 BDAARM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)[O-] ZINC000019438197 342948693 /nfs/dbraw/zinc/94/86/93/342948693.db2.gz QBOICUCFKNPNND-LURJTMIESA-N -1 0 217.290 1.019 50 0 BDAARM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)[O-] ZINC000019487805 342949872 /nfs/dbraw/zinc/94/98/72/342949872.db2.gz ZGNBKHDSWBUSTG-RQJHMYQMSA-N -1 0 217.290 1.019 50 0 BDAARM CCc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC000019910362 342962901 /nfs/dbraw/zinc/96/29/01/342962901.db2.gz LAODOYJNMYOVDK-UHFFFAOYSA-N -1 0 231.255 1.587 50 0 BDAARM O=C([O-])c1cccc(N2CCOC2=O)c1 ZINC000020213334 342977666 /nfs/dbraw/zinc/97/76/66/342977666.db2.gz KETFZTDHSKCSAT-UHFFFAOYSA-N -1 0 207.185 1.341 50 0 BDAARM O=C([O-])c1ccc(NC(=O)C2CCOCC2)cc1 ZINC000020249363 342978432 /nfs/dbraw/zinc/97/84/32/342978432.db2.gz PUMAOKFTZJYOSK-UHFFFAOYSA-N -1 0 249.266 1.750 50 0 BDAARM CC(C)c1cnc2cc(=O)[nH]n2c1C(=O)[O-] ZINC000020282871 342980237 /nfs/dbraw/zinc/98/02/37/342980237.db2.gz QIBUOSGDGUHTOB-UHFFFAOYSA-N -1 0 221.216 1.257 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC000020285424 342980793 /nfs/dbraw/zinc/98/07/93/342980793.db2.gz BHNIPDIWMSLFOZ-JTQLQIEISA-N -1 0 225.288 1.642 50 0 BDAARM O=C([O-])c1csc(CN2CCCC2)n1 ZINC000020442035 342985275 /nfs/dbraw/zinc/98/52/75/342985275.db2.gz NKAVCESIVVYAFZ-UHFFFAOYSA-N -1 0 212.274 1.437 50 0 BDAARM C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)[O-] ZINC000584879993 343080253 /nfs/dbraw/zinc/08/02/53/343080253.db2.gz CBMOPDGKSHYFHW-XHNCKOQMSA-N -1 0 223.276 1.739 50 0 BDAARM O=C([O-])c1nn(-c2ccc(F)cc2)cc1O ZINC000026420984 343104704 /nfs/dbraw/zinc/10/47/04/343104704.db2.gz LRCSXWYNBZPFIC-UHFFFAOYSA-N -1 0 222.175 1.415 50 0 BDAARM Cc1[nH]cc(C(=O)[O-])c(=O)c1Br ZINC000026506728 343106064 /nfs/dbraw/zinc/10/60/64/343106064.db2.gz AFOTZKWPHPDPAH-UHFFFAOYSA-N -1 0 232.033 1.144 50 0 BDAARM Nc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000032627758 343239114 /nfs/dbraw/zinc/23/91/14/343239114.db2.gz GWMGVDAFFHIXCL-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM CC[C@@H](C(=O)[O-])c1cn2ccsc2n1 ZINC000034925172 343280281 /nfs/dbraw/zinc/28/02/81/343280281.db2.gz IQCYJUVULJXNJA-ZCFIWIBFSA-N -1 0 210.258 1.974 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2C(=O)[O-] ZINC000036421195 343318367 /nfs/dbraw/zinc/31/83/67/343318367.db2.gz VGONMHFNYUTBCO-BWZBUEFSSA-N -1 0 227.260 1.326 50 0 BDAARM CC(C)(C)OC(=O)N(CC(=O)[O-])CC1CC1 ZINC000036884162 343326204 /nfs/dbraw/zinc/32/62/04/343326204.db2.gz KNPPPZVDRMFWMS-UHFFFAOYSA-N -1 0 229.276 1.718 50 0 BDAARM CC(C)(C)OC(=O)N=c1nc[n-]s1 ZINC000039091329 343382078 /nfs/dbraw/zinc/38/20/78/343382078.db2.gz HKRDLXVLFKXELZ-UHFFFAOYSA-N -1 0 201.251 1.885 50 0 BDAARM O=C([O-])c1cc(Br)cc2c1OCO2 ZINC000039240405 343387270 /nfs/dbraw/zinc/38/72/70/343387270.db2.gz QLRIAHYAWFMMSW-UHFFFAOYSA-N -1 0 245.028 1.876 50 0 BDAARM Nc1cc2c(cc1S(=O)(=O)[O-])CCC2 ZINC000039268422 343387903 /nfs/dbraw/zinc/38/79/03/343387903.db2.gz QTPUGPGPWPDKDV-UHFFFAOYSA-N -1 0 213.258 1.004 50 0 BDAARM O=C([O-])c1cccnc1-c1ccccn1 ZINC000040447904 343403549 /nfs/dbraw/zinc/40/35/49/343403549.db2.gz OQVVVVYHNKQXHR-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM CC(C)OCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263513944 136374835 /nfs/dbraw/zinc/37/48/35/136374835.db2.gz OFDSRSQYLHEBOM-NXEZZACHSA-N -1 0 243.303 1.123 50 0 BDAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[O-])cc1 ZINC000000266799 178562004 /nfs/dbraw/zinc/56/20/04/178562004.db2.gz OJKNXYHTQNXSEG-NSHDSACASA-N -1 0 233.267 1.571 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000013171222 343771984 /nfs/dbraw/zinc/77/19/84/343771984.db2.gz JENQAOIBEHEDHI-QWRGUYRKSA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000215322391 349871845 /nfs/dbraw/zinc/87/18/45/349871845.db2.gz QBTSHMVXBFVCQX-GHMZBOCLSA-N -1 0 206.241 1.891 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)Nc1nccs1 ZINC000000544774 346996105 /nfs/dbraw/zinc/99/61/05/346996105.db2.gz XBVSCWDDCLBNGM-LURJTMIESA-N -1 0 228.273 1.583 50 0 BDAARM Cc1ccc(Nc2nc(=O)c(C)n[n-]2)c(C)c1 ZINC000008744443 178781732 /nfs/dbraw/zinc/78/17/32/178781732.db2.gz LQWKZQMXCBOGNV-UHFFFAOYSA-N -1 0 230.271 1.834 50 0 BDAARM Nc1c(CC(=O)[O-])ccnc1C(F)(F)F ZINC000238662049 345104711 /nfs/dbraw/zinc/10/47/11/345104711.db2.gz CUXBWTSKNSJLOD-UHFFFAOYSA-N -1 0 220.150 1.310 50 0 BDAARM CC[C@H](NC(=O)c1ccccc1)c1nnn[n-]1 ZINC000095161848 345682342 /nfs/dbraw/zinc/68/23/42/345682342.db2.gz BNWOKUDNXYXJPC-VIFPVBQESA-N -1 0 231.259 1.081 50 0 BDAARM O=C([O-])c1cc(-c2cc[nH]n2)ccc1F ZINC000075852046 537928261 /nfs/dbraw/zinc/92/82/61/537928261.db2.gz BHCDKIFOFUMDBN-UHFFFAOYSA-N -1 0 206.176 1.914 50 0 BDAARM Clc1ccc(OCc2nnn[n-]2)cc1 ZINC000004728044 345989837 /nfs/dbraw/zinc/98/98/37/345989837.db2.gz LAEFYQOLGWVFTE-UHFFFAOYSA-N -1 0 210.624 1.432 50 0 in-vitro BDAARM CCOc1ccc([C@@H]([NH3+])P(=O)([O-])[O-])cc1 ZINC000003246649 346228632 /nfs/dbraw/zinc/22/86/32/346228632.db2.gz FHPYIJMLVFACLL-VIFPVBQESA-N -1 0 231.188 1.220 50 0 BDAARM Cc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000005795910 179006912 /nfs/dbraw/zinc/00/69/12/179006912.db2.gz ZNSUCIWHJIYYFN-UHFFFAOYSA-N -1 0 247.294 1.932 50 0 BDAARM Cc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC000022223656 179008190 /nfs/dbraw/zinc/00/81/90/179008190.db2.gz MYTFMYCKRMLWAB-NSHDSACASA-N -1 0 248.282 1.469 50 0 BDAARM CCCC[C@H](CC)CNC(=O)/C=C/C(=O)[O-] ZINC000001590004 346450767 /nfs/dbraw/zinc/45/07/67/346450767.db2.gz GKRPTTYZZLGANE-JARNTUPDSA-N -1 0 227.304 1.960 50 0 BDAARM COC(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000003120038 346556345 /nfs/dbraw/zinc/55/63/45/346556345.db2.gz QTEBFSANEDARCQ-UHFFFAOYSA-N -1 0 203.238 1.232 50 0 BDAARM O=S(=O)([N-]c1ccon1)c1ccccc1 ZINC000006706641 346654196 /nfs/dbraw/zinc/65/41/96/346654196.db2.gz NRNITHABNQZDAT-UHFFFAOYSA-N -1 0 224.241 1.475 50 0 BDAARM Cc1cccc2c1CCN2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000240244215 179213037 /nfs/dbraw/zinc/21/30/37/179213037.db2.gz DKZFZUACFGPOCF-QWRGUYRKSA-N -1 0 245.278 1.605 50 0 BDAARM Cc1ccccc1/C=C1/NC(=O)[N-]C1=O ZINC000000072112 179244063 /nfs/dbraw/zinc/24/40/63/179244063.db2.gz JVIQAUUOTMODKJ-RMKNXTFCSA-N -1 0 202.213 1.175 50 0 BDAARM Cc1ccccc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000003278198 179251007 /nfs/dbraw/zinc/25/10/07/179251007.db2.gz DGRVECXJCRCMGT-LLVKDONJSA-N -1 0 235.283 1.834 50 0 BDAARM Cc1ccccc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000070310750 179252755 /nfs/dbraw/zinc/25/27/55/179252755.db2.gz PPXUXFJJPNESPY-SNVBAGLBSA-N -1 0 235.283 1.978 50 0 BDAARM Cc1ccccc1C1(C(=O)NCC(=O)[O-])CC1 ZINC000362441029 179255307 /nfs/dbraw/zinc/25/53/07/179255307.db2.gz PCTUHIQGBIUVSR-UHFFFAOYSA-N -1 0 233.267 1.227 50 0 BDAARM Cc1ccccc1NCS(=O)(=O)[O-] ZINC000001712793 179304469 /nfs/dbraw/zinc/30/44/69/179304469.db2.gz HFFSVWNRHLTGLV-UHFFFAOYSA-N -1 0 201.247 1.252 50 0 BDAARM Cc1ccccc1Nc1nncc(=O)[n-]1 ZINC000008997697 179308048 /nfs/dbraw/zinc/30/80/48/179308048.db2.gz LURAIXXQMKDRHP-UHFFFAOYSA-N -1 0 202.217 1.629 50 0 BDAARM Cc1ccsc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062117489 179535691 /nfs/dbraw/zinc/53/56/91/179535691.db2.gz JVYYUABDMRQNDL-QMMMGPOBSA-N -1 0 239.296 1.603 50 0 BDAARM CC(C)C[C@@H](NC(=O)c1ccco1)C(=O)[O-] ZINC000000260477 187408315 /nfs/dbraw/zinc/40/83/15/187408315.db2.gz LXBURZIESWDWIV-MRVPVSSYSA-N -1 0 225.244 1.509 50 0 BDAARM CC(C)[C@H](C(=O)[O-])n1nnc2ccccc2c1=O ZINC000003883081 187410919 /nfs/dbraw/zinc/41/09/19/187410919.db2.gz CIDCLWSSRNYIAH-SNVBAGLBSA-N -1 0 247.254 1.073 50 0 BDAARM CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C(O)C(=O)[O-] ZINC000020286483 187418490 /nfs/dbraw/zinc/41/84/90/187418490.db2.gz JZNKIJDJYKNHEP-DJOAAKCGSA-N -1 0 224.256 1.282 50 0 BDAARM Cc1nc(N2CCCC2)ncc1C(=O)[O-] ZINC000006767768 180000493 /nfs/dbraw/zinc/00/04/93/180000493.db2.gz CHWCHEHLZAWFMC-UHFFFAOYSA-N -1 0 207.233 1.083 50 0 BDAARM Cc1nc(NC#N)[n-]c(=O)c1Cc1ccccc1 ZINC000006645816 180004649 /nfs/dbraw/zinc/00/46/49/180004649.db2.gz FDHPCVDDKZZLBK-UHFFFAOYSA-N -1 0 240.266 1.562 50 0 BDAARM C[C@H]1CC/C(=C/C(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000390832926 350131882 /nfs/dbraw/zinc/13/18/82/350131882.db2.gz BTOVVNCAUQBAGP-DJTJSURISA-N -1 0 237.299 1.808 50 0 BDAARM Cc1nc2ccc(Cl)cn2c1C(=O)[O-] ZINC000006667690 180090705 /nfs/dbraw/zinc/09/07/05/180090705.db2.gz PGYYUAYGIWHUJA-UHFFFAOYSA-N -1 0 210.620 1.994 50 0 BDAARM Cc1nn(C)c2nc(C)c(CCC(=O)[O-])c(C)c12 ZINC000006769633 180068504 /nfs/dbraw/zinc/06/85/04/180068504.db2.gz ANFVWZFBIOBMTE-UHFFFAOYSA-N -1 0 247.298 1.911 50 0 BDAARM CCC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC000221706561 350217513 /nfs/dbraw/zinc/21/75/13/350217513.db2.gz ZFNVPSXASNVTQU-UHFFFAOYSA-N -1 0 223.228 1.742 50 0 BDAARM Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC000075852175 490544324 /nfs/dbraw/zinc/54/43/24/490544324.db2.gz NDAGCIJPZHOZPG-UHFFFAOYSA-N -1 0 241.247 1.465 50 0 BDAARM Cc1nn(C)cc1-c1noc(C)c1C(=O)[O-] ZINC000021649358 180365930 /nfs/dbraw/zinc/36/59/30/180365930.db2.gz UHDVDKQSBPUIIS-UHFFFAOYSA-N -1 0 221.216 1.390 50 0 BDAARM Cc1[n-]n2c(nc3ccccc3c2=O)c1C=O ZINC000100587729 180393482 /nfs/dbraw/zinc/39/34/82/180393482.db2.gz DKPITBLRBUXYGG-UHFFFAOYSA-N -1 0 227.223 1.297 50 0 BDAARM Cc1nn(CC(F)(F)F)c(C)c1C(=O)[O-] ZINC000020348905 180386358 /nfs/dbraw/zinc/38/63/58/180386358.db2.gz ADJINVHVZLLKDO-UHFFFAOYSA-N -1 0 222.166 1.760 50 0 BDAARM CC(C)CNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005907883 191122853 /nfs/dbraw/zinc/12/28/53/191122853.db2.gz TWKDXCVAKKUTGH-VHSXEESVSA-N -1 0 225.288 1.426 50 0 BDAARM Cn1c(C(=O)[O-])ccc1-c1cccnc1 ZINC000000343524 180614632 /nfs/dbraw/zinc/61/46/32/180614632.db2.gz ANVCNSSMSMUJDJ-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM CCOc1ccc(/C=C(/NC(C)=O)C(=O)[O-])cc1 ZINC000020198638 366021541 /nfs/dbraw/zinc/02/15/41/366021541.db2.gz LSNPIFRBNKQULM-XYOKQWHBSA-N -1 0 249.266 1.647 50 0 biogenic BDAARM CC(C)[C@H](NC(=O)c1ccc(N)cc1)C(=O)[O-] ZINC000033434394 188060700 /nfs/dbraw/zinc/06/07/00/188060700.db2.gz ZVDDSFYGWFRSGL-JTQLQIEISA-N -1 0 236.271 1.108 50 0 BDAARM C/C=C(/C)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000195545101 188061471 /nfs/dbraw/zinc/06/14/71/188061471.db2.gz ZDZTUCVBXIMEBN-CHDHTGKKSA-N -1 0 211.261 1.418 50 0 BDAARM CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000335829 188100046 /nfs/dbraw/zinc/10/00/46/188100046.db2.gz HSBCMZVCOIWDLZ-UHFFFAOYSA-N -1 0 249.291 1.665 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002583305 188101028 /nfs/dbraw/zinc/10/10/28/188101028.db2.gz FEPYBSDCOQXJAI-IUCAKERBSA-N -1 0 241.287 1.931 50 0 BDAARM CC(C)Cc1c(O)nc2n(c1=O)CCS2 ZINC000009476578 188104245 /nfs/dbraw/zinc/10/42/45/188104245.db2.gz JTRQVTJMQWJLKT-UHFFFAOYSA-N -1 0 226.301 1.253 50 0 BDAARM O=C1NC(=O)/C(=C/c2c(F)cccc2Cl)N1 ZINC000012410469 188105006 /nfs/dbraw/zinc/10/50/06/188105006.db2.gz AMBGAORSDPLOIA-YWEYNIOJSA-N -1 0 240.621 1.659 50 0 BDAARM O=C([O-])c1nc(C2CC2)n(-c2ccccc2)n1 ZINC000036879551 188113597 /nfs/dbraw/zinc/11/35/97/188113597.db2.gz OKHTXDLPXCPMNK-UHFFFAOYSA-N -1 0 229.239 1.843 50 0 BDAARM CC(C)(NC(=O)C1C(C)(C)C1(C)C)C(=O)[O-] ZINC000085709316 188125692 /nfs/dbraw/zinc/12/56/92/188125692.db2.gz NIZONDPYHZIDPN-UHFFFAOYSA-N -1 0 227.304 1.648 50 0 BDAARM CC1(C)[C@H](C(=O)Nc2ccc(O)cc2)[C@@H]1C(=O)[O-] ZINC000071288830 188130943 /nfs/dbraw/zinc/13/09/43/188130943.db2.gz JWXIYPMKGVLRTJ-VHSXEESVSA-N -1 0 249.266 1.688 50 0 BDAARM Cc1cc(C(=O)[O-])nn1C1CCOCC1 ZINC000079387404 188136494 /nfs/dbraw/zinc/13/64/94/188136494.db2.gz ZDMNYXSRCCBRHA-UHFFFAOYSA-N -1 0 210.233 1.241 50 0 BDAARM CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000008156618 188161553 /nfs/dbraw/zinc/16/15/53/188161553.db2.gz HVZBWPDTXDTEAK-VIFPVBQESA-N -1 0 212.176 1.515 50 0 BDAARM CC(C)N1C(=O)C2(CCCC2)[C@H]1C(=O)[O-] ZINC000169676657 188161753 /nfs/dbraw/zinc/16/17/53/188161753.db2.gz FMPDHZXTUHPQAG-MRVPVSSYSA-N -1 0 211.261 1.251 50 0 BDAARM CCOc1ccc(C(=O)[O-])nc1Br ZINC000005046336 353553483 /nfs/dbraw/zinc/55/34/83/353553483.db2.gz NUJNGGDUMMRMFJ-UHFFFAOYSA-N -1 0 246.060 1.941 50 0 BDAARM NC(=O)CCn1ccc2ccc(C(=O)[O-])cc21 ZINC000036040135 181228853 /nfs/dbraw/zinc/22/88/53/181228853.db2.gz CLRATGBBLONTLE-UHFFFAOYSA-N -1 0 232.239 1.215 50 0 BDAARM NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003308475 181260489 /nfs/dbraw/zinc/26/04/89/181260489.db2.gz WOSVIUFZAGUVTB-QMMMGPOBSA-N -1 0 242.662 1.524 50 0 BDAARM COC(=O)[C@@H]1CC=C[C@@H](C)[C@]1(C)C(=O)[O-] ZINC000045027984 356372356 /nfs/dbraw/zinc/37/23/56/356372356.db2.gz MHHVBCDDBZTFFN-FYBVGQRMSA-N -1 0 212.245 1.463 50 0 BDAARM O=C([O-])c1ncc(-c2cnc(C3CC3)o2)cn1 ZINC000675069921 538499305 /nfs/dbraw/zinc/49/93/05/538499305.db2.gz MOCSFGBWGOWWTP-UHFFFAOYSA-N -1 0 231.211 1.707 50 0 BDAARM C[C@H]1CCO[C@H]1C(=O)Nc1cc(O)cc(F)c1 ZINC000095979234 538613083 /nfs/dbraw/zinc/61/30/83/538613083.db2.gz NKBXWWFLZJQBHE-WRWORJQWSA-N -1 0 239.246 1.895 50 0 BDAARM O=C([O-])C1([C@@H]2CCCCO2)CCOCC1 ZINC000585138671 538795282 /nfs/dbraw/zinc/79/52/82/538795282.db2.gz CESDUJUNWKCURN-VIFPVBQESA-N -1 0 214.261 1.437 50 0 BDAARM CCCCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000001665716 357084610 /nfs/dbraw/zinc/08/46/10/357084610.db2.gz KYADTFSCDZLZBP-VIFPVBQESA-N -1 0 201.266 1.402 50 0 BDAARM C[C@H](OC[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000160493236 538884634 /nfs/dbraw/zinc/88/46/34/538884634.db2.gz JYRPSTXKCHEJTB-IUCAKERBSA-N -1 0 238.239 1.316 50 0 BDAARM COc1ccnc(SCCC(=O)[O-])n1 ZINC000220356449 358038188 /nfs/dbraw/zinc/03/81/88/358038188.db2.gz DNXIPSAFIGGVDP-UHFFFAOYSA-N -1 0 214.246 1.052 50 0 BDAARM CO[C@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000169148580 134249294 /nfs/dbraw/zinc/24/92/94/134249294.db2.gz SAXWQSZZEBGNSL-NXEZZACHSA-N -1 0 243.303 1.267 50 0 BDAARM CC[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000044612068 358551264 /nfs/dbraw/zinc/55/12/64/358551264.db2.gz QIXDRLIEARGEQY-ZETCQYMHSA-N -1 0 217.265 1.717 50 0 BDAARM COc1nccc(C(=O)[O-])c1C(F)(F)F ZINC000238423824 361030956 /nfs/dbraw/zinc/03/09/56/361030956.db2.gz BVDLBQQHSDQZFR-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM O=c1[n-]c(CNc2cccc(Cl)c2)n[nH]1 ZINC000036559158 361172953 /nfs/dbraw/zinc/17/29/53/361172953.db2.gz WFLCJMJJWMIPTK-UHFFFAOYSA-N -1 0 224.651 1.364 50 0 BDAARM O=C([O-])[C@@H]1CCC[C@@H](Br)C1=O ZINC000139202013 361592449 /nfs/dbraw/zinc/59/24/49/361592449.db2.gz AUQWJFMEDWJXNT-RFZPGFLSSA-N -1 0 221.050 1.204 50 0 BDAARM Cc1c2ccccc2oc1C(=O)N[C@H](C)C(=O)[O-] ZINC000037410155 364015204 /nfs/dbraw/zinc/01/52/04/364015204.db2.gz WHRPDGVLIWQSPC-MRVPVSSYSA-N -1 0 247.250 1.944 50 0 BDAARM Cc1cc(C)c(C(=O)N[C@H](C)CC(=O)[O-])s1 ZINC000630133048 363960183 /nfs/dbraw/zinc/96/01/83/363960183.db2.gz RAFCLZATQBBHQX-SSDOTTSWSA-N -1 0 241.312 1.958 50 0 BDAARM c1[nH]c2ccccc2c1CN=Nc1nnn[n-]1 ZINC000252631517 364468224 /nfs/dbraw/zinc/46/82/24/364468224.db2.gz VLRXPDBDLVPJJS-SSDOTTSWSA-N -1 0 227.231 1.097 50 0 BDAARM CCOC(=O)C1=C([O-])CC(C)(C)CC1=O ZINC000139058576 541500527 /nfs/dbraw/zinc/50/05/27/541500527.db2.gz KJCMDWWNULGLDS-UHFFFAOYSA-N -1 0 212.245 1.124 50 0 BDAARM O=c1c(Cl)cc(C(F)(F)F)cn1[O-] ZINC000204107875 368398894 /nfs/dbraw/zinc/39/88/94/368398894.db2.gz OCSWROOOAWWSEH-UHFFFAOYSA-N -1 0 213.542 1.758 50 0 BDAARM COc1cc2cc(C(=O)[O-])[nH]c(=O)c2cc1OC ZINC000145408749 368393991 /nfs/dbraw/zinc/39/39/91/368393991.db2.gz KENOQFCIXCRXLA-UHFFFAOYSA-N -1 0 249.222 1.244 50 0 BDAARM O=C([O-])CC(=O)Cc1ccc(Cl)cc1 ZINC000144978395 368394007 /nfs/dbraw/zinc/39/40/07/368394007.db2.gz CYBVPRFKYAJEGB-UHFFFAOYSA-N -1 0 212.632 1.926 50 0 BDAARM CC[C@@H](C(=O)[O-])n1ccc(C(F)(F)F)cc1=O ZINC000568089378 326306607 /nfs/dbraw/zinc/30/66/07/326306607.db2.gz UNIRZDFAHXXJCC-ZETCQYMHSA-N -1 0 249.188 1.903 50 0 BDAARM O=c1[n-]c(-c2cnn3ccncc23)ncc1Cl ZINC000118372348 371015485 /nfs/dbraw/zinc/01/54/85/371015485.db2.gz JJAQJDFHZXCPID-UHFFFAOYSA-N -1 0 247.645 1.545 50 0 BDAARM Nc1c(C(=O)[O-])cccc1C(F)(F)F ZINC000001081205 181665960 /nfs/dbraw/zinc/66/59/60/181665960.db2.gz UNLVJVQEDSDPIN-UHFFFAOYSA-N -1 0 205.135 1.986 50 0 BDAARM Nc1cccc(C(=O)[O-])c1Br ZINC000040564460 181742288 /nfs/dbraw/zinc/74/22/88/181742288.db2.gz PAGROCHVTXMVTP-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 BDAARM Cc1cnc(NC(=O)CCCC(=O)[O-])s1 ZINC000028225912 371581899 /nfs/dbraw/zinc/58/18/99/371581899.db2.gz XNKWHCLOWHHNFX-UHFFFAOYSA-N -1 0 228.273 1.645 50 0 BDAARM Cc1nnc(C)n1N=Cc1ccc(C(=O)[O-])cc1 ZINC000003026859 371847758 /nfs/dbraw/zinc/84/77/58/371847758.db2.gz AVCABEZIPUDTIA-UHFFFAOYSA-N -1 0 244.254 1.475 50 0 BDAARM CCOc1ccc([C@H]([NH3+])P(=O)([O-])[O-])cc1 ZINC000003246651 371926949 /nfs/dbraw/zinc/92/69/49/371926949.db2.gz FHPYIJMLVFACLL-SECBINFHSA-N -1 0 231.188 1.220 50 0 BDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000095961384 182088028 /nfs/dbraw/zinc/08/80/28/182088028.db2.gz WFHDRZIJBJBTQX-UHFFFAOYSA-N -1 0 245.278 1.522 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CCCC1 ZINC000000461596 182109945 /nfs/dbraw/zinc/10/99/45/182109945.db2.gz PRMUOGGTHSUYAC-WDEREUQCSA-N -1 0 239.315 1.936 50 0 BDAARM O=C(NCCC1=CCCCC1)c1cn[nH]n1 ZINC000088330101 182153664 /nfs/dbraw/zinc/15/36/64/182153664.db2.gz OXQAFGPRERNPOL-UHFFFAOYSA-N -1 0 220.276 1.425 50 0 BDAARM O=C(N[C@@H]1CCc2c1cccc2F)c1cn[nH]n1 ZINC000049319213 182312652 /nfs/dbraw/zinc/31/26/52/182312652.db2.gz LKPBBCOCYIUOQF-SNVBAGLBSA-N -1 0 246.245 1.361 50 0 BDAARM O=C([O-])C1(C(=O)Nc2ccccc2)CC1 ZINC000050289581 182422724 /nfs/dbraw/zinc/42/27/24/182422724.db2.gz KDXROTVXLGAFGW-UHFFFAOYSA-N -1 0 205.213 1.490 50 0 BDAARM O=C([O-])CCC(=O)OCCc1ccccc1 ZINC000001926699 182433311 /nfs/dbraw/zinc/43/33/11/182433311.db2.gz IRVZRNOWHCEDRV-UHFFFAOYSA-N -1 0 222.240 1.637 50 0 BDAARM O=C([O-])CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC000035024345 182438108 /nfs/dbraw/zinc/43/81/08/182438108.db2.gz YBJHBAHKTGYVGT-FJXKBIBVSA-N -1 0 244.316 1.001 50 0 in-man BDAARM O=C([O-])CCS(=O)(=O)c1ccccc1F ZINC000004218882 182449306 /nfs/dbraw/zinc/44/93/06/182449306.db2.gz HUYSOSRTHMMBHI-UHFFFAOYSA-N -1 0 232.232 1.074 50 0 BDAARM O=C([O-])CCOc1ccc(F)cc1F ZINC000000111273 182449543 /nfs/dbraw/zinc/44/95/43/182449543.db2.gz KELQPDLVHXMGBI-UHFFFAOYSA-N -1 0 202.156 1.818 50 0 BDAARM O=C([O-])COc1ccc2ccc(=O)oc2c1 ZINC000000443416 182470757 /nfs/dbraw/zinc/47/07/57/182470757.db2.gz YENBPUAYKYLKSL-UHFFFAOYSA-N -1 0 220.180 1.256 50 0 biogenic BDAARM O=C([O-])CSc1nnc2[nH]c3ccccc3n21 ZINC000002483434 182473410 /nfs/dbraw/zinc/47/34/10/182473410.db2.gz DPEHVUSOWTYNQA-UHFFFAOYSA-N -1 0 248.267 1.387 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000184468 182507292 /nfs/dbraw/zinc/50/72/92/182507292.db2.gz JYYMPQMWOVXMDK-SSDOTTSWSA-N -1 0 223.203 1.263 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCCC1 ZINC000000371578 182532351 /nfs/dbraw/zinc/53/23/51/182532351.db2.gz MFFWEFPNGDBSLN-ZJUUUORDSA-N -1 0 223.272 1.276 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000000414440 182534512 /nfs/dbraw/zinc/53/45/12/182534512.db2.gz QRAUNYQIFWYKTC-QMMMGPOBSA-N -1 0 239.296 1.685 50 0 BDAARM O=C([O-])c1cc(=O)c2ccc(F)cc2[nH]1 ZINC000013821173 182552047 /nfs/dbraw/zinc/55/20/47/182552047.db2.gz FIUJIDDTLWFHTJ-UHFFFAOYSA-N -1 0 207.160 1.365 50 0 BDAARM O=C([O-])c1ccc(CNC(=O)c2ccco2)cc1 ZINC000004749791 182566300 /nfs/dbraw/zinc/56/63/00/182566300.db2.gz RGGHUWUWEGCYGI-UHFFFAOYSA-N -1 0 245.234 1.908 50 0 BDAARM O=C([O-])c1ccc(-c2ccccn2)[nH]c1=O ZINC000029753762 182562770 /nfs/dbraw/zinc/56/27/70/182562770.db2.gz YFLVHZXQLBWLKU-UHFFFAOYSA-N -1 0 216.196 1.135 50 0 BDAARM O=C([O-])c1cnc(-c2ccncc2)s1 ZINC000019948585 182588336 /nfs/dbraw/zinc/58/83/36/182588336.db2.gz LUOLVDGBKGGNCC-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=C([O-])[C@@]1(c2ccccc2)CCC(=O)C1 ZINC000000328209 182749231 /nfs/dbraw/zinc/74/92/31/182749231.db2.gz GZFDVSDSPLDDJS-LBPRGKRZSA-N -1 0 204.225 1.762 50 0 BDAARM O=C([O-])[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012505234 182782909 /nfs/dbraw/zinc/78/29/09/182782909.db2.gz WQOGWVAXXVNUOX-ZETCQYMHSA-N -1 0 209.176 1.336 50 0 BDAARM O=Cc1ccc(OCCCC(=O)[O-])cc1 ZINC000002392129 182869004 /nfs/dbraw/zinc/86/90/04/182869004.db2.gz GKECISRCTNHSNA-UHFFFAOYSA-N -1 0 208.213 1.743 50 0 BDAARM O=Cc1cccn1[C@@H](C(=O)[O-])c1ccccc1 ZINC000012404612 182873583 /nfs/dbraw/zinc/87/35/83/182873583.db2.gz ZQFOLJRJRIULOB-GFCCVEGCSA-N -1 0 229.235 1.975 50 0 BDAARM CCCN(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000035347777 169060897 /nfs/dbraw/zinc/06/08/97/169060897.db2.gz MHIMTAVCELDSHK-UHFFFAOYSA-N -1 0 221.256 1.867 50 0 BDAARM CCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1C1CC1 ZINC000133717636 169097601 /nfs/dbraw/zinc/09/76/01/169097601.db2.gz SCOOWJIBCHYZHL-UWVGGRQHSA-N -1 0 225.288 1.356 50 0 BDAARM O=c1[n-]c(C(F)(F)F)nc2[nH]cnc21 ZINC000008764179 183308253 /nfs/dbraw/zinc/30/82/53/183308253.db2.gz SLPBZJPJRTYAPU-UHFFFAOYSA-N -1 0 204.111 1.077 50 0 BDAARM CCCN1Cc2cccc(C(=O)[O-])c2C1=O ZINC000004960805 169211772 /nfs/dbraw/zinc/21/17/72/169211772.db2.gz PDPFTZLBVUSROP-UHFFFAOYSA-N -1 0 219.240 1.751 50 0 BDAARM CCCNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000001739647 169213870 /nfs/dbraw/zinc/21/38/70/169213870.db2.gz UJLMZFCWDFDQQD-UHFFFAOYSA-N -1 0 227.304 1.938 50 0 BDAARM CCCc1nc(C)c(C(=O)NCC(=O)[O-])s1 ZINC000095399192 169585768 /nfs/dbraw/zinc/58/57/68/169585768.db2.gz PEWZRNQBEJEAJQ-UHFFFAOYSA-N -1 0 242.300 1.218 50 0 BDAARM CCCn1c2ccccc2nc1S(=O)(=O)[O-] ZINC000169340469 169614218 /nfs/dbraw/zinc/61/42/18/169614218.db2.gz FWKRDYUGOORJQT-UHFFFAOYSA-N -1 0 240.284 1.693 50 0 BDAARM O=C([O-])C1(O)c2ccccc2-c2ccccc21 ZINC000000043476 383819774 /nfs/dbraw/zinc/81/97/74/383819774.db2.gz GXAMYUGOODKVRM-UHFFFAOYSA-N -1 0 226.231 1.988 50 0 in-vitro BDAARM O=C([O-])Cn1c(=O)sc2ccccc21 ZINC000000088574 383824015 /nfs/dbraw/zinc/82/40/15/383824015.db2.gz SXOCCTHWTPGZHT-UHFFFAOYSA-N -1 0 209.226 1.148 50 0 BDAARM CC(=O)Nc1ccccc1CCC(=O)[O-] ZINC000000373292 383858697 /nfs/dbraw/zinc/85/86/97/383858697.db2.gz GDZLBTKQQOHKGU-UHFFFAOYSA-N -1 0 207.229 1.662 50 0 BDAARM O=C([O-])/C=C/c1cccc(N2C(=O)C=CC2=O)c1 ZINC000000174805 383868641 /nfs/dbraw/zinc/86/86/41/383868641.db2.gz DKXPBFNKTVUWCP-QPJJXVBHSA-N -1 0 243.218 1.214 50 0 BDAARM Cn1nccc1[N-]S(=O)(=O)c1ccccc1 ZINC000000116724 383829185 /nfs/dbraw/zinc/82/91/85/383829185.db2.gz ZCUMVNZLSAFCJS-UHFFFAOYSA-N -1 0 237.284 1.221 50 0 BDAARM CC(=O)c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1 ZINC000000151633 383832777 /nfs/dbraw/zinc/83/27/77/383832777.db2.gz CLQPPQKOHRGIFH-UHFFFAOYSA-N -1 0 231.207 1.429 50 0 BDAARM O=C([O-])CN1C(=O)C(F)(F)Oc2ccccc21 ZINC000088611540 383915030 /nfs/dbraw/zinc/91/50/30/383915030.db2.gz CEFGMITYUMVYAJ-UHFFFAOYSA-N -1 0 243.165 1.089 50 0 BDAARM O=C([O-])CS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000001732152 383930919 /nfs/dbraw/zinc/93/09/19/383930919.db2.gz YYXBXAYHHCTPEF-UHFFFAOYSA-N -1 0 248.687 1.339 50 0 BDAARM CC(C)CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000864318 383883420 /nfs/dbraw/zinc/88/34/20/383883420.db2.gz NJDLTLNVUIGTNW-UWVGGRQHSA-N -1 0 227.304 1.650 50 0 BDAARM C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)[O-] ZINC000001529316 383903078 /nfs/dbraw/zinc/90/30/78/383903078.db2.gz AUTOLBMXDDTRRT-YUMQZZPRSA-N -1 0 214.265 1.091 50 0 in-vitro BDAARM O=C([O-])CC[P@@](=O)([O-])C[NH+]1CCCCCC1 ZINC000000266007 383995617 /nfs/dbraw/zinc/99/56/17/383995617.db2.gz RUUBKIYPJXOWKD-UHFFFAOYSA-N -1 0 249.247 1.565 50 0 BDAARM O=C([O-])c1ccc(OCC(F)F)nc1 ZINC000089794209 383997075 /nfs/dbraw/zinc/99/70/75/383997075.db2.gz CJWFZYNDCTZHEP-UHFFFAOYSA-N -1 0 203.144 1.424 50 0 BDAARM O=C([O-])CCCCCNC(=O)c1cccnc1 ZINC000001814786 383936104 /nfs/dbraw/zinc/93/61/04/383936104.db2.gz ALBSCFOQDIEZGC-UHFFFAOYSA-N -1 0 236.271 1.456 50 0 biogenic BDAARM CC(=O)N[C@H](CSc1ccccc1)C(=O)[O-] ZINC000001758407 383936324 /nfs/dbraw/zinc/93/63/24/383936324.db2.gz CICOZWHZVMOPJS-SNVBAGLBSA-N -1 0 239.296 1.368 50 0 endogenous,in-man BDAARM O=C([O-])Cc1cn2nc(Cl)ccc2n1 ZINC000002024735 383944037 /nfs/dbraw/zinc/94/40/37/383944037.db2.gz YMOMJMMXKDFINU-UHFFFAOYSA-N -1 0 211.608 1.010 50 0 BDAARM CC(C)[C@@H](NC(=O)NC1CCCCC1)C(=O)[O-] ZINC000002455977 383964111 /nfs/dbraw/zinc/96/41/11/383964111.db2.gz LYSPLFOJTNNDFB-SNVBAGLBSA-N -1 0 242.319 1.728 50 0 BDAARM O=C1[N-]C(=O)/C(=C/c2ccc(Cl)cc2)N1 ZINC000002566911 383976451 /nfs/dbraw/zinc/97/64/51/383976451.db2.gz NXSHAXRMBPQCIM-YVMONPNESA-N -1 0 222.631 1.520 50 0 BDAARM O=C([O-])CS[C@H](O)C(=O)c1ccccc1 ZINC000003300096 384005214 /nfs/dbraw/zinc/00/52/14/384005214.db2.gz PXMFTQGDYRMEFO-JTQLQIEISA-N -1 0 226.253 1.006 50 0 BDAARM O=C([O-])CC(=O)OCCc1ccccc1 ZINC000113859237 384010927 /nfs/dbraw/zinc/01/09/27/384010927.db2.gz XUWSQRZZDCBBRF-UHFFFAOYSA-N -1 0 208.213 1.247 50 0 BDAARM Cc1noc(-c2ccccc2OCC(=O)[O-])n1 ZINC000004130260 384043062 /nfs/dbraw/zinc/04/30/62/384043062.db2.gz DDAJFRMJQIHYRE-UHFFFAOYSA-N -1 0 234.211 1.508 50 0 BDAARM CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000003866354 384031484 /nfs/dbraw/zinc/03/14/84/384031484.db2.gz HNQZRZNWHKVZEX-SNVBAGLBSA-N -1 0 239.246 1.665 50 0 BDAARM COCOc1cccc(C(=O)[O-])c1F ZINC000038271591 384080478 /nfs/dbraw/zinc/08/04/78/384080478.db2.gz KHWXLNCBAABGIK-UHFFFAOYSA-N -1 0 200.165 1.507 50 0 BDAARM O=C([O-])Cc1nnc(-c2cccc(F)c2)o1 ZINC000000409486 384173429 /nfs/dbraw/zinc/17/34/29/384173429.db2.gz AVMZERMZUWWISZ-UHFFFAOYSA-N -1 0 222.175 1.503 50 0 BDAARM C[C@@H](NC(=O)CO[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000237375041 384160452 /nfs/dbraw/zinc/16/04/52/384160452.db2.gz ZEFLAYZRCCYHTE-BBBLOLIVSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@]12CCC(=O)[C@H](CCC(=O)[O-])[C@@H]1CCC2=O ZINC000071774101 384177782 /nfs/dbraw/zinc/17/77/82/384177782.db2.gz PCCFNLPWOFTZPJ-ZDMBXUJBSA-N -1 0 238.283 1.816 50 0 BDAARM O=C([O-])Cc1ccn(-c2ccc(F)cc2)n1 ZINC000071790308 384179915 /nfs/dbraw/zinc/17/99/15/384179915.db2.gz KKIHTCNLUMKUPY-UHFFFAOYSA-N -1 0 220.203 1.639 50 0 BDAARM O=C([O-])c1cnn2ccc(Br)cc12 ZINC000072266009 384203933 /nfs/dbraw/zinc/20/39/33/384203933.db2.gz KPAHXGSXTRKJCE-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM O=C([O-])COc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC000008727741 384212814 /nfs/dbraw/zinc/21/28/14/384212814.db2.gz UYISJMKBRWUCCK-AATRIKPKSA-N -1 0 223.184 1.397 50 0 BDAARM CCC[C@H]1Cc2[nH]c(=O)c(C(=O)[O-])cc2CO1 ZINC000008816881 384220004 /nfs/dbraw/zinc/22/00/04/384220004.db2.gz IFBJDBRHWOQOBL-QMMMGPOBSA-N -1 0 237.255 1.727 50 0 biogenic BDAARM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[O-] ZINC000009646795 384259962 /nfs/dbraw/zinc/25/99/62/384259962.db2.gz BUVFACKZPHADQE-MRVPVSSYSA-N -1 0 217.224 1.586 50 0 BDAARM CC(=O)c1sccc1NC(=O)C=CC(=O)[O-] ZINC000000082823 384273908 /nfs/dbraw/zinc/27/39/08/384273908.db2.gz KISCMVVRNTWLOC-NSCUHMNNSA-N -1 0 239.252 1.530 50 0 BDAARM O=C([O-])CC[C@@H]([NH2+]Cc1cccs1)C(=O)[O-] ZINC000000395939 384319279 /nfs/dbraw/zinc/31/92/79/384319279.db2.gz JIWPSAHWRZGJAP-MRVPVSSYSA-N -1 0 243.284 1.156 50 0 BDAARM O=C([O-])Cc1ccccc1O[C@@H]1CCOC1 ZINC000075150410 384320234 /nfs/dbraw/zinc/32/02/34/384320234.db2.gz VHMHSFZONFBJEB-SNVBAGLBSA-N -1 0 222.240 1.481 50 0 BDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)c1ncoc1C ZINC000097035997 384294124 /nfs/dbraw/zinc/29/41/24/384294124.db2.gz WQWSBMHKCRFMHE-ZETCQYMHSA-N -1 0 240.259 1.166 50 0 BDAARM CC(C)[C@](C)(NC(=O)c1ccsc1)C(=O)[O-] ZINC000097036332 384294150 /nfs/dbraw/zinc/29/41/50/384294150.db2.gz GEVGJMPZTFMEHC-NSHDSACASA-N -1 0 241.312 1.977 50 0 BDAARM O=C([O-])CCCN1CCc2ccccc21 ZINC000011798729 384296952 /nfs/dbraw/zinc/29/69/52/384296952.db2.gz RQGLDGHRDDABEZ-UHFFFAOYSA-N -1 0 205.257 1.914 50 0 BDAARM CC[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000000280931 384300547 /nfs/dbraw/zinc/30/05/47/384300547.db2.gz DYABLFHJCQDJHY-JTQLQIEISA-N -1 0 221.256 1.209 50 0 BDAARM O=C([O-])Cc1cnnn1-c1ccccc1Cl ZINC000011888239 384300690 /nfs/dbraw/zinc/30/06/90/384300690.db2.gz HOAFAHSBLOPRCP-UHFFFAOYSA-N -1 0 237.646 1.548 50 0 BDAARM C[C@@H](NC(=O)CCc1ccccc1)C(=O)[O-] ZINC000011888917 384301673 /nfs/dbraw/zinc/30/16/73/384301673.db2.gz WHQOVJKEOBDJIV-SECBINFHSA-N -1 0 221.256 1.209 50 0 BDAARM COc1ccc2[nH]c(=O)c(CCC(=O)[O-])cc2c1 ZINC000011981994 384303605 /nfs/dbraw/zinc/30/36/05/384303605.db2.gz BZTXBQWRASGBFK-UHFFFAOYSA-N -1 0 247.250 1.554 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)[O-])OC1 ZINC000095743016 384392991 /nfs/dbraw/zinc/39/29/91/384392991.db2.gz NROSRTMHTJHLLE-JGVFFNPUSA-N -1 0 245.275 1.143 50 0 BDAARM O=C([O-])[C@H]1Cc2ccc(OC(F)F)cc2O1 ZINC000095883656 384405493 /nfs/dbraw/zinc/40/54/93/384405493.db2.gz DIDLDTDSQLKNDU-MRVPVSSYSA-N -1 0 230.166 1.676 50 0 BDAARM O=C([O-])c1cc(Br)c2nccn2c1 ZINC000076686083 384381866 /nfs/dbraw/zinc/38/18/66/384381866.db2.gz VVZFQMHWQNIOKK-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM CO[N-]C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000134762601 384387832 /nfs/dbraw/zinc/38/78/32/384387832.db2.gz JLRUPKRTPGSKIJ-UHFFFAOYSA-N -1 0 246.625 1.095 50 0 BDAARM CC(C)C[C@@H](NC(=O)C1CC=CC1)C(=O)[O-] ZINC000082865917 384445619 /nfs/dbraw/zinc/44/56/19/384445619.db2.gz TUBUGNHHPUYYDW-SNVBAGLBSA-N -1 0 225.288 1.568 50 0 BDAARM CCc1cc(-c2nc(C)nn2CC(=O)[O-])ccn1 ZINC000097604060 384536411 /nfs/dbraw/zinc/53/64/11/384536411.db2.gz DKYVCQQMTYHJKO-UHFFFAOYSA-N -1 0 246.270 1.296 50 0 BDAARM O=C([O-])CCNC(=O)c1cc2ccccc2[nH]1 ZINC000019843564 384546363 /nfs/dbraw/zinc/54/63/63/384546363.db2.gz PTQHKWPEDMLEOW-UHFFFAOYSA-N -1 0 232.239 1.372 50 0 BDAARM CSc1ncc(C(=O)[O-])c(C2CC2)n1 ZINC000097757487 384554394 /nfs/dbraw/zinc/55/43/94/384554394.db2.gz YSFYHBAGRTYOIG-UHFFFAOYSA-N -1 0 210.258 1.774 50 0 BDAARM C[C@@H](Nc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000020284925 384610906 /nfs/dbraw/zinc/61/09/06/384610906.db2.gz URBPETXETAGOGC-RXMQYKEDSA-N -1 0 234.177 1.985 50 0 BDAARM O=c1cc([O-])c2cccc3c2n1CCC3 ZINC000100295523 384630325 /nfs/dbraw/zinc/63/03/25/384630325.db2.gz MXPFUAXGAPKHPR-UHFFFAOYSA-N -1 0 201.225 1.653 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1N1CCNC1=O ZINC000020213298 384599641 /nfs/dbraw/zinc/59/96/41/384599641.db2.gz HKGJEHJBTKZCQW-UHFFFAOYSA-N -1 0 220.228 1.223 50 0 BDAARM CCc1c([O-])nc2[nH]c3ccccc3n2c1=O ZINC000101150230 384667509 /nfs/dbraw/zinc/66/75/09/384667509.db2.gz NYGGFFWYMUCHQA-UHFFFAOYSA-N -1 0 229.239 1.856 50 0 BDAARM O=C([O-])CCCNC(=O)/C=C/c1ccco1 ZINC000002821747 384671404 /nfs/dbraw/zinc/67/14/04/384671404.db2.gz XRBGNHARMCNOIN-AATRIKPKSA-N -1 0 223.228 1.274 50 0 BDAARM CC(C)c1cc(C(=O)[O-])[nH]c2n[nH]c(=O)c1-2 ZINC000100476197 384643633 /nfs/dbraw/zinc/64/36/33/384643633.db2.gz WZSGQOKSYHUKIN-UHFFFAOYSA-N -1 0 221.216 1.073 50 0 BDAARM O=C([O-])CNC(=O)c1ccc(Cl)cc1F ZINC000021953021 384710196 /nfs/dbraw/zinc/71/01/96/384710196.db2.gz MVICDGRIIQROQY-UHFFFAOYSA-N -1 0 231.610 1.294 50 0 BDAARM CO[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000079043380 384714812 /nfs/dbraw/zinc/71/48/12/384714812.db2.gz RNUSXAOKTOBQPN-ZCFIWIBFSA-N -1 0 247.653 1.924 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000082865934 384745049 /nfs/dbraw/zinc/74/50/49/384745049.db2.gz CWBFQTYHXMPEGA-JTQLQIEISA-N -1 0 223.272 1.276 50 0 BDAARM O=C([O-])C(=O)c1c[nH]c2cc(F)ccc12 ZINC000026461923 384825909 /nfs/dbraw/zinc/82/59/09/384825909.db2.gz OPWYSQHMQOHDGA-UHFFFAOYSA-N -1 0 207.160 1.574 50 0 BDAARM O=C([O-])CSC(=S)c1ccc(O)cc1 ZINC000039243682 384906379 /nfs/dbraw/zinc/90/63/79/384906379.db2.gz KQUSARLKWLRAPY-UHFFFAOYSA-N -1 0 228.294 1.886 50 0 BDAARM CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004164439 384929748 /nfs/dbraw/zinc/92/97/48/384929748.db2.gz KHDUOMPZLGJNQN-YTWAJWBKSA-N -1 0 237.299 1.426 50 0 BDAARM Cc1ccc(C)c(CC(=O)NC2(C(=O)[O-])CC2)c1 ZINC000203665581 385095954 /nfs/dbraw/zinc/09/59/54/385095954.db2.gz RRGSKTOLKKNDSS-UHFFFAOYSA-N -1 0 247.294 1.579 50 0 BDAARM Cc1ccsc1C(=O)NC1(C(=O)[O-])CC1 ZINC000096424763 385165817 /nfs/dbraw/zinc/16/58/17/385165817.db2.gz XUDIKLRVKMJRNU-UHFFFAOYSA-N -1 0 225.269 1.404 50 0 BDAARM Cc1occc1S([O-])=CC(=O)c1ccc[nH]1 ZINC000189639572 385235806 /nfs/dbraw/zinc/23/58/06/385235806.db2.gz LTRJSBIIOVMQTC-MRXNPFEDSA-N -1 0 237.280 1.907 50 0 BDAARM Cc1ccc(O)c(Nc2nncc(=O)[n-]2)c1 ZINC000008914356 385306310 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CN(C(=O)CCCC(=O)[O-])c1ccccc1 ZINC000016890919 172302904 /nfs/dbraw/zinc/30/29/04/172302904.db2.gz VGVNCIIEPIFEPO-UHFFFAOYSA-N -1 0 221.256 1.904 50 0 BDAARM CN(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002524684 172381870 /nfs/dbraw/zinc/38/18/70/172381870.db2.gz DKSNZGIASOHSLG-UHFFFAOYSA-N -1 0 208.217 1.478 50 0 BDAARM CN(CCC(=O)[O-])C(=O)CCC1CCOCC1 ZINC000299748540 172668811 /nfs/dbraw/zinc/66/88/11/172668811.db2.gz HKFZUHRTGAKYRP-UHFFFAOYSA-N -1 0 243.303 1.126 50 0 BDAARM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C1(C)C ZINC000003172356 173731053 /nfs/dbraw/zinc/73/10/53/173731053.db2.gz GUWTYPYGDNFFPO-BQBZGAKWSA-N -1 0 200.234 1.296 50 0 BDAARM COC(=O)c1cc(/C=C/C(=O)[O-])oc1C ZINC000007975011 173848148 /nfs/dbraw/zinc/84/81/48/173848148.db2.gz YSASBCPSKJYHQL-ONEGZZNKSA-N -1 0 210.185 1.472 50 0 BDAARM COC(=O)c1cccc2[nH]nc(C(=O)[O-])c21 ZINC000002507145 173898520 /nfs/dbraw/zinc/89/85/20/173898520.db2.gz CKVJKVLASYGMJX-UHFFFAOYSA-N -1 0 220.184 1.048 50 0 BDAARM COc1cc(OC)c(F)c(C(=O)[O-])c1 ZINC000039090735 175007051 /nfs/dbraw/zinc/00/70/51/175007051.db2.gz RJXGLFJDVUJJGM-UHFFFAOYSA-N -1 0 200.165 1.541 50 0 BDAARM COc1cc(OCCCC(=O)[O-])ccc1CO ZINC000002526324 175012399 /nfs/dbraw/zinc/01/23/99/175012399.db2.gz HXOYWJCDYVODON-UHFFFAOYSA-N -1 0 240.255 1.431 50 0 BDAARM COc1ccc(-c2cc(C(=O)[O-])n[nH]2)c(OC)c1 ZINC000006848817 175030675 /nfs/dbraw/zinc/03/06/75/175030675.db2.gz NNRQDSXAXNEQKQ-UHFFFAOYSA-N -1 0 248.238 1.792 50 0 BDAARM COc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1OC ZINC000006848842 175030895 /nfs/dbraw/zinc/03/08/95/175030895.db2.gz OQDOERKDGCEBFR-UHFFFAOYSA-N -1 0 248.238 1.792 50 0 BDAARM COc1ccc(-n2nc(C(=O)[O-])cc2C)cc1 ZINC000008700395 175045053 /nfs/dbraw/zinc/04/50/53/175045053.db2.gz AONXPDKLYJASOS-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM COc1ccc(/C=C\C(=O)[O-])cc1OC ZINC000006007189 175048454 /nfs/dbraw/zinc/04/84/54/175048454.db2.gz HJBWJAPEBGSQPR-XQRVVYSFSA-N -1 0 208.213 1.802 50 0 biogenic,in-vitro BDAARM COc1ccc(C(=O)[O-])cc1Cn1cccn1 ZINC000000801660 175064778 /nfs/dbraw/zinc/06/47/78/175064778.db2.gz DCVDNCLNIKXKHF-UHFFFAOYSA-N -1 0 232.239 1.638 50 0 BDAARM COc1ccc(C)cc1-n1nn[n-]c1=S ZINC000006404479 175073353 /nfs/dbraw/zinc/07/33/53/175073353.db2.gz RIPLVSZIYHAJGD-UHFFFAOYSA-N -1 0 222.273 1.268 50 0 BDAARM COc1ccc(C)cc1NCCC(=O)[O-] ZINC000020376562 175078691 /nfs/dbraw/zinc/07/86/91/175078691.db2.gz PQMZFTXBFKYCMC-UHFFFAOYSA-N -1 0 209.245 1.890 50 0 BDAARM COc1ccc(CCC(=O)[O-])c(OC)c1OC ZINC000002140918 175088661 /nfs/dbraw/zinc/08/86/61/175088661.db2.gz QOPNYPCVRBRZOP-UHFFFAOYSA-N -1 0 240.255 1.730 50 0 BDAARM COc1ccc(CN2C(=O)CC[C@H]2C(=O)[O-])cc1 ZINC000000395915 175097438 /nfs/dbraw/zinc/09/74/38/175097438.db2.gz FWFUCUAZXZTVKU-NSHDSACASA-N -1 0 249.266 1.271 50 0 BDAARM COc1ccc(F)c(F)c1CC(=O)[O-] ZINC000002528407 175125369 /nfs/dbraw/zinc/12/53/69/175125369.db2.gz SPSVPCOXZRUNQI-UHFFFAOYSA-N -1 0 202.156 1.601 50 0 BDAARM COc1ccc(NC(=O)CC(=O)[O-])cc1 ZINC000003125135 175141063 /nfs/dbraw/zinc/14/10/63/175141063.db2.gz RCVPARJLXXAYQW-UHFFFAOYSA-N -1 0 209.201 1.108 50 0 BDAARM COc1ccc([C@H](O)C(=O)[O-])cc1Cl ZINC000000395709 175193047 /nfs/dbraw/zinc/19/30/47/175193047.db2.gz CRCOCWUKCBKJJH-QMMMGPOBSA-N -1 0 216.620 1.467 50 0 BDAARM COc1ccc2onc(CC(=O)[O-])c2c1 ZINC000019946270 175232042 /nfs/dbraw/zinc/23/20/42/175232042.db2.gz RNSRRFHVEAJNEJ-UHFFFAOYSA-N -1 0 207.185 1.464 50 0 BDAARM COc1cccc(-c2noc(CCC(=O)[O-])n2)c1 ZINC000004563899 175239005 /nfs/dbraw/zinc/23/90/05/175239005.db2.gz OAQGUCLRBDBMQR-UHFFFAOYSA-N -1 0 248.238 1.762 50 0 BDAARM COc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000000407938 175241948 /nfs/dbraw/zinc/24/19/48/175241948.db2.gz BYHZTXJBKDZSHX-UHFFFAOYSA-N -1 0 208.213 1.743 50 0 BDAARM COc1cccc(C2=NO[C@H](C(=O)[O-])C2)c1 ZINC000012396754 175249264 /nfs/dbraw/zinc/24/92/64/175249264.db2.gz NJIQUJAJLOOAOX-JTQLQIEISA-N -1 0 221.212 1.273 50 0 BDAARM COc1cccc(Cl)c1[C@@H]1OC(=O)[N-]C1=O ZINC000027865631 175273673 /nfs/dbraw/zinc/27/36/73/175273673.db2.gz CUMROJNWXHIHIV-QMMMGPOBSA-N -1 0 241.630 1.656 50 0 BDAARM COc1cccc([C@H]2O[C@H]2C(=O)[O-])c1OC ZINC000002155682 175296979 /nfs/dbraw/zinc/29/69/79/175296979.db2.gz IQSMAZGCLQABEP-NXEZZACHSA-N -1 0 224.212 1.228 50 0 BDAARM COc1cccc2c(=O)c(C(=O)[O-])cn(C)c12 ZINC000026507957 175298232 /nfs/dbraw/zinc/29/82/32/175298232.db2.gz LALQCDCNTGGOTK-UHFFFAOYSA-N -1 0 233.223 1.245 50 0 biogenic BDAARM COc1cccc2c1OC[C@H](C(=O)[O-])C2 ZINC000002599399 175304674 /nfs/dbraw/zinc/30/46/74/175304674.db2.gz FTXQMXYVEKCYAO-MRVPVSSYSA-N -1 0 208.213 1.331 50 0 BDAARM COc1ccccc1[C@H]1[C@@H](C(=O)[O-])CC(=O)N1C ZINC000040162860 175355107 /nfs/dbraw/zinc/35/51/07/175355107.db2.gz PIIHILKJSXOOPP-CABZTGNLSA-N -1 0 249.266 1.299 50 0 BDAARM C[C@@H](NC(=O)CCC1CCCCC1)C(=O)[O-] ZINC000019404678 175830100 /nfs/dbraw/zinc/83/01/00/175830100.db2.gz UCJDRRWORMCSMU-SECBINFHSA-N -1 0 227.304 1.936 50 0 BDAARM C[C@@H](O)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000006283189 176000742 /nfs/dbraw/zinc/00/07/42/176000742.db2.gz DJTZCUDCEWMZBL-RXMQYKEDSA-N -1 0 206.201 1.314 50 0 BDAARM C[C@@H](Oc1cccc2c(=O)[nH]ccc12)C(=O)[O-] ZINC000036690020 176005218 /nfs/dbraw/zinc/00/52/18/176005218.db2.gz FMVZCHNNXNZHBS-SSDOTTSWSA-N -1 0 233.223 1.380 50 0 BDAARM C[C@@H](c1ccccc1)N1C[C@H](C(=O)[O-])CC1=O ZINC000000128967 176021540 /nfs/dbraw/zinc/02/15/40/176021540.db2.gz CFGKWSDAMXTRHE-GXSJLCMTSA-N -1 0 233.267 1.681 50 0 BDAARM C[C@@H]1CCCCN1C(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000034926427 176069864 /nfs/dbraw/zinc/06/98/64/176069864.db2.gz KGENRCCKPMOQGZ-OPRDCNLKSA-N -1 0 239.315 1.744 50 0 BDAARM C[C@H](C(=O)[O-])N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000265219979 176316236 /nfs/dbraw/zinc/31/62/36/176316236.db2.gz GLXBRWPDXDALMM-WZRBSPASSA-N -1 0 249.310 1.922 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)NCc1ccccc1 ZINC000004784810 176601595 /nfs/dbraw/zinc/60/15/95/176601595.db2.gz UQLRSEKVPWFODW-JTQLQIEISA-N -1 0 235.283 1.804 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)C1CCCCCC1 ZINC000053713452 176601670 /nfs/dbraw/zinc/60/16/70/176601670.db2.gz UGRRGOHTTZVEKN-SECBINFHSA-N -1 0 227.304 1.936 50 0 BDAARM C[C@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000039440 176805596 /nfs/dbraw/zinc/80/55/96/176805596.db2.gz SWIUEMANOAFYHY-ZETCQYMHSA-N -1 0 208.217 1.281 50 0 biogenic,in-vitro BDAARM C[C@H]1CCN(c2cc(C(=O)[O-])ccn2)C1 ZINC000040725182 177171334 /nfs/dbraw/zinc/17/13/34/177171334.db2.gz RRORMRIOTRAKRM-QMMMGPOBSA-N -1 0 206.245 1.626 50 0 BDAARM C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000035570873 177222420 /nfs/dbraw/zinc/22/24/20/177222420.db2.gz IPLCSDCAWNDONJ-YUMQZZPRSA-N -1 0 229.276 1.574 50 0 BDAARM C[C@H]1CO[C@@H](c2ccccc2)CN1CC(=O)[O-] ZINC000265289671 177301146 /nfs/dbraw/zinc/30/11/46/177301146.db2.gz ZDAVURGEUUEMDE-CMPLNLGQSA-N -1 0 235.283 1.533 50 0 BDAARM C[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000015442582 177309294 /nfs/dbraw/zinc/30/92/94/177309294.db2.gz MXKSXPYZNXUHEZ-YUMQZZPRSA-N -1 0 229.276 1.717 50 0 BDAARM C[C@H]1C[C@H]1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013448998 177376122 /nfs/dbraw/zinc/37/61/22/177376122.db2.gz VHWQJLNKTOVFNF-GZMMTYOYSA-N -1 0 245.278 1.930 50 0 BDAARM Cc1c(NS(C)(=O)=O)cccc1C(=O)[O-] ZINC000061857464 177620455 /nfs/dbraw/zinc/62/04/55/177620455.db2.gz VSVAPZZWDQDJHY-UHFFFAOYSA-N -1 0 229.257 1.065 50 0 BDAARM O=C([O-])c1ccc(Cn2nnc(C3CC3)n2)cc1 ZINC000564445142 322946946 /nfs/dbraw/zinc/94/69/46/322946946.db2.gz ZOGKQUHWNWVLPK-UHFFFAOYSA-N -1 0 244.254 1.297 50 0 BDAARM CC(C)C[C@@H](NC(=O)CCCCl)C(=O)[O-] ZINC000003913554 487902391 /nfs/dbraw/zinc/90/23/91/487902391.db2.gz KWWZJYCJXZFCRX-MRVPVSSYSA-N -1 0 235.711 1.621 50 0 BDAARM CC(C)(NC(=O)C1CCC1)C(C)(C)C(=O)[O-] ZINC000083643882 487926473 /nfs/dbraw/zinc/92/64/73/487926473.db2.gz KKYFNKYLTQMAKH-UHFFFAOYSA-N -1 0 227.304 1.792 50 0 BDAARM COc1cc(C(=O)[O-])cc(-c2cncnc2)n1 ZINC000534652407 323157669 /nfs/dbraw/zinc/15/76/69/323157669.db2.gz KUYNLVNHWCQQOZ-UHFFFAOYSA-N -1 0 231.211 1.245 50 0 BDAARM Cn1nccc1-c1ncc(C(=O)[O-])cc1Cl ZINC000409436545 323172592 /nfs/dbraw/zinc/17/25/92/323172592.db2.gz HFFMVLYKRDGREC-UHFFFAOYSA-N -1 0 237.646 1.834 50 0 BDAARM CC/C=C(/C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091293143 488041250 /nfs/dbraw/zinc/04/12/50/488041250.db2.gz KANMQQCCGJCMSM-ZUYFITGHSA-N -1 0 241.287 1.045 50 0 BDAARM CC1(C)CCCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000087659948 520320334 /nfs/dbraw/zinc/32/03/34/520320334.db2.gz IDRDUKRUEBJBIS-UHFFFAOYSA-N -1 0 239.315 1.890 50 0 BDAARM O=C([O-])c1ccncc1NC(=O)C(F)(F)F ZINC000070655497 526399973 /nfs/dbraw/zinc/39/99/73/526399973.db2.gz GJWUKGILXOBNHX-UHFFFAOYSA-N -1 0 234.133 1.281 50 0 BDAARM O=C([O-])C[C@H](n1ccnc1)C(F)(F)F ZINC000062757410 527634269 /nfs/dbraw/zinc/63/42/69/527634269.db2.gz RYJWYVIXGBZFTF-YFKPBYRVSA-N -1 0 208.139 1.461 50 0 BDAARM CC(C)c1nnc(N2CC(C(=O)[O-])C2)s1 ZINC000263553801 534993255 /nfs/dbraw/zinc/99/32/55/534993255.db2.gz MUPQKAGYWQYYPO-UHFFFAOYSA-N -1 0 227.289 1.182 50 0 BDAARM O=C([O-])CNC(=O)c1ccc(OCC2CC2)cc1 ZINC000090695034 597022286 /nfs/dbraw/zinc/02/22/86/597022286.db2.gz MHSNFEIQNCCZEC-UHFFFAOYSA-N -1 0 249.266 1.290 50 0 BDAARM O=C([O-])CCCCC[C@@H]1CCNC(=O)N1 ZINC000002485288 642378035 /nfs/dbraw/zinc/37/80/35/642378035.db2.gz QYIKHFHOTWVFHY-MRVPVSSYSA-N -1 0 214.265 1.093 50 0 BDAARM CCc1n[n-]c(=NCc2ncc(C)n2C)s1 ZINC000390629720 712422841 /nfs/dbraw/zinc/42/28/41/712422841.db2.gz KTOQGXMMLHOFSE-UHFFFAOYSA-N -1 0 237.332 1.176 50 0 BDAARM COC(=O)[C@H]1CCN1c1ccccc1C(=O)[O-] ZINC000725345401 711664087 /nfs/dbraw/zinc/66/40/87/711664087.db2.gz OIOUYELDHZTSEI-SNVBAGLBSA-N -1 0 235.239 1.137 50 0 BDAARM COC(=O)[C@@H]1CCN1c1ccc(C(=O)[O-])cc1 ZINC000725345099 711664571 /nfs/dbraw/zinc/66/45/71/711664571.db2.gz GCTBSVMQYGFORA-JTQLQIEISA-N -1 0 235.239 1.137 50 0 BDAARM Cn1cc(C(=O)[O-])c(-c2cccc(F)c2)n1 ZINC000036894491 712513215 /nfs/dbraw/zinc/51/32/15/712513215.db2.gz ZVMCMFWSXRYFSG-UHFFFAOYSA-N -1 0 220.203 1.924 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@@H]1c1nc(=S)[nH][nH]1 ZINC000005816940 983880362 /nfs/dbraw/zinc/88/03/62/983880362.db2.gz DYLXWYPNDHPRPQ-WDSKDSINSA-N -1 0 227.289 1.826 50 0 BDAARM Cc1cc(C)n(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000000214436 177921956 /nfs/dbraw/zinc/92/19/56/177921956.db2.gz HEVSAZDNJFDDDR-QWRGUYRKSA-N -1 0 248.282 1.807 50 0 BDAARM CCC(CC)(CNC(=O)[C@H]1CCOC1)C(=O)[O-] ZINC000137630437 168325365 /nfs/dbraw/zinc/32/53/65/168325365.db2.gz CPZYACODHRBATC-VIFPVBQESA-N -1 0 243.303 1.030 50 0 BDAARM Cn1ncnc1NC(=O)Nc1ccsc1 ZINC000170605382 361795123 /nfs/dbraw/zinc/79/51/23/361795123.db2.gz YAXVMVCRQKBIFK-UHFFFAOYSA-N -1 0 223.261 1.521 50 0 BDAARM Cc1cc2nc3c(c(=O)n2[n-]1)CCCC3 ZINC000013111920 178276825 /nfs/dbraw/zinc/27/68/25/178276825.db2.gz FJCBIMKPPOPDQM-UHFFFAOYSA-N -1 0 203.245 1.210 50 0 BDAARM Cc1nn(-c2ccc(C)cc2)nc1C(=O)[O-] ZINC000005417140 178348514 /nfs/dbraw/zinc/34/85/14/178348514.db2.gz RYGMBAPUMONJEJ-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM C[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000000170226 342679184 /nfs/dbraw/zinc/67/91/84/342679184.db2.gz XBPWPQBDGZFHQI-SSDOTTSWSA-N -1 0 205.213 1.116 50 0 BDAARM Cc1cc(C)n(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000000214439 342680381 /nfs/dbraw/zinc/68/03/81/342680381.db2.gz HEVSAZDNJFDDDR-MNOVXSKESA-N -1 0 248.282 1.807 50 0 BDAARM Cc1ccc(CS(=O)(=O)CCC(=O)[O-])cc1 ZINC000000259882 342681722 /nfs/dbraw/zinc/68/17/22/342681722.db2.gz WXIZKTAKGPSNNP-UHFFFAOYSA-N -1 0 242.296 1.385 50 0 BDAARM Nc1ccccc1NC(=O)CCC(=O)[O-] ZINC000000292603 342682319 /nfs/dbraw/zinc/68/23/19/342682319.db2.gz PXKDLCISTGCYEV-UHFFFAOYSA-N -1 0 208.217 1.072 50 0 BDAARM Cc1oc(CN2CCOCC2)cc1C(=O)[O-] ZINC000000302560 342682833 /nfs/dbraw/zinc/68/28/33/342682833.db2.gz PKBZNPNFTAYUHE-UHFFFAOYSA-N -1 0 225.244 1.118 50 0 BDAARM C[C@@H](/N=c1\sc2ccccc2n1C)C(=O)[O-] ZINC000000408944 342686951 /nfs/dbraw/zinc/68/69/51/342686951.db2.gz OMWVRRYSTZHATK-ZCCYMHNXSA-N -1 0 236.296 1.614 50 0 BDAARM CCCc1cc(=O)n(-c2ccc(C(=O)[O-])cc2)[nH]1 ZINC000000618864 342690985 /nfs/dbraw/zinc/69/09/85/342690985.db2.gz WZYVGPOGJAMEHI-UHFFFAOYSA-N -1 0 246.266 1.816 50 0 BDAARM O=C1[N-]C(=O)[C@H](Nc2ccccc2)S1 ZINC000001201500 342698405 /nfs/dbraw/zinc/69/84/05/342698405.db2.gz CZKJOYVNKGANKU-MRVPVSSYSA-N -1 0 208.242 1.408 50 0 BDAARM O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F ZINC000002022420 342714733 /nfs/dbraw/zinc/71/47/33/342714733.db2.gz IKMBXKGUMLSBOT-UHFFFAOYSA-N -1 0 248.128 1.629 50 0 BDAARM Cc1cc(=O)oc2ccc(O)c(C=O)c12 ZINC000004099545 342742218 /nfs/dbraw/zinc/74/22/18/342742218.db2.gz SOZAYZHWOYQKCU-UHFFFAOYSA-N -1 0 204.181 1.620 50 0 BDAARM O=C([O-])c1ccc2c(c1)NC(=O)CCS2 ZINC000004204373 342743970 /nfs/dbraw/zinc/74/39/70/342743970.db2.gz LPFHJSPWVVGCID-UHFFFAOYSA-N -1 0 223.253 1.819 50 0 BDAARM Cc1nc(CSCC(=O)[O-])cs1 ZINC000004218839 342744675 /nfs/dbraw/zinc/74/46/75/342744675.db2.gz JIKOHTMQEPJNFC-UHFFFAOYSA-N -1 0 203.288 1.769 50 0 BDAARM Nc1cc(=O)[nH]c(N2CCc3ccccc32)n1 ZINC000004386431 342747318 /nfs/dbraw/zinc/74/73/18/342747318.db2.gz VVPRPPCTZQISAB-UHFFFAOYSA-N -1 0 228.255 1.046 50 0 BDAARM O=C([O-])C1=NC(=O)N[C@H](c2ccc(F)cc2)C1 ZINC000004502379 342748319 /nfs/dbraw/zinc/74/83/19/342748319.db2.gz DPMWQYJWPHGZOF-QMMMGPOBSA-N -1 0 236.202 1.148 50 0 BDAARM CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000004519986 342748507 /nfs/dbraw/zinc/74/85/07/342748507.db2.gz CSSQXZIEIAKRFC-QMMMGPOBSA-N -1 0 224.212 1.657 50 0 BDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccccc2)N1 ZINC000002456051 342720945 /nfs/dbraw/zinc/72/09/45/342720945.db2.gz KFBHKNNDUHHZKT-QWRGUYRKSA-N -1 0 243.266 1.098 50 0 BDAARM CC(C)(C)N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000002486709 342721380 /nfs/dbraw/zinc/72/13/80/342721380.db2.gz XBMWXWYNYYVTMK-UHFFFAOYSA-N -1 0 247.250 1.779 50 0 BDAARM O=C([O-])c1cnn2c1NCC[C@H]2C(F)(F)F ZINC000002537083 342723278 /nfs/dbraw/zinc/72/32/78/342723278.db2.gz NIAZXMDUIWSZGJ-YFKPBYRVSA-N -1 0 235.165 1.500 50 0 BDAARM COc1cc(CC(=O)[O-])cc(OC)c1O ZINC000002566064 342724553 /nfs/dbraw/zinc/72/45/53/342724553.db2.gz BQBQKSSTFGCRQL-UHFFFAOYSA-N -1 0 212.201 1.037 50 0 BDAARM COC(=O)C=C([O-])c1cccc(OC)c1 ZINC000002574184 342724916 /nfs/dbraw/zinc/72/49/16/342724916.db2.gz LWDDRIZJCLYGJZ-UHFFFAOYSA-N -1 0 208.213 1.441 50 0 BDAARM COC(=O)C=C([O-])c1ccccc1OC ZINC000002575880 342725211 /nfs/dbraw/zinc/72/52/11/342725211.db2.gz OEIWRCBBMGTEMA-UHFFFAOYSA-N -1 0 208.213 1.441 50 0 BDAARM O=C([O-])c1nn2cccnc2c1Br ZINC000002578479 342725509 /nfs/dbraw/zinc/72/55/09/342725509.db2.gz JEBAERKIRWXWQL-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM COC(=O)CSc1ccsc1C(=O)[O-] ZINC000003883173 342738891 /nfs/dbraw/zinc/73/88/91/342738891.db2.gz KZWRGFMRINRZOC-UHFFFAOYSA-N -1 0 232.282 1.711 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)NCCc1ccccc1 ZINC000004784835 342752039 /nfs/dbraw/zinc/75/20/39/342752039.db2.gz OYMMAXHIFBIWKQ-NSHDSACASA-N -1 0 249.310 1.846 50 0 BDAARM CCCC1(c2ccccc2)C(=O)NC(=O)NC1=O ZINC000005649448 342767920 /nfs/dbraw/zinc/76/79/20/342767920.db2.gz PZJHUAYFFQDUHV-UHFFFAOYSA-N -1 0 246.266 1.091 50 0 BDAARM Cc1cc(=O)n2[n-]cc(-c3ccccc3)c2n1 ZINC000005730279 342769193 /nfs/dbraw/zinc/76/91/93/342769193.db2.gz NXJNTVMGTNTPPL-UHFFFAOYSA-N -1 0 225.251 1.998 50 0 BDAARM O=C([O-])c1cncc(I)c1 ZINC000006091394 342773502 /nfs/dbraw/zinc/77/35/02/342773502.db2.gz UPFHREFMESXXLW-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM CSc1ncc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000006857804 342784714 /nfs/dbraw/zinc/78/47/14/342784714.db2.gz ZKPUESBDOBYRQN-UHFFFAOYSA-N -1 0 238.190 1.916 50 0 BDAARM CCCCCCNC(=O)CCC(=O)[O-] ZINC000002835859 342787745 /nfs/dbraw/zinc/78/77/45/342787745.db2.gz ZRQYQCSFTIVKRT-UHFFFAOYSA-N -1 0 201.266 1.548 50 0 BDAARM Cn1c(C=O)c(Br)cc1C(=O)[O-] ZINC000008329237 342798100 /nfs/dbraw/zinc/79/81/00/342798100.db2.gz HGBXJHMKEDXJRY-UHFFFAOYSA-N -1 0 232.033 1.298 50 0 BDAARM CCN(C(=O)NCCC(=O)[O-])c1ccccc1 ZINC000009576345 342821184 /nfs/dbraw/zinc/82/11/84/342821184.db2.gz KLJVQGJTVTXDND-UHFFFAOYSA-N -1 0 236.271 1.697 50 0 BDAARM CCCn1c2c(c(=S)[nH]c1=O)CCC2 ZINC000008737578 342804048 /nfs/dbraw/zinc/80/40/48/342804048.db2.gz UAKTYARENBGVDA-UHFFFAOYSA-N -1 0 210.302 1.805 50 0 BDAARM Nc1c(C(=O)[O-])cnc2c(F)cccc12 ZINC000014988290 342890458 /nfs/dbraw/zinc/89/04/58/342890458.db2.gz ZAQWDAXYUKQODW-UHFFFAOYSA-N -1 0 206.176 1.654 50 0 BDAARM Cn1c(=O)nc(C(=O)[O-])cc1-c1ccccc1 ZINC000019702638 342954180 /nfs/dbraw/zinc/95/41/80/342954180.db2.gz ZPKRSBLFSOBVTJ-UHFFFAOYSA-N -1 0 230.223 1.146 50 0 BDAARM COc1cc(C)ccc1O[C@@H](C)C(=O)[O-] ZINC000019405271 342947660 /nfs/dbraw/zinc/94/76/60/342947660.db2.gz OQNXISSMDJEBLB-QMMMGPOBSA-N -1 0 210.229 1.856 50 0 BDAARM Cc1ccc(N2CCCC2=O)c(C(=O)[O-])c1 ZINC000019807116 342958610 /nfs/dbraw/zinc/95/86/10/342958610.db2.gz QRLUZUUCMRSYKO-UHFFFAOYSA-N -1 0 219.240 1.820 50 0 BDAARM O=C([O-])c1cn(-c2cccc(Cl)c2)nn1 ZINC000020216562 342977823 /nfs/dbraw/zinc/97/78/23/342977823.db2.gz OEXGDURKRPWFBF-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM Cc1cc(=O)[nH]c(CNC(=O)c2ccccc2)n1 ZINC000020031597 342966671 /nfs/dbraw/zinc/96/66/71/342966671.db2.gz CJZCJBGDGNEDPL-UHFFFAOYSA-N -1 0 243.266 1.008 50 0 BDAARM O=C([O-])c1ccc(CS(=O)(=O)C(F)F)o1 ZINC000020283882 342980342 /nfs/dbraw/zinc/98/03/42/342980342.db2.gz MHYQIEBLGBYRJF-UHFFFAOYSA-N -1 0 240.183 1.115 50 0 BDAARM Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000020285166 342980685 /nfs/dbraw/zinc/98/06/85/342980685.db2.gz BAHCEYWWLYTXNC-CYBMUJFWSA-N -1 0 249.310 1.763 50 0 BDAARM CCOc1ccc2c(c1)C=C(C(=O)[O-])CO2 ZINC000020284858 342980706 /nfs/dbraw/zinc/98/07/06/342980706.db2.gz GWKGNUKTYMOOGB-UHFFFAOYSA-N -1 0 220.224 1.946 50 0 BDAARM Cn1cc(NCc2ccc(F)cc2)c(C(=O)[O-])n1 ZINC000020354082 342982858 /nfs/dbraw/zinc/98/28/58/342982858.db2.gz KIXNIUAETWSGQI-UHFFFAOYSA-N -1 0 249.245 1.870 50 0 BDAARM CCOc1ncc(Br)cc1C(=O)[O-] ZINC000020357519 342983096 /nfs/dbraw/zinc/98/30/96/342983096.db2.gz WWLDXHCDXKRRTC-UHFFFAOYSA-N -1 0 246.060 1.941 50 0 BDAARM O=C([O-])c1ccccc1C(=O)c1cnccn1 ZINC000020357720 342983275 /nfs/dbraw/zinc/98/32/75/342983275.db2.gz KCAUUIOCDVHRPH-UHFFFAOYSA-N -1 0 228.207 1.406 50 0 BDAARM Cc1ccoc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000022147639 343042443 /nfs/dbraw/zinc/04/24/43/343042443.db2.gz YDSGOKHYXNCMSB-SECBINFHSA-N -1 0 237.255 1.525 50 0 BDAARM Clc1ncnc2nc(Br)[n-]c21 ZINC000021987224 343031895 /nfs/dbraw/zinc/03/18/95/343031895.db2.gz CNMGUMAFDFJHRV-UHFFFAOYSA-N -1 0 233.456 1.769 50 0 BDAARM C[C@@](O)(CSc1ccc(F)cc1)C(=O)[O-] ZINC000021991889 343032502 /nfs/dbraw/zinc/03/25/02/343032502.db2.gz CTYJERNWLVBMTF-SNVBAGLBSA-N -1 0 230.260 1.753 50 0 BDAARM O=C([O-])c1cncc(-c2ccccc2)n1 ZINC000026423811 343104927 /nfs/dbraw/zinc/10/49/27/343104927.db2.gz XFUQDWCBZGEUNR-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM Cc1c2ccccc2[nH]c(=O)c1C(=O)[O-] ZINC000026506349 343106019 /nfs/dbraw/zinc/10/60/19/343106019.db2.gz YRDMEJCIOSSLMD-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 BDAARM CCOc1ccc(F)cc1[C@@H]1OC(=O)[N-]C1=O ZINC000027876907 343125289 /nfs/dbraw/zinc/12/52/89/343125289.db2.gz WMYCHCQVNMDKRL-VIFPVBQESA-N -1 0 239.202 1.532 50 0 BDAARM COC(=O)N[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000030834336 343208626 /nfs/dbraw/zinc/20/86/26/343208626.db2.gz BAFWWCWWCIJIKN-JTQLQIEISA-N -1 0 237.255 1.428 50 0 biogenic,in-vitro BDAARM O=C([O-])[C@@H](O)Cc1cccc2ccccc21 ZINC000034027708 343263866 /nfs/dbraw/zinc/26/38/66/343263866.db2.gz OLGKAGFGKUUJIO-LBPRGKRZSA-N -1 0 216.236 1.828 50 0 BDAARM CCc1c([O-])[nH]c(=O)n1-c1ccccc1 ZINC000000078151 343268759 /nfs/dbraw/zinc/26/87/59/343268759.db2.gz ZZMDVDRXCDOBCA-VIFPVBQESA-N -1 0 204.229 1.521 50 0 BDAARM O=C([O-])c1ccc(O)cc1Br ZINC000034368568 343268781 /nfs/dbraw/zinc/26/87/81/343268781.db2.gz POGXJMWDTFROTM-UHFFFAOYSA-N -1 0 217.018 1.853 50 0 BDAARM O=c1[nH]c2snnc2c([O-])c1-c1ccccc1 ZINC000109861882 343276916 /nfs/dbraw/zinc/27/69/16/343276916.db2.gz KPILJRDZLPHUPV-ZETCQYMHSA-N -1 0 245.263 1.457 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@]23CCCC[C@H]2CC(=O)N13 ZINC000034781519 343278155 /nfs/dbraw/zinc/27/81/55/343278155.db2.gz XIUGRKJHDQXGDS-LAEOZQHASA-N -1 0 241.312 1.305 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccccc1 ZINC000036532836 343319821 /nfs/dbraw/zinc/31/98/21/343319821.db2.gz FUWHNFZMBCQYGY-NXEZZACHSA-N -1 0 219.240 1.024 50 0 BDAARM O=C([O-])c1nn(-c2ccccc2F)cc1O ZINC000036721588 343322860 /nfs/dbraw/zinc/32/28/60/343322860.db2.gz LMPBFXBZBGSBLT-UHFFFAOYSA-N -1 0 222.175 1.415 50 0 BDAARM O=C([O-])c1cccn1-c1ccc2c(c1)OCCO2 ZINC000035431392 343297081 /nfs/dbraw/zinc/29/70/81/343297081.db2.gz OWNBIJZGZBACAU-UHFFFAOYSA-N -1 0 245.234 1.947 50 0 BDAARM COc1cc(C(=O)[O-])c(F)c(OC)c1F ZINC000039953647 343394196 /nfs/dbraw/zinc/39/41/96/343394196.db2.gz LLRUPRYHYIFLJS-UHFFFAOYSA-N -1 0 218.155 1.680 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000040162937 343397490 /nfs/dbraw/zinc/39/74/90/343397490.db2.gz AIULLCUFHFFGCU-CMPLNLGQSA-N -1 0 246.266 1.218 50 0 BDAARM Cc1c(-c2n[n-]c(=O)o2)cnn1-c1ccccc1 ZINC000040448181 343403769 /nfs/dbraw/zinc/40/37/69/343403769.db2.gz UHLNWAHSCIGMDW-UHFFFAOYSA-N -1 0 242.238 1.524 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000040503318 343405870 /nfs/dbraw/zinc/40/58/70/343405870.db2.gz LCFAZZGZAOLUNV-YFKPBYRVSA-N -1 0 241.165 1.234 50 0 BDAARM C[C@@H](C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000040740243 343408742 /nfs/dbraw/zinc/40/87/42/343408742.db2.gz STBCWDXXDFGWBA-SSDOTTSWSA-N -1 0 228.269 1.278 50 0 BDAARM O=C([O-])c1cccc(CNc2ccncn2)c1 ZINC000040862697 343410637 /nfs/dbraw/zinc/41/06/37/343410637.db2.gz XXVFPCCFROXGCQ-UHFFFAOYSA-N -1 0 229.239 1.787 50 0 BDAARM Nc1cc(-n2cccn2)ccc1C(=O)[O-] ZINC000042684264 343447920 /nfs/dbraw/zinc/44/79/20/343447920.db2.gz MCADMJGMKMNLIE-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM CCc1[nH]nc(C(=O)[O-])c1Br ZINC000044242579 343496821 /nfs/dbraw/zinc/49/68/21/343496821.db2.gz PIUROJWXCZWEPW-UHFFFAOYSA-N -1 0 219.038 1.433 50 0 BDAARM O=Cc1cc(C(=O)[O-])ccc1OC(F)F ZINC000585138929 344150615 /nfs/dbraw/zinc/15/06/15/344150615.db2.gz LVYHMYHVBALDPY-UHFFFAOYSA-N -1 0 216.139 1.799 50 0 BDAARM O=S(=O)([N-]c1cccnc1)c1cccs1 ZINC000000249424 344660175 /nfs/dbraw/zinc/66/01/75/344660175.db2.gz DJOJRYLDSBEZMU-UHFFFAOYSA-N -1 0 240.309 1.944 50 0 BDAARM Cc1occc1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961823 537875032 /nfs/dbraw/zinc/87/50/32/537875032.db2.gz CMXSXPSQPVDFBT-IUCAKERBSA-N -1 0 237.255 1.571 50 0 BDAARM CCCCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000011889779 345053504 /nfs/dbraw/zinc/05/35/04/345053504.db2.gz KYADTFSCDZLZBP-SECBINFHSA-N -1 0 201.266 1.402 50 0 BDAARM O=C([O-])c1ccc(-c2c[nH]c(=O)cn2)cc1 ZINC000113926146 537887386 /nfs/dbraw/zinc/88/73/86/537887386.db2.gz UXXJARVLKXYKAW-UHFFFAOYSA-N -1 0 216.196 1.547 50 0 BDAARM COc1cc(F)cc(-n2ccc(C(=O)[O-])n2)c1 ZINC000304195192 537902330 /nfs/dbraw/zinc/90/23/30/537902330.db2.gz JPMUPWLEVIIHIP-UHFFFAOYSA-N -1 0 236.202 1.718 50 0 BDAARM COC(=O)c1ccc(Cl)cc1[S@](=O)[O-] ZINC000306296552 537913722 /nfs/dbraw/zinc/91/37/22/537913722.db2.gz DYZVNDDRPHUTKD-UHFFFAOYSA-N -1 0 234.660 1.707 50 0 BDAARM CC(C)(C)OC(=O)NCC1(CC(=O)[O-])COC1 ZINC000071766873 537948780 /nfs/dbraw/zinc/94/87/80/537948780.db2.gz HVEKIHJCDPRFCO-UHFFFAOYSA-N -1 0 245.275 1.002 50 0 BDAARM O=C([O-])c1cnn2ccc(C(F)(F)F)nc12 ZINC000167031379 346182950 /nfs/dbraw/zinc/18/29/50/346182950.db2.gz ZAWNCFKNHLILOS-UHFFFAOYSA-N -1 0 231.133 1.446 50 0 BDAARM O=C([O-])c1cccc(CSc2nc[nH]n2)c1 ZINC000005447817 346228817 /nfs/dbraw/zinc/22/88/17/346228817.db2.gz CHULQRAHEDIFFM-UHFFFAOYSA-N -1 0 235.268 1.795 50 0 BDAARM Cc1cccc(C(=O)N(C)CCC(=O)[O-])c1F ZINC000134067212 179004419 /nfs/dbraw/zinc/00/44/19/179004419.db2.gz FOOFOJHUJFULSA-UHFFFAOYSA-N -1 0 239.246 1.681 50 0 BDAARM Cc1cccc(CC(=O)NCCCC(=O)[O-])c1 ZINC000052127214 179052904 /nfs/dbraw/zinc/05/29/04/179052904.db2.gz UFAGRAFNWUULIT-UHFFFAOYSA-N -1 0 235.283 1.519 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccn1 ZINC000000544776 346417978 /nfs/dbraw/zinc/41/79/78/346417978.db2.gz WQFKTTDNNPCYLC-QMMMGPOBSA-N -1 0 222.244 1.521 50 0 BDAARM Cc1cccc(NC(=O)CCCCC(=O)[O-])n1 ZINC000004247213 179125952 /nfs/dbraw/zinc/12/59/52/179125952.db2.gz GQJVEHZNRJBBPA-UHFFFAOYSA-N -1 0 236.271 1.974 50 0 BDAARM Cc1cccc2c1C[C@@H](C(=O)[O-])OC2=O ZINC000012274240 179218485 /nfs/dbraw/zinc/21/84/85/179218485.db2.gz NRPNIJIOIDLUOY-VIFPVBQESA-N -1 0 206.197 1.161 50 0 BDAARM Cc1ccccc1C(=O)NCCC(=O)[O-] ZINC000004218413 179249287 /nfs/dbraw/zinc/24/92/87/179249287.db2.gz VIRTZKQVLFLGGK-UHFFFAOYSA-N -1 0 207.229 1.200 50 0 BDAARM Cc1ccccc1CC(=O)NCCCC(=O)[O-] ZINC000019392242 179258466 /nfs/dbraw/zinc/25/84/66/179258466.db2.gz WWNKTKXADIATOS-UHFFFAOYSA-N -1 0 235.283 1.519 50 0 BDAARM Cc1ccccc1CC(=O)NCCCCC(=O)[O-] ZINC000070198275 179259411 /nfs/dbraw/zinc/25/94/11/179259411.db2.gz XCWNIGCKLXXAHP-UHFFFAOYSA-N -1 0 249.310 1.909 50 0 BDAARM CC(=O)Oc1cc(OC(C)=O)cc(C(=O)[O-])c1 ZINC000001037117 187391667 /nfs/dbraw/zinc/39/16/67/187391667.db2.gz QBTDQJMLMVEUTQ-UHFFFAOYSA-N -1 0 238.195 1.235 50 0 BDAARM C[C@H]1CO[C@H](c2ccccc2)CN1CC(=O)[O-] ZINC000265289673 187397887 /nfs/dbraw/zinc/39/78/87/187397887.db2.gz ZDAVURGEUUEMDE-JQWIXIFHSA-N -1 0 235.283 1.533 50 0 BDAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)[O-] ZINC000005123928 187411934 /nfs/dbraw/zinc/41/19/34/187411934.db2.gz PYGHVJGHLGZANA-POHAHGRESA-N -1 0 223.203 1.387 50 0 biogenic,in-vitro BDAARM O=C([O-])CN1Cc2ccccc2OC1=O ZINC000003622205 187423664 /nfs/dbraw/zinc/42/36/64/187423664.db2.gz MRFMUNPHRJEAPP-UHFFFAOYSA-N -1 0 207.185 1.086 50 0 BDAARM Cc1csc(N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000022173971 179782647 /nfs/dbraw/zinc/78/26/47/179782647.db2.gz PPQOXDSSWJFEEK-MRVPVSSYSA-N -1 0 226.301 1.753 50 0 BDAARM COc1ccc(CC(=O)CC(=O)[O-])cc1 ZINC000149158357 349403966 /nfs/dbraw/zinc/40/39/66/349403966.db2.gz WAIHFFYNUFCGES-UHFFFAOYSA-N -1 0 208.213 1.282 50 0 BDAARM O=C([O-])c1ccc(Cn2ccnn2)cc1 ZINC000072226082 191004885 /nfs/dbraw/zinc/00/48/85/191004885.db2.gz FRDJARYUYLORJD-UHFFFAOYSA-N -1 0 203.201 1.025 50 0 BDAARM Cc1occc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000021953835 350059421 /nfs/dbraw/zinc/05/94/21/350059421.db2.gz TWCNEXOCYFSOPK-SECBINFHSA-N -1 0 225.244 1.427 50 0 BDAARM Cc1nc(NC(=O)/C=C\C(=O)[O-])sc1C ZINC000100633460 180004673 /nfs/dbraw/zinc/00/46/73/180004673.db2.gz NLPJFIDVGGRSEB-ARJAWSKDSA-N -1 0 226.257 1.339 50 0 BDAARM Cc1nc(NC(=O)/C=C/C(=O)[O-])sc1C ZINC000006254957 180005194 /nfs/dbraw/zinc/00/51/94/180005194.db2.gz NLPJFIDVGGRSEB-ONEGZZNKSA-N -1 0 226.257 1.339 50 0 BDAARM Cc1nn2c([n-]1)nc(C)c(CCC(C)C)c2=O ZINC000008994738 180059112 /nfs/dbraw/zinc/05/91/12/180059112.db2.gz ZAIVRCMUXWMMBY-UHFFFAOYSA-N -1 0 234.303 1.623 50 0 BDAARM Cc1nc2ccc(Cl)nn2c1C(=O)[O-] ZINC000020357954 180093473 /nfs/dbraw/zinc/09/34/73/180093473.db2.gz QPUBOGNHAFQPOP-UHFFFAOYSA-N -1 0 211.608 1.389 50 0 BDAARM CCC[C@H](C)C(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256332 538056918 /nfs/dbraw/zinc/05/69/18/538056918.db2.gz FHFJTKVVUWSDEX-LURJTMIESA-N -1 0 226.232 1.748 50 0 BDAARM Cc1nn2c([n-]1)nc(C)c(Br)c2=O ZINC000009604840 180113865 /nfs/dbraw/zinc/11/38/65/180113865.db2.gz CTVNNNXBDZYACR-UHFFFAOYSA-N -1 0 243.064 1.209 50 0 BDAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1C ZINC000009137670 180113917 /nfs/dbraw/zinc/11/39/17/180113917.db2.gz KKSPHDGFCSRWQU-UHFFFAOYSA-N -1 0 232.165 1.466 50 0 BDAARM CC(C)C[C@H](Nc1ncccn1)C(=O)[O-] ZINC000041090763 191064025 /nfs/dbraw/zinc/06/40/25/191064025.db2.gz PFKMPLMKXXHELD-QMMMGPOBSA-N -1 0 209.249 1.388 50 0 BDAARM Cc1ncnn1-c1ccc(C(=O)[O-])cc1 ZINC000082655913 180296466 /nfs/dbraw/zinc/29/64/66/180296466.db2.gz ATRRAGXPNKDBRA-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])[C@@H]1NC(=O)C[C@@H]1c1cccc(Cl)c1 ZINC000040449247 350365072 /nfs/dbraw/zinc/36/50/72/350365072.db2.gz IGCXWZBBWWUORU-PSASIEDQSA-N -1 0 239.658 1.397 50 0 BDAARM CN(CCC1(O)CCCC1)C(=O)CCC(=O)[O-] ZINC000426604503 191100781 /nfs/dbraw/zinc/10/07/81/191100781.db2.gz MUSTWEYTWXHXET-UHFFFAOYSA-N -1 0 243.303 1.005 50 0 BDAARM Cn1cnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000095347553 187454473 /nfs/dbraw/zinc/45/44/73/187454473.db2.gz HBJHBZNXCOTWIO-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM CC(=O)OC[C@H]1CC=C(C)C[C@H]1C(=O)[O-] ZINC000004760383 191120512 /nfs/dbraw/zinc/12/05/12/191120512.db2.gz VNASBZVBLIPEBK-NXEZZACHSA-N -1 0 212.245 1.607 50 0 BDAARM Cc1cc(C)cc(NC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000005957766 351341322 /nfs/dbraw/zinc/34/13/22/351341322.db2.gz ZPDDKMKFNJPPPS-SECBINFHSA-N -1 0 236.271 1.898 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000000105333 363046331 /nfs/dbraw/zinc/04/63/31/363046331.db2.gz JXGVXCZADZNAMJ-NSHDSACASA-N -1 0 249.266 1.872 50 0 biogenic,in-vitro BDAARM O=C([O-])[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000000130672 363048057 /nfs/dbraw/zinc/04/80/57/363048057.db2.gz JXGVXCZADZNAMJ-LLVKDONJSA-N -1 0 249.266 1.872 50 0 biogenic,in-vitro BDAARM O=C([O-])c1ccc(CN2CCCNC2=O)cc1 ZINC000043323329 352636463 /nfs/dbraw/zinc/63/64/63/352636463.db2.gz XTYMKCIPTCQNEU-UHFFFAOYSA-N -1 0 234.255 1.300 50 0 BDAARM Cn1nc(C(=O)Nc2ccccc2)cc1C(=O)[O-] ZINC000002767145 180802768 /nfs/dbraw/zinc/80/27/68/180802768.db2.gz SMVRQMFBUHCWFH-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM C[C@@H](NC(=O)CO[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000237582753 188086354 /nfs/dbraw/zinc/08/63/54/188086354.db2.gz VQEPAFVKPQSPLT-IVZWLZJFSA-N -1 0 243.303 1.171 50 0 BDAARM Cc1cnnn1-c1ccc(C(=O)[O-])cc1 ZINC000011888149 188105500 /nfs/dbraw/zinc/10/55/00/188105500.db2.gz MPRPKHXNQIVMHR-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1cc(C)c2ncc(C(=O)[O-])c(O)c2c1 ZINC000000121079 188098995 /nfs/dbraw/zinc/09/89/95/188098995.db2.gz IZUOQXWRSVPGRM-UHFFFAOYSA-N -1 0 217.224 1.843 50 0 BDAARM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000000401363 188099574 /nfs/dbraw/zinc/09/95/74/188099574.db2.gz FJGOZOLLBLTSIJ-LBPRGKRZSA-N -1 0 235.283 1.455 50 0 BDAARM [O-]C1=C[C@@](O)(C(F)(F)F)Oc2ccccc21 ZINC000004141864 188101736 /nfs/dbraw/zinc/10/17/36/188101736.db2.gz JXFPVSFDZGQZRR-VIFPVBQESA-N -1 0 232.157 1.903 50 0 BDAARM CC(=O)Nc1ccc(SCC(=O)[O-])cc1 ZINC000003887068 188101759 /nfs/dbraw/zinc/10/17/59/188101759.db2.gz CLURNAHOBWGZHV-UHFFFAOYSA-N -1 0 225.269 1.822 50 0 BDAARM C/C(=C\C(=O)NC1CCCCCC1)C(=O)[O-] ZINC000004652052 188102345 /nfs/dbraw/zinc/10/23/45/188102345.db2.gz OSUKJSXEZIFNHE-CMDGGOBGSA-N -1 0 225.288 1.856 50 0 BDAARM CCCCCCn1c(=O)cc([O-])[nH]c1=O ZINC000007260937 363206105 /nfs/dbraw/zinc/20/61/05/363206105.db2.gz AQXYVKZAUFRWSQ-UHFFFAOYSA-N -1 0 212.249 1.035 50 0 BDAARM CCOc1ccccc1NC(=O)CC(=O)[O-] ZINC000010300776 188104178 /nfs/dbraw/zinc/10/41/78/188104178.db2.gz LYFXACMWURMVPX-UHFFFAOYSA-N -1 0 223.228 1.499 50 0 BDAARM C/C(=C\C(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000012341249 188104732 /nfs/dbraw/zinc/10/47/32/188104732.db2.gz VBVBSQJDYKXGNH-CMDGGOBGSA-N -1 0 231.251 1.607 50 0 BDAARM O=C([O-])c1n[nH]c2[nH]c3ccccc3c12 ZINC000012360270 188104935 /nfs/dbraw/zinc/10/49/35/188104935.db2.gz FVHORVDHGWRHIC-UHFFFAOYSA-N -1 0 201.185 1.742 50 0 BDAARM CC(C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000012381952 188104970 /nfs/dbraw/zinc/10/49/70/188104970.db2.gz VCEDXDQOUHIACV-UHFFFAOYSA-N -1 0 237.255 1.745 50 0 BDAARM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)[O-] ZINC000011889904 188105022 /nfs/dbraw/zinc/10/50/22/188105022.db2.gz QCSHUNOZULVRRJ-ZDUSSCGKSA-N -1 0 249.310 1.845 50 0 BDAARM O=C([O-])C1CCC(NC(=O)C2CC2)CC1 ZINC000037472008 188113974 /nfs/dbraw/zinc/11/39/74/188113974.db2.gz XPLDBTPGLAZMTR-UHFFFAOYSA-N -1 0 211.261 1.156 50 0 BDAARM CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000082525518 188120206 /nfs/dbraw/zinc/12/02/06/188120206.db2.gz RSTRSGPYIINOTA-SNVBAGLBSA-N -1 0 225.219 1.396 50 0 BDAARM CC(C)=CC(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000085006356 188121449 /nfs/dbraw/zinc/12/14/49/188121449.db2.gz YSDWHLRLCJSTOX-RKDXNWHRSA-N -1 0 211.261 1.322 50 0 BDAARM COc1ncc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000044831834 188123916 /nfs/dbraw/zinc/12/39/16/188123916.db2.gz QGZIXDLZSGCXCA-UHFFFAOYSA-N -1 0 222.122 1.202 50 0 BDAARM Cc1cccc(/C=C/C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000054310494 188127382 /nfs/dbraw/zinc/12/73/82/188127382.db2.gz LVPLENDHAUESBF-XUIVZRPNSA-N -1 0 247.294 1.845 50 0 BDAARM CCCn1ccnc1C(F)(F)C(=O)[O-] ZINC000069031554 188129488 /nfs/dbraw/zinc/12/94/88/188129488.db2.gz LRTYWLSBLWXFOV-UHFFFAOYSA-N -1 0 204.176 1.470 50 0 BDAARM CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000071372442 188130385 /nfs/dbraw/zinc/13/03/85/188130385.db2.gz MONNSOYJCUCULT-JTQLQIEISA-N -1 0 243.209 1.617 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)[O-])C1 ZINC000079033336 188136093 /nfs/dbraw/zinc/13/60/93/188136093.db2.gz BUOPUFGUVSXFRG-NSHDSACASA-N -1 0 247.266 1.810 50 0 BDAARM Cc1ccccc1CC(=O)N(CC(=O)[O-])C1CC1 ZINC000037588490 188152358 /nfs/dbraw/zinc/15/23/58/188152358.db2.gz ABGNKQMWFUHRBE-UHFFFAOYSA-N -1 0 247.294 1.613 50 0 BDAARM CC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O ZINC000095630288 188147164 /nfs/dbraw/zinc/14/71/64/188147164.db2.gz ZOMSMJKLGFBRBS-UHFFFAOYSA-N -1 0 240.284 1.208 50 0 in-vitro BDAARM Cc1c(Br)cc(C(=O)[O-])c(=O)n1C ZINC000098095655 188148875 /nfs/dbraw/zinc/14/88/75/188148875.db2.gz IFPREJFNUSQNLP-UHFFFAOYSA-N -1 0 246.060 1.154 50 0 BDAARM O=C([O-])c1n[nH]c2cc(Br)cnc21 ZINC000206024878 188178270 /nfs/dbraw/zinc/17/82/70/188178270.db2.gz IZKLWDBZQAFKJY-UHFFFAOYSA-N -1 0 242.032 1.419 50 0 BDAARM Cn1c(SCC(=O)[O-])nnc1-c1ccco1 ZINC000004294291 353406309 /nfs/dbraw/zinc/40/63/09/353406309.db2.gz MEEKIIKJJLHMBC-UHFFFAOYSA-N -1 0 239.256 1.252 50 0 BDAARM CC(C)(C)OC(=O)c1cccnc1C(=O)[O-] ZINC000059916715 353518462 /nfs/dbraw/zinc/51/84/62/353518462.db2.gz CJNOKBVLGGIMFJ-UHFFFAOYSA-N -1 0 223.228 1.735 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnn[n-]1 ZINC000095139608 353530700 /nfs/dbraw/zinc/53/07/00/353530700.db2.gz KEKOWHLHSVLJLH-SSDOTTSWSA-N -1 0 239.279 1.272 50 0 BDAARM Cc1ccc(N(C=O)CC(=O)[O-])c(C)c1 ZINC000002519849 363340744 /nfs/dbraw/zinc/34/07/44/363340744.db2.gz GZWRGNITCZBZCF-UHFFFAOYSA-N -1 0 207.229 1.351 50 0 BDAARM Cc1n[nH]c(C)c1-c1ccc(-c2nn[nH]n2)cc1 ZINC000095193906 355758803 /nfs/dbraw/zinc/75/88/03/355758803.db2.gz PRDZAVHVGJEMJL-UHFFFAOYSA-N -1 0 240.270 1.874 50 0 BDAARM C[C@H]1c2cc([S@](=O)[O-])ccc2NC1=O ZINC000675062609 538489137 /nfs/dbraw/zinc/48/91/37/538489137.db2.gz YJRPKUQQLKFVAN-YFKPBYRVSA-N -1 0 211.242 1.323 50 0 BDAARM O=Cc1ccc(-c2cnc(C(=O)[O-])nc2)s1 ZINC000675068989 538497403 /nfs/dbraw/zinc/49/74/03/538497403.db2.gz AHUQFQOYEVCPAE-UHFFFAOYSA-N -1 0 234.236 1.716 50 0 BDAARM CN(C)c1ccccc1-c1cnc(C(=O)[O-])nc1 ZINC000675069868 538499036 /nfs/dbraw/zinc/49/90/36/538499036.db2.gz LJANWPYJMWLEJD-UHFFFAOYSA-N -1 0 243.266 1.908 50 0 BDAARM O=Cc1cccc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675070211 538500881 /nfs/dbraw/zinc/50/08/81/538500881.db2.gz ROQNUQAFGCJXIO-UHFFFAOYSA-N -1 0 228.207 1.654 50 0 BDAARM O=C([O-])COc1cccc2snnc21 ZINC000075253957 356916340 /nfs/dbraw/zinc/91/63/40/356916340.db2.gz SBBXCVWTRNBFIX-UHFFFAOYSA-N -1 0 210.214 1.155 50 0 BDAARM CCOC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000075260034 356921587 /nfs/dbraw/zinc/92/15/87/356921587.db2.gz NDTLMPASXQEYOF-UHFFFAOYSA-N -1 0 216.628 1.203 50 0 BDAARM Cc1cc(C)nc(O[N-]C(=O)OC(C)(C)C)n1 ZINC000075284413 356939362 /nfs/dbraw/zinc/93/93/62/356939362.db2.gz PXSKKMITXIJSDL-UHFFFAOYSA-N -1 0 239.275 1.912 50 0 BDAARM O=C([O-])c1cccc(C(=O)NCC2CCC2)c1 ZINC000035347303 357192500 /nfs/dbraw/zinc/19/25/00/357192500.db2.gz UANJIEUKAPPRMR-UHFFFAOYSA-N -1 0 233.267 1.915 50 0 BDAARM CC(C)(C)[C@@H](NC(=O)C1CCOCC1)C(=O)[O-] ZINC000035390115 357218128 /nfs/dbraw/zinc/21/81/28/357218128.db2.gz XLCSUFZYBLABPT-VIFPVBQESA-N -1 0 243.303 1.029 50 0 BDAARM CC(C)OCC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000157996595 538845741 /nfs/dbraw/zinc/84/57/41/538845741.db2.gz RHHSKJHZQVMKAT-JTQLQIEISA-N -1 0 243.303 1.267 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)c2ccccc2C1 ZINC000000401222 358752740 /nfs/dbraw/zinc/75/27/40/358752740.db2.gz XUNZMNVTEDNDCE-VIFPVBQESA-N -1 0 204.225 1.906 50 0 BDAARM CC[C@@H](C(=O)[O-])N1C(=O)COc2ccccc21 ZINC000005185086 535437184 /nfs/dbraw/zinc/43/71/84/535437184.db2.gz NKHFPPQOFJMSST-QMMMGPOBSA-N -1 0 235.239 1.275 50 0 BDAARM Cc1n[n-]c(=NC[C@H]2CCO[C@H](C(C)C)C2)o1 ZINC000578834901 366655889 /nfs/dbraw/zinc/65/58/89/366655889.db2.gz HWSZOQUTFWMFJV-QWRGUYRKSA-N -1 0 239.319 1.663 50 0 BDAARM CCC1(C(=O)N2CCC(C(=O)[O-])CC2)CCC1 ZINC000095969437 360342502 /nfs/dbraw/zinc/34/25/02/360342502.db2.gz STAFNUJKOHWHFT-UHFFFAOYSA-N -1 0 239.315 1.890 50 0 BDAARM COCc1ccc(NC(=O)/C(C)=C\C(=O)[O-])cc1 ZINC000004745127 360475354 /nfs/dbraw/zinc/47/53/54/360475354.db2.gz XOUUHBUTSPLKIH-CLFYSBASSA-N -1 0 249.266 1.802 50 0 BDAARM CCCCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000036924589 361579414 /nfs/dbraw/zinc/57/94/14/361579414.db2.gz HPHUHSPLHSCYJB-UHFFFAOYSA-N -1 0 213.277 1.690 50 0 BDAARM Cc1nnc(N(C)C[C@@H](C)C(=O)[O-])s1 ZINC000083583296 491162196 /nfs/dbraw/zinc/16/21/96/491162196.db2.gz KSYVRZUNVFPXIZ-RXMQYKEDSA-N -1 0 215.278 1.003 50 0 BDAARM C/C(=C/C(=O)N1CCCC[C@H]1C(=O)[O-])C1CC1 ZINC000252585890 363899342 /nfs/dbraw/zinc/89/93/42/363899342.db2.gz LXLVBEBWXLVIPS-IQQGHNRFSA-N -1 0 237.299 1.808 50 0 BDAARM Cc1c2ccccc2oc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000037410154 364015455 /nfs/dbraw/zinc/01/54/55/364015455.db2.gz WHRPDGVLIWQSPC-QMMMGPOBSA-N -1 0 247.250 1.944 50 0 BDAARM C[C@H](CNC(=O)c1ocnc1C1CC1)C(=O)[O-] ZINC000630136303 363969954 /nfs/dbraw/zinc/96/99/54/363969954.db2.gz AKNSXHGCMXXEOH-ZCFIWIBFSA-N -1 0 238.243 1.003 50 0 BDAARM Cn1cncc1-c1noc(C2CC2)c1C(=O)[O-] ZINC000675057353 541462786 /nfs/dbraw/zinc/46/27/86/541462786.db2.gz CDYPGLGWTFAZPH-UHFFFAOYSA-N -1 0 233.227 1.651 50 0 BDAARM COc1ccc2c(c1)oc(=O)n2CCC(=O)[O-] ZINC000019892390 368370999 /nfs/dbraw/zinc/37/09/99/368370999.db2.gz FHXQJQTWDDHKKI-UHFFFAOYSA-N -1 0 237.211 1.078 50 0 BDAARM Cc1ccc(F)c(-n2cc(C(=O)[O-])nn2)c1 ZINC000020471976 371285626 /nfs/dbraw/zinc/28/56/26/371285626.db2.gz RENZUZKFIJGFEC-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000002637900 371615466 /nfs/dbraw/zinc/61/54/66/371615466.db2.gz GRPRVMJSYQQXIJ-UHFFFAOYSA-N -1 0 243.284 1.455 50 0 BDAARM COc1ccc(COc2cc(C(=O)[O-])on2)cc1 ZINC000218625372 372135851 /nfs/dbraw/zinc/13/58/51/372135851.db2.gz UIMYDHSKYAJZRW-UHFFFAOYSA-N -1 0 249.222 1.960 50 0 BDAARM O=C([O-])C1(NC(=O)c2ccncc2)CCCCC1 ZINC000019505119 182089047 /nfs/dbraw/zinc/08/90/47/182089047.db2.gz LNHZUGMSIKPKII-UHFFFAOYSA-N -1 0 248.282 1.599 50 0 BDAARM COCc1nc2cc(C(=O)[O-])ccc2n1C ZINC000040417013 373251869 /nfs/dbraw/zinc/25/18/69/373251869.db2.gz CCAOKPGGGDYOHO-UHFFFAOYSA-N -1 0 220.228 1.418 50 0 BDAARM O=C(NCc1n[n-]c(=S)o1)c1cccs1 ZINC000011919858 182275465 /nfs/dbraw/zinc/27/54/65/182275465.db2.gz RETIFUXKHGVMFR-UHFFFAOYSA-N -1 0 241.297 1.350 50 0 BDAARM O=C(Nc1ccc(Cl)c(F)c1)c1cn[nH]n1 ZINC000048937176 182352338 /nfs/dbraw/zinc/35/23/38/182352338.db2.gz CUBDIVXRUYYUQC-UHFFFAOYSA-N -1 0 240.625 1.850 50 0 BDAARM O=C(Nc1ccccc1)S(=O)(=O)[O-] ZINC000002165033 182377422 /nfs/dbraw/zinc/37/74/22/182377422.db2.gz VJWBPBKZXZSWKD-UHFFFAOYSA-N -1 0 201.203 1.106 50 0 BDAARM O=C([O-])CCCNC(=O)COc1ccccc1 ZINC000002967846 182439620 /nfs/dbraw/zinc/43/96/20/182439620.db2.gz IKHSNXWZOWZOBC-UHFFFAOYSA-N -1 0 237.255 1.046 50 0 BDAARM O=C([O-])CCc1nc(-c2cccc(F)c2)no1 ZINC000033268233 182455547 /nfs/dbraw/zinc/45/55/47/182455547.db2.gz CMJSVRXTMIPHNM-UHFFFAOYSA-N -1 0 236.202 1.893 50 0 BDAARM O=C([O-])CNC(=O)c1cccc(Cl)c1 ZINC000000039798 182465607 /nfs/dbraw/zinc/46/56/07/182465607.db2.gz ICYUIIJXZHPESK-UHFFFAOYSA-N -1 0 213.620 1.154 50 0 endogenous,in-man BDAARM O=C([O-])C[C@@H]1C(=O)Nc2nc3ccccc3n21 ZINC000008701460 182478188 /nfs/dbraw/zinc/47/81/88/182478188.db2.gz DZTIUSDFLLKCCE-MRVPVSSYSA-N -1 0 231.211 1.004 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000021952454 182507359 /nfs/dbraw/zinc/50/73/59/182507359.db2.gz RONDSKCEXBOFNY-ZCFIWIBFSA-N -1 0 241.193 1.402 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000019506057 182508541 /nfs/dbraw/zinc/50/85/41/182508541.db2.gz MUWBJXZEXGIYJD-QWRGUYRKSA-N -1 0 237.299 1.808 50 0 BDAARM O=C([O-])[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000038008207 182512458 /nfs/dbraw/zinc/51/24/58/182512458.db2.gz XZDROSVGWGPGLE-VIFPVBQESA-N -1 0 232.239 1.881 50 0 BDAARM O=C([O-])[C@@H]1CS[C@]23CCCC[C@H]2CC(=O)N13 ZINC000034781517 182520059 /nfs/dbraw/zinc/52/00/59/182520059.db2.gz XIUGRKJHDQXGDS-DKCNOQQISA-N -1 0 241.312 1.305 50 0 BDAARM O=C([O-])[C@H]1CC[C@@](O)(c2ccccc2)C1 ZINC000217901108 182540751 /nfs/dbraw/zinc/54/07/51/182540751.db2.gz XYSFWCWXJQTOPP-CABZTGNLSA-N -1 0 206.241 1.759 50 0 BDAARM O=C([O-])c1cc(Br)ccn1 ZINC000000151256 182553904 /nfs/dbraw/zinc/55/39/04/182553904.db2.gz RPHHYRNGCJYQSP-UHFFFAOYSA-N -1 0 202.007 1.542 50 0 in-vitro BDAARM O=C([O-])c1ccc(CNC(=O)C2CC=CC2)o1 ZINC000094554556 182566306 /nfs/dbraw/zinc/56/63/06/182566306.db2.gz NSXBGNUHICZQRP-UHFFFAOYSA-N -1 0 235.239 1.560 50 0 BDAARM O=C([O-])c1cccc(CNC(=O)c2ccco2)c1 ZINC000037716386 182575937 /nfs/dbraw/zinc/57/59/37/182575937.db2.gz UWTZQHGBONSNQM-UHFFFAOYSA-N -1 0 245.234 1.908 50 0 BDAARM O=C([O-])c1cc2cc(Cl)ccc2[nH]c1=O ZINC000002512973 182560199 /nfs/dbraw/zinc/56/01/99/182560199.db2.gz XCWIXLMCHFBXLT-UHFFFAOYSA-N -1 0 223.615 1.880 50 0 BDAARM O=C([O-])c1ccn(COCC(F)(F)F)n1 ZINC000012396732 182584910 /nfs/dbraw/zinc/58/49/10/182584910.db2.gz WLZRRVFBRBZUFK-UHFFFAOYSA-N -1 0 224.138 1.118 50 0 BDAARM O=C([O-])c1ccn(COc2ccccc2F)n1 ZINC000002526615 182585352 /nfs/dbraw/zinc/58/53/52/182585352.db2.gz PYWLTSTXDMESGO-UHFFFAOYSA-N -1 0 236.202 1.757 50 0 BDAARM O=C([O-])c1cn(Cc2cccc(F)c2)nn1 ZINC000050213496 182587551 /nfs/dbraw/zinc/58/75/51/182587551.db2.gz LSDGCYGSFJXEKI-UHFFFAOYSA-N -1 0 221.191 1.164 50 0 BDAARM O=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000000192149 182588005 /nfs/dbraw/zinc/58/80/05/182588005.db2.gz BOAIYSRFGWBZCF-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM O=C([O-])c1nn(CCF)cc1Br ZINC000095098590 182597160 /nfs/dbraw/zinc/59/71/60/182597160.db2.gz AUISQCCJZMYNLN-UHFFFAOYSA-N -1 0 237.028 1.313 50 0 BDAARM O=C([O-])c1cc(C(=O)c2ccccc2)c[nH]1 ZINC000002585581 182678153 /nfs/dbraw/zinc/67/81/53/182678153.db2.gz ZAOGOXQEINPQGB-UHFFFAOYSA-N -1 0 215.208 1.944 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)[C@@H]1c1ccccc1 ZINC000071773805 182747556 /nfs/dbraw/zinc/74/75/56/182747556.db2.gz XMXFTFOHICRWNP-MWLCHTKSSA-N -1 0 204.225 1.834 50 0 BDAARM O=c1[n-]cnn1-c1cccc(Br)c1 ZINC000026423762 182979668 /nfs/dbraw/zinc/97/96/68/182979668.db2.gz UCGGXHGJXGAQOU-UHFFFAOYSA-N -1 0 240.060 1.323 50 0 BDAARM CCCNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000020256565 169239844 /nfs/dbraw/zinc/23/98/44/169239844.db2.gz OEHONRFHRZZZLP-UHFFFAOYSA-N -1 0 236.271 1.845 50 0 BDAARM CC(C)(C)OC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000020285663 166644891 /nfs/dbraw/zinc/64/48/91/166644891.db2.gz ZCFGFDBKCBPYHR-UHFFFAOYSA-N -1 0 227.260 1.471 50 0 BDAARM CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1C(=O)[O-] ZINC000002383863 166645796 /nfs/dbraw/zinc/64/57/96/166645796.db2.gz GPBCBXYUAJQMQM-MRVPVSSYSA-N -1 0 243.259 1.040 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000000056436 166648606 /nfs/dbraw/zinc/64/86/06/166648606.db2.gz ZQEBQGAAWMOMAI-ZETCQYMHSA-N -1 0 215.249 1.471 50 0 biogenic BDAARM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)[O-] ZINC000000057230 383820783 /nfs/dbraw/zinc/82/07/83/383820783.db2.gz FJWNZTPXVSWUKF-LURJTMIESA-N -1 0 233.289 1.381 50 0 BDAARM O=C([O-])CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000000110680 383827916 /nfs/dbraw/zinc/82/79/16/383827916.db2.gz ZEYRBFCQZXZIQU-UHFFFAOYSA-N -1 0 248.687 1.588 50 0 BDAARM Cc1nc(-c2cnccn2)sc1C(=O)[O-] ZINC000000158928 383836586 /nfs/dbraw/zinc/83/65/86/383836586.db2.gz XDZXQDHRHGIPRN-UHFFFAOYSA-N -1 0 221.241 1.607 50 0 BDAARM O=C([O-])Cc1nc2cc(Cl)ccc2[nH]1 ZINC000000206156 383845788 /nfs/dbraw/zinc/84/57/88/383845788.db2.gz DHHUPGJLPIWIGU-UHFFFAOYSA-N -1 0 210.620 1.843 50 0 BDAARM O=C([O-])CCCC(=O)n1cnc2ccccc21 ZINC000000319663 383853563 /nfs/dbraw/zinc/85/35/63/383853563.db2.gz VOYKMDQXONQYLM-UHFFFAOYSA-N -1 0 232.239 1.931 50 0 BDAARM O=C([O-])CNC(=O)SCc1ccccc1 ZINC000000335840 383856400 /nfs/dbraw/zinc/85/64/00/383856400.db2.gz ANDUHGSMLJPLHQ-UHFFFAOYSA-N -1 0 225.269 1.714 50 0 BDAARM O=C([O-])Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000344371 383857124 /nfs/dbraw/zinc/85/71/24/383857124.db2.gz PXOSUSANPOVCLP-UHFFFAOYSA-N -1 0 247.172 1.815 50 0 BDAARM Cc1ccc(CNC(=O)/C=C\C(=O)[O-])cc1 ZINC000101130393 383859674 /nfs/dbraw/zinc/85/96/74/383859674.db2.gz NEUHICJDMZVKSH-SREVYHEPSA-N -1 0 219.240 1.252 50 0 BDAARM O=C([O-])Cc1nnc(-c2ccccc2)o1 ZINC000000396004 383864711 /nfs/dbraw/zinc/86/47/11/383864711.db2.gz YGRNVAALOPXOMQ-UHFFFAOYSA-N -1 0 204.185 1.364 50 0 BDAARM O=C([O-])CCc1nc(-c2cccs2)no1 ZINC000000147413 383833140 /nfs/dbraw/zinc/83/31/40/383833140.db2.gz KXJGVLSBXNIPCO-UHFFFAOYSA-N -1 0 224.241 1.815 50 0 BDAARM CS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000000154105 383835504 /nfs/dbraw/zinc/83/55/04/383835504.db2.gz VACSKKVZIVNUDP-UHFFFAOYSA-N -1 0 234.660 1.442 50 0 BDAARM O=C([O-])CCCc1nc2ccccc2c(=O)[nH]1 ZINC000001654191 383917662 /nfs/dbraw/zinc/91/76/62/383917662.db2.gz IWUFDMAFCDCNMQ-UHFFFAOYSA-N -1 0 232.239 1.330 50 0 biogenic BDAARM O=C([O-])[C@@H]1CCn2c(cnc2C(F)(F)F)C1 ZINC000088613685 383918845 /nfs/dbraw/zinc/91/88/45/383918845.db2.gz AOFKCEUPTSWVON-RXMQYKEDSA-N -1 0 234.177 1.549 50 0 BDAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=NC(=O)N2)cc1 ZINC000002580680 383978814 /nfs/dbraw/zinc/97/88/14/383978814.db2.gz KQYYDIRBSOVKSK-VIFPVBQESA-N -1 0 232.239 1.317 50 0 BDAARM O=Cc1c([O-])c2cc(Cl)ccc2oc1=O ZINC000002583692 383980618 /nfs/dbraw/zinc/98/06/18/383980618.db2.gz SEPLQNFQGGDKHK-UHFFFAOYSA-N -1 0 224.599 1.965 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3n[nH]cc3c2)C1 ZINC000067675551 383936716 /nfs/dbraw/zinc/93/67/16/383936716.db2.gz JOHFEJQWXAGOML-QMMMGPOBSA-N -1 0 245.238 1.000 50 0 BDAARM COc1nccnc1-c1cccc(C(=O)[O-])c1 ZINC000067920100 383960554 /nfs/dbraw/zinc/96/05/54/383960554.db2.gz XVKMMHZUHYBIKK-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM O=C([O-])CNC(=O)c1cccc2ccccc21 ZINC000002454766 383964377 /nfs/dbraw/zinc/96/43/77/383964377.db2.gz YQHPVWRRSORYIV-UHFFFAOYSA-N -1 0 229.235 1.654 50 0 BDAARM O=C([O-])CCc1ccc2c(n1)NCCC2 ZINC000002527507 383971990 /nfs/dbraw/zinc/97/19/90/383971990.db2.gz RFHWDIVYIDWUDL-UHFFFAOYSA-N -1 0 206.245 1.457 50 0 BDAARM Cc1cc(C(F)F)nn1[C@H](C)C(=O)[O-] ZINC000002549558 383974430 /nfs/dbraw/zinc/97/44/30/383974430.db2.gz OFPDXUOHYXDFMV-RXMQYKEDSA-N -1 0 204.176 1.775 50 0 BDAARM O=C([O-])CCC[C@H]1C(=O)Nc2ccccc21 ZINC000003884045 384032045 /nfs/dbraw/zinc/03/20/45/384032045.db2.gz CDVWMZQPMYOBJM-SECBINFHSA-N -1 0 219.240 1.977 50 0 biogenic BDAARM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000003865910 384032258 /nfs/dbraw/zinc/03/22/58/384032258.db2.gz SSHYAHPMLSAGGG-ZCFIWIBFSA-N -1 0 227.647 1.543 50 0 BDAARM O=C([O-])CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000003887894 384033935 /nfs/dbraw/zinc/03/39/35/384033935.db2.gz VECNTNSSHKQXBN-UHFFFAOYSA-N -1 0 246.266 1.488 50 0 BDAARM C[C@]1(C(=O)[O-])Cc2ccccc2C(=O)O1 ZINC000003888067 384033953 /nfs/dbraw/zinc/03/39/53/384033953.db2.gz XHMJBIRHDOBCBN-LLVKDONJSA-N -1 0 206.197 1.243 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)[O-] ZINC000006882677 384171861 /nfs/dbraw/zinc/17/18/61/384171861.db2.gz YGWZXQOYEBWUTH-NKWVEPMBSA-N -1 0 233.239 1.419 50 0 BDAARM O=C([O-])C1(c2ccc(F)cc2)CCOCC1 ZINC000006677808 384162358 /nfs/dbraw/zinc/16/23/58/384162358.db2.gz CYDQOEWLBCCFJZ-UHFFFAOYSA-N -1 0 224.231 1.959 50 0 BDAARM COc1cccc2c(OC)cc(C(=O)[O-])nc12 ZINC000071775236 384177872 /nfs/dbraw/zinc/17/78/72/384177872.db2.gz YPFZNQWLNDDXEJ-UHFFFAOYSA-N -1 0 233.223 1.950 50 0 BDAARM O=C([O-])CSc1nc2cc(F)ccc2[nH]1 ZINC000009927091 384265021 /nfs/dbraw/zinc/26/50/21/384265021.db2.gz SUBRQUMRYKKVPF-UHFFFAOYSA-N -1 0 226.232 1.879 50 0 BDAARM O=Cc1cccn1[C@H](C(=O)[O-])c1ccccc1 ZINC000012404613 384318418 /nfs/dbraw/zinc/31/84/18/384318418.db2.gz ZQFOLJRJRIULOB-LBPRGKRZSA-N -1 0 229.235 1.975 50 0 BDAARM Nc1c(Cl)nc(Cl)cc1C(=O)[O-] ZINC000095093353 384364005 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XJLKUYYTUMWVRT-UHFFFAOYSA-N -1 0 206.274 1.800 50 0 BDAARM CC(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000003597303 166730268 /nfs/dbraw/zinc/73/02/68/166730268.db2.gz OMWFUEUNNVEJQA-UHFFFAOYSA-N -1 0 207.229 1.979 50 0 BDAARM CC(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000129835 167084390 /nfs/dbraw/zinc/08/43/90/167084390.db2.gz LKHIMICNMRXHFN-DTWKUNHWSA-N -1 0 213.277 1.402 50 0 BDAARM CC(C)OCCCNC(=O)CCCC(=O)[O-] ZINC000009762584 167219157 /nfs/dbraw/zinc/21/91/57/167219157.db2.gz NASRJQKRHFMTLE-UHFFFAOYSA-N -1 0 231.292 1.173 50 0 BDAARM CC/C=C(/C)C(=O)N(CC(=O)[O-])CC(C)C ZINC000059882488 167828201 /nfs/dbraw/zinc/82/82/01/167828201.db2.gz WRGYQMHQIBJKNZ-POHAHGRESA-N -1 0 227.304 1.912 50 0 BDAARM CC1(CCCC(F)(F)S(=O)[O-])OCCO1 ZINC000098042890 168017485 /nfs/dbraw/zinc/01/74/85/168017485.db2.gz VAMAXKMJDCYYTB-UHFFFAOYSA-N -1 0 244.259 1.734 50 0 BDAARM CC1=C(C(=O)[O-])C2(CCCCC2)OC1=O ZINC000005185161 168079739 /nfs/dbraw/zinc/07/97/39/168079739.db2.gz RLAVEODUCXLMQJ-UHFFFAOYSA-N -1 0 210.229 1.647 50 0 BDAARM CCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000020230787 168212008 /nfs/dbraw/zinc/21/20/08/168212008.db2.gz OACAMAAPZSEVIZ-UHFFFAOYSA-N -1 0 207.229 1.514 50 0 BDAARM CCC(=O)c1ccccc1OCC(=O)[O-] ZINC000000392596 168259776 /nfs/dbraw/zinc/25/97/76/168259776.db2.gz JFHXZDNSABDMHT-UHFFFAOYSA-N -1 0 208.213 1.743 50 0 BDAARM CCOC(=O)N=c1s[nH]c(C)c1C(=O)[O-] ZINC000026475938 170244878 /nfs/dbraw/zinc/24/48/78/170244878.db2.gz GIEXPQJVVHEJFF-UHFFFAOYSA-N -1 0 230.245 1.718 50 0 BDAARM CCOC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000003080832 170285590 /nfs/dbraw/zinc/28/55/90/170285590.db2.gz DIKKCRMDEAACQI-ZWNOBZJWSA-N -1 0 234.251 1.808 50 0 BDAARM CCOC(=O)c1[nH]c(C)c(C(=O)[O-])c1CC ZINC000000393121 170286650 /nfs/dbraw/zinc/28/66/50/170286650.db2.gz RJOISZOCWOBAAL-UHFFFAOYSA-N -1 0 225.244 1.760 50 0 BDAARM CCOCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044749920 170348128 /nfs/dbraw/zinc/34/81/28/170348128.db2.gz LSBLQPMASHRJTB-UHFFFAOYSA-N -1 0 237.255 1.668 50 0 BDAARM CC[C@@H]1Nc2ccc(C(=O)[O-])cc2NC1=O ZINC000035411551 171150818 /nfs/dbraw/zinc/15/08/18/171150818.db2.gz RSQRDVPENVGBIX-ZETCQYMHSA-N -1 0 220.228 1.527 50 0 BDAARM CC[C@@]1(c2ccccc2)C(=O)[N-]C(=O)N(C)C1=O ZINC000095660919 171216553 /nfs/dbraw/zinc/21/65/53/171216553.db2.gz ALARQZQTBTVLJV-CYBMUJFWSA-N -1 0 246.266 1.043 50 0 world BDAARM CC[C@H](C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000096480190 171253790 /nfs/dbraw/zinc/25/37/90/171253790.db2.gz QXZUARYVSUERGZ-KWQFWETISA-N -1 0 215.293 1.792 50 0 BDAARM CCc1ccc(C(C)(C)CNC(=O)C(=O)[O-])cc1 ZINC000097142245 171789396 /nfs/dbraw/zinc/78/93/96/171789396.db2.gz KXLZTTWEISUMPV-UHFFFAOYSA-N -1 0 249.310 1.727 50 0 BDAARM CCc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000008739923 171822540 /nfs/dbraw/zinc/82/25/40/171822540.db2.gz DLWDMSDZXWVPRJ-UHFFFAOYSA-N -1 0 230.271 1.779 50 0 BDAARM CCc1nnc(NC(=O)CCCC(=O)[O-])s1 ZINC000000569918 172058110 /nfs/dbraw/zinc/05/81/10/172058110.db2.gz ZEEIHJGGEZOCSH-UHFFFAOYSA-N -1 0 243.288 1.294 50 0 BDAARM CCC1N=NC(=S)N1c1ccc(C(=O)[O-])cc1 ZINC000006395519 172062901 /nfs/dbraw/zinc/06/29/01/172062901.db2.gz ZHJYREFULMVPAX-UHFFFAOYSA-N -1 0 249.295 1.817 50 0 BDAARM CCn1c2cc(C)c(C)cc2nc(C(=O)[O-])c1=O ZINC000045796223 172132406 /nfs/dbraw/zinc/13/24/06/172132406.db2.gz DAAQJHZPQNEVAM-UHFFFAOYSA-N -1 0 246.266 1.731 50 0 BDAARM CCn1cc(C([O-])=CC(=O)C(F)(F)F)cn1 ZINC000100497226 172150944 /nfs/dbraw/zinc/15/09/44/172150944.db2.gz NQTDLJFJINBGQG-UHFFFAOYSA-N -1 0 234.177 1.607 50 0 BDAARM CCn1nc(C)c(NC(=O)CCC(=O)[O-])c1C ZINC000035670941 172246794 /nfs/dbraw/zinc/24/67/94/172246794.db2.gz IVEDIPCYQSTRRL-UHFFFAOYSA-N -1 0 239.275 1.323 50 0 BDAARM CCn1nc(C)c2c1nc(C)cc2C(=O)[O-] ZINC000002732934 172249299 /nfs/dbraw/zinc/24/92/99/172249299.db2.gz GUOZZOGMGQZTPA-UHFFFAOYSA-N -1 0 219.244 1.766 50 0 BDAARM CN(C)C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000022167469 172374363 /nfs/dbraw/zinc/37/43/63/172374363.db2.gz KLQMFXMIKOJCHX-UHFFFAOYSA-N -1 0 239.296 1.565 50 0 BDAARM CN(C)C(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000011919767 172384789 /nfs/dbraw/zinc/38/47/89/172384789.db2.gz RCADQIRMKGJSHI-UFBFGSQYSA-N -1 0 227.304 1.602 50 0 BDAARM CNC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000000378220 173317234 /nfs/dbraw/zinc/31/72/34/173317234.db2.gz CKBJZCSRMLXJKT-UHFFFAOYSA-N -1 0 210.258 1.301 50 0 BDAARM COCC(=O)c1c([O-])c2ccccc2oc1=O ZINC000008205889 174062679 /nfs/dbraw/zinc/06/26/79/174062679.db2.gz PZFDGXJBWMIGTG-UHFFFAOYSA-N -1 0 234.207 1.328 50 0 BDAARM COCCOc1nc(C)c(C(=O)[O-])s1 ZINC000072323964 174370616 /nfs/dbraw/zinc/37/06/16/174370616.db2.gz KRYDWKOXQCAKOY-UHFFFAOYSA-N -1 0 217.246 1.175 50 0 BDAARM CO[N-]C(=O)Cn1c(C)cc2ccccc21 ZINC000025824933 174663920 /nfs/dbraw/zinc/66/39/20/174663920.db2.gz MDQFZFKEORMMSB-UHFFFAOYSA-N -1 0 218.256 1.627 50 0 BDAARM COc1cc(/C=C/C(=O)[O-])cc(OC)c1OC ZINC000000152561 174939845 /nfs/dbraw/zinc/93/98/45/174939845.db2.gz YTFVRYKNXDADBI-SNAWJCMRSA-N -1 0 238.239 1.810 50 0 endogenous,in-man BDAARM COc1cc(C=O)c(C(=O)[O-])cc1OC ZINC000004299108 174975863 /nfs/dbraw/zinc/97/58/63/174975863.db2.gz CXANNUKKXKKTKG-UHFFFAOYSA-N -1 0 210.185 1.215 50 0 BDAARM COc1cc2[n-]c(=S)[nH]c(=O)c2cc1OC ZINC000012243755 175018906 /nfs/dbraw/zinc/01/89/06/175018906.db2.gz AEUUSCYHFMYASX-UHFFFAOYSA-N -1 0 238.268 1.603 50 0 BDAARM COc1ccc(-c2cc(C(=O)[O-])ncn2)cc1 ZINC000008699970 175030678 /nfs/dbraw/zinc/03/06/78/175030678.db2.gz VWDUAMCLXCMAEK-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM COc1ccc(-c2cc(=O)n(CCO)[n-]2)cc1 ZINC000012346493 175032229 /nfs/dbraw/zinc/03/22/29/175032229.db2.gz AEIXTDXATRYPEZ-UHFFFAOYSA-N -1 0 234.255 1.257 50 0 BDAARM COc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000037588391 175055150 /nfs/dbraw/zinc/05/51/50/175055150.db2.gz OZPKNWHXSZZRFV-UHFFFAOYSA-N -1 0 249.266 1.384 50 0 BDAARM COc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000002026807 175059592 /nfs/dbraw/zinc/05/95/92/175059592.db2.gz DZTVZKSCFQIBMV-UHFFFAOYSA-N -1 0 237.255 1.290 50 0 BDAARM COc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000002571296 175114389 /nfs/dbraw/zinc/11/43/89/175114389.db2.gz XUAVFSMXCWTYNM-UHFFFAOYSA-N -1 0 202.146 1.373 50 0 BDAARM COc1ccc(F)c(C(=O)[O-])c1OC ZINC000032234735 175124009 /nfs/dbraw/zinc/12/40/09/175124009.db2.gz OXYSHPNWRGUQPS-UHFFFAOYSA-N -1 0 200.165 1.541 50 0 BDAARM COc1ccc(OC)c(CCC(=O)[O-])c1 ZINC000000094295 175165289 /nfs/dbraw/zinc/16/52/89/175165289.db2.gz JENQUCZZZGYHRW-UHFFFAOYSA-N -1 0 210.229 1.721 50 0 biogenic BDAARM COc1ccc([C@H](CC(=O)[O-])NC(C)=O)cc1 ZINC000000390896 175190569 /nfs/dbraw/zinc/19/05/69/175190569.db2.gz PJJWOHFAWCCPGM-NSHDSACASA-N -1 0 237.255 1.347 50 0 BDAARM COc1ccc2c(c1)[nH]c(=O)cc2C(=O)[O-] ZINC000000802009 175203478 /nfs/dbraw/zinc/20/34/78/175203478.db2.gz FNDGQJCUHITQOE-UHFFFAOYSA-N -1 0 219.196 1.235 50 0 BDAARM COc1ccc2c(c1)N(C)[C@H](C(=O)[O-])C2 ZINC000064037972 175211727 /nfs/dbraw/zinc/21/17/27/175211727.db2.gz DKAWNVQXVWYVSR-JTQLQIEISA-N -1 0 207.229 1.141 50 0 BDAARM COc1ccc2c(c1)c(=O)ccn2CCC(=O)[O-] ZINC000062718805 175217937 /nfs/dbraw/zinc/21/79/37/175217937.db2.gz OAEZUKFVHKCIMC-UHFFFAOYSA-N -1 0 247.250 1.485 50 0 biogenic BDAARM COc1cccc(-c2cc(C(=O)[O-])n(C)n2)c1 ZINC000000324164 175233013 /nfs/dbraw/zinc/23/30/13/175233013.db2.gz LGZBFNBUPOZSQN-UHFFFAOYSA-N -1 0 232.239 1.794 50 0 BDAARM COc1cccc(N2CC[C@H](C(=O)[O-])C2=O)c1 ZINC000011890982 175275843 /nfs/dbraw/zinc/27/58/43/175275843.db2.gz UAQMHMKPYXUWLH-JTQLQIEISA-N -1 0 235.239 1.133 50 0 BDAARM COc1cccc([C@@H]2N[C@@H](C(=O)[O-])CS2)c1 ZINC000000040416 175290698 /nfs/dbraw/zinc/29/06/98/175290698.db2.gz TVACMXQCMBZPME-NXEZZACHSA-N -1 0 239.296 1.483 50 0 BDAARM COc1cccc([C@H]2N[C@H](C(=O)[O-])CS2)c1 ZINC000000040417 175296682 /nfs/dbraw/zinc/29/66/82/175296682.db2.gz TVACMXQCMBZPME-UWVGGRQHSA-N -1 0 239.296 1.483 50 0 BDAARM COc1cccc2c1O[C@H](C)C(C(=O)[O-])=C2 ZINC000095470834 175305092 /nfs/dbraw/zinc/30/50/92/175305092.db2.gz VDHSVSWDZHWJAP-SSDOTTSWSA-N -1 0 220.224 1.944 50 0 BDAARM C[C@@H](C(=O)[O-])n1nc(-c2ccccc2)ccc1=O ZINC000011567933 175628363 /nfs/dbraw/zinc/62/83/63/175628363.db2.gz LUBMKFPOYCNRQV-VIFPVBQESA-N -1 0 244.250 1.556 50 0 BDAARM C[C@@H](Oc1ccc(F)cc1F)C(=O)[O-] ZINC000002526126 176004644 /nfs/dbraw/zinc/00/46/44/176004644.db2.gz WAKAFGLBHPKARJ-RXMQYKEDSA-N -1 0 202.156 1.817 50 0 BDAARM C[C@@H]1CC/C(=C\C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000328590448 176056374 /nfs/dbraw/zinc/05/63/74/176056374.db2.gz YMSJQPORZATALT-LCIINNLCSA-N -1 0 237.299 1.666 50 0 BDAARM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C1 ZINC000169676196 176094824 /nfs/dbraw/zinc/09/48/24/176094824.db2.gz SOMJPPGYJWKMIA-BBBLOLIVSA-N -1 0 239.315 1.602 50 0 BDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])c2ccccc21 ZINC000299749115 176255979 /nfs/dbraw/zinc/25/59/79/176255979.db2.gz JHGBERVIDIBOHJ-FBIMIBRVSA-N -1 0 245.278 1.857 50 0 BDAARM C[C@@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000006929864 176803945 /nfs/dbraw/zinc/80/39/45/176803945.db2.gz WPDVZLRFHGYRGS-DTWKUNHWSA-N -1 0 236.271 1.520 50 0 BDAARM C[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)N(C)C ZINC000008982510 177022212 /nfs/dbraw/zinc/02/22/12/177022212.db2.gz PDKUCNCBQKZYIC-QMMMGPOBSA-N -1 0 237.255 1.240 50 0 BDAARM C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000000133271 177023213 /nfs/dbraw/zinc/02/32/13/177023213.db2.gz IUZWIMVGNUDMDH-ZETCQYMHSA-N -1 0 234.207 1.645 50 0 biogenic BDAARM C[C@@H](NC(=O)CO[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000237547791 177084465 /nfs/dbraw/zinc/08/44/65/177084465.db2.gz ZEFLAYZRCCYHTE-AEJSXWLSSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H]1CCCC[C@H]1NC(=O)/C=C/C(=O)[O-] ZINC000004661275 177086579 /nfs/dbraw/zinc/08/65/79/177086579.db2.gz WHXVOGJPORPGRD-PUCWJLDJSA-N -1 0 211.261 1.322 50 0 BDAARM C[C@@H](NC(=O)CO[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000237565932 177089662 /nfs/dbraw/zinc/08/96/62/177089662.db2.gz ZEFLAYZRCCYHTE-IVZWLZJFSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H]1CC[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000040546661 177182243 /nfs/dbraw/zinc/18/22/43/177182243.db2.gz BSAYEGDCKUEPNE-YUMQZZPRSA-N -1 0 229.276 1.859 50 0 BDAARM Cc1c(Br)cnn1[C@@H](C)C(=O)[O-] ZINC000006254836 177556431 /nfs/dbraw/zinc/55/64/31/177556431.db2.gz RQEJWQWOMHSIQI-YFKPBYRVSA-N -1 0 233.065 1.600 50 0 BDAARM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000570709225 323068028 /nfs/dbraw/zinc/06/80/28/323068028.db2.gz HANUURUCTLXTNB-BWVDBABLSA-N -1 0 211.261 1.012 50 0 BDAARM Cn1ncc(-c2ccnc3[nH]ccc32)c1C(=O)[O-] ZINC000534633467 323156897 /nfs/dbraw/zinc/15/68/97/323156897.db2.gz YFLQGEYKJCPQNK-UHFFFAOYSA-N -1 0 242.238 1.662 50 0 BDAARM O=C([O-])CNC(=O)CC/C=C\c1ccccc1 ZINC000531997932 323166439 /nfs/dbraw/zinc/16/64/39/323166439.db2.gz NXOSLXZHLXTMBO-YWEYNIOJSA-N -1 0 233.267 1.681 50 0 BDAARM CC(C)=CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091255132 488038860 /nfs/dbraw/zinc/03/88/60/488038860.db2.gz NRBVLDVFMSZVDW-WDEREUQCSA-N -1 0 237.299 1.522 50 0 BDAARM O=C([O-])CCCNC(=O)CCc1ccccc1 ZINC000011891911 488084777 /nfs/dbraw/zinc/08/47/77/488084777.db2.gz BCVIIZATKIEONH-UHFFFAOYSA-N -1 0 235.283 1.600 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC000085006425 488120434 /nfs/dbraw/zinc/12/04/34/488120434.db2.gz QPYODLXMFBKTMB-UWVGGRQHSA-N -1 0 223.272 1.322 50 0 BDAARM C[C@@H]1C[C@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000115841835 488169612 /nfs/dbraw/zinc/16/96/12/488169612.db2.gz WZZGWPOKJCVJGU-SFYZADRCSA-N -1 0 229.276 1.717 50 0 BDAARM CC(C)(C)OC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000238098112 518844682 /nfs/dbraw/zinc/84/46/82/518844682.db2.gz SFJNIGJEGNLHBQ-SSDOTTSWSA-N -1 0 200.234 1.439 50 0 BDAARM CC(=O)Nc1ccccc1C(F)(F)C(=O)[O-] ZINC000238852881 519750218 /nfs/dbraw/zinc/75/02/18/519750218.db2.gz HPQLRFGZNVTZHW-UHFFFAOYSA-N -1 0 229.182 1.821 50 0 BDAARM CN(CCC(=O)[O-])C(=O)CC[C@H]1CCCCO1 ZINC000069385663 522682333 /nfs/dbraw/zinc/68/23/33/522682333.db2.gz HIYNAHVULBFQLJ-SNVBAGLBSA-N -1 0 243.303 1.269 50 0 BDAARM CC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000242701725 523995818 /nfs/dbraw/zinc/99/58/18/523995818.db2.gz WMPANUWJMFSCAC-LPEHRKFASA-N -1 0 227.304 1.792 50 0 BDAARM CC[C@H](C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000242495191 523995889 /nfs/dbraw/zinc/99/58/89/523995889.db2.gz FYTSGHDTYDVNGZ-LPEHRKFASA-N -1 0 225.288 1.568 50 0 BDAARM CC(C)(C)[C@H](NC(=O)c1cncs1)C(=O)[O-] ZINC000300349172 526707708 /nfs/dbraw/zinc/70/77/08/526707708.db2.gz YOVDWOODBOZVRV-SSDOTTSWSA-N -1 0 242.300 1.372 50 0 BDAARM CCc1nc2sccc2c(NCC(=O)[O-])n1 ZINC000263478696 536166264 /nfs/dbraw/zinc/16/62/64/536166264.db2.gz FUWGHCFKDJYDAA-UHFFFAOYSA-N -1 0 237.284 1.750 50 0 BDAARM Cn1nc(C(=O)[O-])cc1-c1ccccn1 ZINC000019726653 589974188 /nfs/dbraw/zinc/97/41/88/589974188.db2.gz LQTJXHCOODAVLD-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM O=C([O-])c1nc2ccc(Br)cn2n1 ZINC000095761046 635487086 /nfs/dbraw/zinc/48/70/86/635487086.db2.gz KRMYPFQROFUWFQ-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM COC(=O)[C@@H]1CC(C)=C[C@@H](C)[C@H]1C(=O)[O-] ZINC000005030898 633079309 /nfs/dbraw/zinc/07/93/09/633079309.db2.gz CXSSUKMQLDUVRC-IWSPIJDZSA-N -1 0 212.245 1.463 50 0 BDAARM O=C([O-])[C@H]1C(=O)CC(=O)C[C@H]1c1ccccc1 ZINC000019947255 633804328 /nfs/dbraw/zinc/80/43/28/633804328.db2.gz HTQUUUMPKJSRDL-CMPLNLGQSA-N -1 0 232.235 1.403 50 0 BDAARM O=S(=O)([N-]c1ccncc1)c1cccs1 ZINC000013947605 642515090 /nfs/dbraw/zinc/51/50/90/642515090.db2.gz JAKJJEIICHCFPU-UHFFFAOYSA-N -1 0 240.309 1.944 50 0 BDAARM CN(C)c1nc2ccc(C(=O)[O-])cc2o1 ZINC000076640153 711442721 /nfs/dbraw/zinc/44/27/21/711442721.db2.gz AZDIQNDLLGCIHK-UHFFFAOYSA-N -1 0 206.201 1.592 50 0 BDAARM C[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000002583059 988861969 /nfs/dbraw/zinc/86/19/69/988861969.db2.gz IGLUKFNPDYXRDD-RQJHMYQMSA-N -1 0 247.316 1.770 50 0 BDAARM Cc1cc(N2C[C@@H](C(=O)[O-])CC2=O)ccc1F ZINC000061097768 178120765 /nfs/dbraw/zinc/12/07/65/178120765.db2.gz UTSIKWMYNNYFSX-QMMMGPOBSA-N -1 0 237.230 1.572 50 0 BDAARM Cc1cc(NC(=O)[C@H]2CCOC2)ccc1C(=O)[O-] ZINC000044750075 178148285 /nfs/dbraw/zinc/14/82/85/178148285.db2.gz QJACNHVABKQRDC-VIFPVBQESA-N -1 0 249.266 1.668 50 0 BDAARM CC(=O)c1ccc(C(F)(F)C(=O)[O-])[nH]1 ZINC000074942031 398210869 /nfs/dbraw/zinc/21/08/69/398210869.db2.gz BFEIDMKODKXIOA-UHFFFAOYSA-N -1 0 203.144 1.394 50 0 BDAARM Cn1ccnc1[C@H](CC(=O)[O-])C(F)(F)F ZINC000075855273 398228536 /nfs/dbraw/zinc/22/85/36/398228536.db2.gz IFDSEWHXBGZYQZ-YFKPBYRVSA-N -1 0 222.166 1.541 50 0 BDAARM Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1N ZINC000003893718 178216783 /nfs/dbraw/zinc/21/67/83/178216783.db2.gz ALUOGQIJYSFBDJ-UHFFFAOYSA-N -1 0 229.301 1.947 50 0 BDAARM Cc1cc2nc(C(=O)[O-])c(=O)[nH]c2cc1C ZINC000045796224 178299880 /nfs/dbraw/zinc/29/98/80/178299880.db2.gz XZIXDYPKUMUNOZ-UHFFFAOYSA-N -1 0 218.212 1.238 50 0 BDAARM Cc1ccc(-c2cc(=O)n(CC(=O)[O-])cn2)cc1 ZINC000096530985 178317322 /nfs/dbraw/zinc/31/73/22/178317322.db2.gz IXEBNDUICPDFNY-UHFFFAOYSA-N -1 0 244.250 1.303 50 0 BDAARM Cc1ccc(-c2cc(=O)c(O)n[n-]2)cc1 ZINC000012341392 178317812 /nfs/dbraw/zinc/31/78/12/178317812.db2.gz HAJZXCKVNFFSNI-UHFFFAOYSA-N -1 0 202.213 1.039 50 0 BDAARM Cc1ccc(-c2nc(C(=O)[O-])no2)cc1 ZINC000001397934 178332648 /nfs/dbraw/zinc/33/26/48/178332648.db2.gz ABFCTUAMMFFSQC-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM Cc1ccc(-c2noc(C(=O)[O-])n2)cc1 ZINC000020269054 178342654 /nfs/dbraw/zinc/34/26/54/178342654.db2.gz OMSRWAXHRVPMCC-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM Cc1cc(C(=O)[O-])nn1-c1ccc(C)cn1 ZINC000067947932 178347151 /nfs/dbraw/zinc/34/71/51/178347151.db2.gz QXKVJZODMWFUKA-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)n1C ZINC000037588573 178380705 /nfs/dbraw/zinc/38/07/05/178380705.db2.gz RPTJBPWAYJEKPI-UHFFFAOYSA-N -1 0 236.271 1.023 50 0 BDAARM Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1C ZINC000037588456 178381386 /nfs/dbraw/zinc/38/13/86/178381386.db2.gz HRGWTBZVJODBPH-UHFFFAOYSA-N -1 0 247.294 1.993 50 0 BDAARM O=[S@@]([O-])c1cccc2nsnc21 ZINC000034428411 538953766 /nfs/dbraw/zinc/95/37/66/538953766.db2.gz DMPKQVVPTCQGKV-UHFFFAOYSA-N -1 0 200.244 1.272 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc(F)c2)N1 ZINC000000077888 342673114 /nfs/dbraw/zinc/67/31/14/342673114.db2.gz ZCIDMBKXEBMSLH-IUCAKERBSA-N -1 0 227.260 1.614 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(O)cc2)N1 ZINC000000085488 342673671 /nfs/dbraw/zinc/67/36/71/342673671.db2.gz TWPYJYQNZHPNGQ-IUCAKERBSA-N -1 0 225.269 1.180 50 0 biogenic BDAARM CCOc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000094128 342674051 /nfs/dbraw/zinc/67/40/51/342674051.db2.gz LMTIUWRMRAZPEN-BQYQJAHWSA-N -1 0 235.239 1.665 50 0 BDAARM O=C([O-])c1csc(-c2ccncc2)n1 ZINC000000113265 342675003 /nfs/dbraw/zinc/67/50/03/342675003.db2.gz COOQMBOJAAZEIR-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM Cc1cc(C)n(C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000000214432 342680227 /nfs/dbraw/zinc/68/02/27/342680227.db2.gz HEVSAZDNJFDDDR-GHMZBOCLSA-N -1 0 248.282 1.807 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000000266775 342681527 /nfs/dbraw/zinc/68/15/27/342681527.db2.gz WXPXDXDHJYRETJ-LLVKDONJSA-N -1 0 233.267 1.162 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000000365913 342685191 /nfs/dbraw/zinc/68/51/91/342685191.db2.gz KIIHNAFDWWCCQJ-UHFFFAOYSA-N -1 0 237.646 1.927 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2)N1 ZINC000000040088 342670966 /nfs/dbraw/zinc/67/09/66/342670966.db2.gz AZDYQBFYMBALBY-IUCAKERBSA-N -1 0 209.270 1.475 50 0 BDAARM O=C([O-])[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000000056573 342671883 /nfs/dbraw/zinc/67/18/83/342671883.db2.gz SDGXYUQKJPFLDG-ZETCQYMHSA-N -1 0 220.146 1.823 50 0 BDAARM CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000057449 342672129 /nfs/dbraw/zinc/67/21/29/342672129.db2.gz URWCIQUEFSJOJG-VIFPVBQESA-N -1 0 233.223 1.146 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000001081348 342697123 /nfs/dbraw/zinc/69/71/23/342697123.db2.gz BUEPEVBYNBQNED-HTQZYQBOSA-N -1 0 229.276 1.764 50 0 BDAARM O=S(=O)([O-])c1cccc2cnccc21 ZINC000001681255 342708732 /nfs/dbraw/zinc/70/87/32/342708732.db2.gz YFMJTLUPSMCTOQ-UHFFFAOYSA-N -1 0 209.226 1.482 50 0 in-vitro BDAARM O=S(=O)([O-])[C@H](O)c1cccc2ccccc21 ZINC000002163989 342716506 /nfs/dbraw/zinc/71/65/06/342716506.db2.gz DSGWTKWZXFRFFX-NSHDSACASA-N -1 0 238.264 1.719 50 0 BDAARM O=C([O-])CN1C[C@@H](c2ccccc2)CC1=O ZINC000002193591 342716788 /nfs/dbraw/zinc/71/67/88/342716788.db2.gz IBYVEHXQCORQKW-JTQLQIEISA-N -1 0 219.240 1.087 50 0 BDAARM CC(C)(C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000004671825 342750188 /nfs/dbraw/zinc/75/01/88/342750188.db2.gz FPOSIYHINNEBSP-UHFFFAOYSA-N -1 0 233.223 1.146 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)[C@@H]1Cc1ccccc1 ZINC000004110066 342742459 /nfs/dbraw/zinc/74/24/59/342742459.db2.gz XUZNWUPKDRCVGX-WDEREUQCSA-N -1 0 218.252 1.909 50 0 BDAARM O=C([O-])c1ccccc1NC(=O)[C@H]1CCCO1 ZINC000004197178 342743761 /nfs/dbraw/zinc/74/37/61/342743761.db2.gz MBSHSAISLICYDE-SNVBAGLBSA-N -1 0 235.239 1.502 50 0 BDAARM O=C([O-])c1ccccc1Cn1cncn1 ZINC000004384470 342747488 /nfs/dbraw/zinc/74/74/88/342747488.db2.gz KPKNLIVZZRDKGI-UHFFFAOYSA-N -1 0 203.201 1.025 50 0 BDAARM Cc1cc(C)n(-c2nc(C(=O)[O-])cs2)n1 ZINC000004468647 342747866 /nfs/dbraw/zinc/74/78/66/342747866.db2.gz LGYCXBIJEFYBLG-UHFFFAOYSA-N -1 0 223.257 1.644 50 0 BDAARM O=C([O-])c1ccc2[nH]c3c(c2c1)CCNC3=O ZINC000002527029 342722728 /nfs/dbraw/zinc/72/27/28/342722728.db2.gz RIEWYZWJBCZQDP-UHFFFAOYSA-N -1 0 230.223 1.152 50 0 BDAARM CCOc1cc(N)c(C(=O)[O-])cc1OCC ZINC000002529235 342722879 /nfs/dbraw/zinc/72/28/79/342722879.db2.gz KXEWHLXSXBEBMU-UHFFFAOYSA-N -1 0 225.244 1.764 50 0 BDAARM CCC[C@]1(CCC(=O)[O-])CCOC1=O ZINC000004582539 342749414 /nfs/dbraw/zinc/74/94/14/342749414.db2.gz SHNSIJFGCQNRRM-JTQLQIEISA-N -1 0 200.234 1.585 50 0 BDAARM Cc1c(N)cc(S(=O)(=O)[O-])cc1Cl ZINC000002584559 342725682 /nfs/dbraw/zinc/72/56/82/342725682.db2.gz RSCRGMCYBCTJGF-UHFFFAOYSA-N -1 0 221.665 1.477 50 0 BDAARM CC(C)(C)OC(=O)N1CCS[C@H]1C(=O)[O-] ZINC000002583072 342725878 /nfs/dbraw/zinc/72/58/78/342725878.db2.gz HYAXPNDMEODKHI-LURJTMIESA-N -1 0 233.289 1.381 50 0 BDAARM Cc1nn(Cc2ccccc2)cc1C(=O)[O-] ZINC000004998494 342756309 /nfs/dbraw/zinc/75/63/09/342756309.db2.gz NBBUHXANSADUKL-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM C[C@@H](O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000006476855 342778264 /nfs/dbraw/zinc/77/82/64/342778264.db2.gz GGPFOCXRQWRYNE-SSDOTTSWSA-N -1 0 236.296 1.440 50 0 BDAARM Cc1c(Br)cnn1[C@H](C)C(=O)[O-] ZINC000006254842 342775537 /nfs/dbraw/zinc/77/55/37/342775537.db2.gz RQEJWQWOMHSIQI-RXMQYKEDSA-N -1 0 233.065 1.600 50 0 BDAARM CSc1nc(=O)c(Cc2ccccc2)n[n-]1 ZINC000009134571 342808803 /nfs/dbraw/zinc/80/88/03/342808803.db2.gz UZKXPIHJBZEOAR-UHFFFAOYSA-N -1 0 233.296 1.478 50 0 BDAARM CC(C)CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000011638559 342842276 /nfs/dbraw/zinc/84/22/76/342842276.db2.gz PTXXCRICEBFHRL-SECBINFHSA-N -1 0 213.277 1.498 50 0 BDAARM CC(C)(C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000011639091 342842288 /nfs/dbraw/zinc/84/22/88/342842288.db2.gz HTSIMFPNXXBLBQ-UHFFFAOYSA-N -1 0 242.300 1.755 50 0 BDAARM Cc1ccc(NS(=O)(=O)CCC(=O)[O-])cc1 ZINC000011756020 342842965 /nfs/dbraw/zinc/84/29/65/342842965.db2.gz LYUZBWUSKPEOME-UHFFFAOYSA-N -1 0 243.284 1.211 50 0 BDAARM Cc1ccsc1/C=C1\NC(=O)[N-]C1=O ZINC000012403103 342851541 /nfs/dbraw/zinc/85/15/41/342851541.db2.gz FCYZXUYVZFESPZ-XQRVVYSFSA-N -1 0 208.242 1.237 50 0 BDAARM CCOc1ccc(-n2nncc2CC(=O)[O-])cc1 ZINC000011888203 342843926 /nfs/dbraw/zinc/84/39/26/342843926.db2.gz XWEWYICYHRKFET-UHFFFAOYSA-N -1 0 247.254 1.293 50 0 BDAARM O=C([O-])c1ccc2c(c1)nnn2C1CC1 ZINC000013681556 342870318 /nfs/dbraw/zinc/87/03/18/342870318.db2.gz UYVLESLXWSORKA-UHFFFAOYSA-N -1 0 203.201 1.464 50 0 BDAARM Cn1c2ccc(Cl)cc2nc1C(=O)[O-] ZINC000014001333 342875550 /nfs/dbraw/zinc/87/55/50/342875550.db2.gz GVLUKGCSZAAZJI-UHFFFAOYSA-N -1 0 210.620 1.925 50 0 BDAARM Cc1nonc1COc1ccc(C(=O)[O-])cc1 ZINC000014001360 342875644 /nfs/dbraw/zinc/87/56/44/342875644.db2.gz JKRUBPJMUHTZML-UHFFFAOYSA-N -1 0 234.211 1.655 50 0 BDAARM CCCC([O-])=C1C(=O)CC(C)(C)CC1=O ZINC000101950031 398319818 /nfs/dbraw/zinc/31/98/18/398319818.db2.gz VAPNOYMBLCEKKH-UHFFFAOYSA-N -1 0 210.273 1.930 50 0 BDAARM O=C([O-])c1ccc(CN2CCOCC2)s1 ZINC000016943917 342917626 /nfs/dbraw/zinc/91/76/26/342917626.db2.gz DSRVTNAXULZVAY-UHFFFAOYSA-N -1 0 227.285 1.279 50 0 BDAARM O=C([O-])[C@H]1N=NC(c2ccc(F)cc2)=CN1O ZINC000005673224 346877625 /nfs/dbraw/zinc/87/76/25/346877625.db2.gz BCYUMUIPNSOCTF-VIFPVBQESA-N -1 0 237.190 1.692 50 0 BDAARM O=c1cc([O-])nc2ccc(Br)cn12 ZINC000019143277 342942610 /nfs/dbraw/zinc/94/26/10/342942610.db2.gz SVGJFNCVLKQSPN-UHFFFAOYSA-N -1 0 241.044 1.163 50 0 BDAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)c(F)c1 ZINC000020283086 342980310 /nfs/dbraw/zinc/98/03/10/342980310.db2.gz JVHLLKSGJDLKIZ-MRVPVSSYSA-N -1 0 237.230 1.572 50 0 BDAARM COC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000020357948 342983529 /nfs/dbraw/zinc/98/35/29/342983529.db2.gz KBZVAQVEHVGIEI-UHFFFAOYSA-N -1 0 212.245 1.585 50 0 BDAARM O=C([O-])c1cc(Br)cn2ccnc12 ZINC000030678393 343193195 /nfs/dbraw/zinc/19/31/95/343193195.db2.gz XPFDJWFDQORPQO-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM CSCC[C@@H](Nc1ncccn1)C(=O)[O-] ZINC000031775776 343224380 /nfs/dbraw/zinc/22/43/80/343224380.db2.gz NVBBOWJRDCEIAQ-SSDOTTSWSA-N -1 0 227.289 1.095 50 0 biogenic BDAARM Cn1cc(-c2nc(C(=O)[O-])cs2)cn1 ZINC000032912346 343244060 /nfs/dbraw/zinc/24/40/60/343244060.db2.gz WPRROOODTALIEZ-UHFFFAOYSA-N -1 0 209.230 1.242 50 0 BDAARM O=C1[N-]C(=O)C2(COC3(CCCC3)OC2)S1 ZINC000001005499 343270298 /nfs/dbraw/zinc/27/02/98/343270298.db2.gz GQILHDBOFLLPAV-UHFFFAOYSA-N -1 0 243.284 1.025 50 0 BDAARM CN1c2cc(C(=O)[O-])ccc2C(C)(C)C1=O ZINC000034462535 343271668 /nfs/dbraw/zinc/27/16/68/343271668.db2.gz MVTDIBRFXKBESN-UHFFFAOYSA-N -1 0 219.240 1.639 50 0 BDAARM O=C([O-])c1nn(-c2ccc(Cl)cc2)cc1O ZINC000036721591 343322908 /nfs/dbraw/zinc/32/29/08/343322908.db2.gz MFQVFEHBGPWURG-UHFFFAOYSA-N -1 0 238.630 1.930 50 0 BDAARM CC(C)CN(C)c1ccc(C(=O)[O-])cn1 ZINC000037108985 343334302 /nfs/dbraw/zinc/33/43/02/343334302.db2.gz QWAQJSRQHWLZCI-UHFFFAOYSA-N -1 0 208.261 1.872 50 0 BDAARM O=C([O-])c1cccn1Cc1ccncc1 ZINC000035431547 343297045 /nfs/dbraw/zinc/29/70/45/343297045.db2.gz KCVWZQCSHAEPIG-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM Cc1nn2c(nc(C)cc2C)c1C(=O)[O-] ZINC000036379529 343316932 /nfs/dbraw/zinc/31/69/32/343316932.db2.gz XEUGZQWIQWRVSX-UHFFFAOYSA-N -1 0 205.217 1.353 50 0 BDAARM CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)[O-] ZINC000038538356 343376925 /nfs/dbraw/zinc/37/69/25/343376925.db2.gz OWKAFGALKWOGOO-NSHDSACASA-N -1 0 245.275 1.097 50 0 BDAARM O=C([O-])[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000037228339 343340210 /nfs/dbraw/zinc/34/02/10/343340210.db2.gz WBPMJYDOICNNEP-VIFPVBQESA-N -1 0 227.166 1.542 50 0 BDAARM COc1c2occc2c(OC)c(C(=O)[O-])c1O ZINC000038888727 343380274 /nfs/dbraw/zinc/38/02/74/343380274.db2.gz MVCAVODGPMRFNB-UHFFFAOYSA-N -1 0 238.195 1.854 50 0 BDAARM Nc1c2c(c(C(=O)[O-])cc1Cl)OCC2 ZINC000039118803 343385431 /nfs/dbraw/zinc/38/54/31/343385431.db2.gz KRMUVKSAOVLXLF-UHFFFAOYSA-N -1 0 213.620 1.555 50 0 BDAARM Nc1ncc(-c2ccccc2)nc1C(=O)[O-] ZINC000039310812 343388458 /nfs/dbraw/zinc/38/84/58/343388458.db2.gz AXXUKMYAQJKPMI-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM CC(C)c1[nH]nc(C(=O)[O-])c1Br ZINC000040162927 343397289 /nfs/dbraw/zinc/39/72/89/343397289.db2.gz WUTSFEOMMZCXFZ-UHFFFAOYSA-N -1 0 233.065 1.994 50 0 BDAARM Cc1ccc(N2CCS[C@@H]2C(=O)[O-])cc1 ZINC000004599796 343502712 /nfs/dbraw/zinc/50/27/12/343502712.db2.gz JZTNITXHWUANHS-SNVBAGLBSA-N -1 0 223.297 1.959 50 0 BDAARM CCc1csc(-n2cc(C(=O)[O-])cn2)n1 ZINC000061895038 343730090 /nfs/dbraw/zinc/73/00/90/343730090.db2.gz HOKWDDKSUNRVSE-UHFFFAOYSA-N -1 0 223.257 1.589 50 0 BDAARM Cc1ccc(CNC(=O)CCC(=O)[O-])o1 ZINC000004672781 343942564 /nfs/dbraw/zinc/94/25/64/343942564.db2.gz PNAXOHKGVYANLJ-UHFFFAOYSA-N -1 0 211.217 1.069 50 0 BDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccnc1 ZINC000070270931 343950554 /nfs/dbraw/zinc/95/05/54/343950554.db2.gz DJIVEMPXVXHZAE-GXSJLCMTSA-N -1 0 234.255 1.076 50 0 BDAARM O=C([O-])C[C@H]1CCC2(CCOCC2)CO1 ZINC000585139466 344151734 /nfs/dbraw/zinc/15/17/34/344151734.db2.gz JXSFVFCLQZFQPF-SECBINFHSA-N -1 0 214.261 1.437 50 0 BDAARM CCOC(=O)N1CCC([C@H](CC)C(=O)[O-])CC1 ZINC000116929373 537912300 /nfs/dbraw/zinc/91/23/00/537912300.db2.gz VGLQLAJJBRIHSV-JTQLQIEISA-N -1 0 243.303 1.966 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)CC1CCOCC1 ZINC000082250728 345906505 /nfs/dbraw/zinc/90/65/05/345906505.db2.gz IVGKHTMLSZALCL-UHFFFAOYSA-N -1 0 243.303 1.126 50 0 BDAARM Cc1ccc2c(c1)O[C@@]([O-])(C(F)(F)F)C(=O)N2 ZINC000002066522 178948984 /nfs/dbraw/zinc/94/89/84/178948984.db2.gz HTRVKJBHLMXDHV-SECBINFHSA-N -1 0 247.172 1.577 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cccc(C)c1 ZINC000011888141 179002199 /nfs/dbraw/zinc/00/21/99/179002199.db2.gz CFWWWVDWLUAXPU-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000095961814 179022623 /nfs/dbraw/zinc/02/26/23/179022623.db2.gz TUORVYSYPMGOBD-NWDGAFQWSA-N -1 0 247.294 1.978 50 0 BDAARM Cc1cccc(NCc2nn(C)c(=O)[n-]2)c1 ZINC000065363534 179151634 /nfs/dbraw/zinc/15/16/34/179151634.db2.gz GMXWAOSLKVJDDX-UHFFFAOYSA-N -1 0 218.260 1.029 50 0 BDAARM CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)[O-] ZINC000034612995 347271505 /nfs/dbraw/zinc/27/15/05/347271505.db2.gz XVVUENMKBOOKHM-VIFPVBQESA-N -1 0 220.224 1.804 50 0 BDAARM Cc1ccccc1CS(=O)(=O)CCC(=O)[O-] ZINC000000260458 179287553 /nfs/dbraw/zinc/28/75/53/179287553.db2.gz NLTFRALRLMCOLH-UHFFFAOYSA-N -1 0 242.296 1.385 50 0 BDAARM Cc1ccccc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000000102669 179350861 /nfs/dbraw/zinc/35/08/61/179350861.db2.gz QZTWUCKRQBPLEB-UWVGGRQHSA-N -1 0 223.297 1.783 50 0 BDAARM CC(=O)Nc1ccc(C(=O)[O-])c(NC(C)=O)c1 ZINC000000608700 187391342 /nfs/dbraw/zinc/39/13/42/187391342.db2.gz UZGYKGBZSGOYCM-UHFFFAOYSA-N -1 0 236.227 1.302 50 0 BDAARM Cc1c(Cl)nc2ccc(C(=O)[O-])cn2c1=O ZINC000725245916 538005289 /nfs/dbraw/zinc/00/52/89/538005289.db2.gz ZGEKCVBJZMJHIQ-UHFFFAOYSA-N -1 0 238.630 1.355 50 0 BDAARM COc1ccccc1-c1nnc(C(=O)[O-])s1 ZINC000075091454 348777251 /nfs/dbraw/zinc/77/72/51/348777251.db2.gz XPFIZQNBLBZJSR-UHFFFAOYSA-N -1 0 236.252 1.912 50 0 BDAARM Cc1n[n-]c(NC2CCCCCCC2)nc1=O ZINC000005009529 179837289 /nfs/dbraw/zinc/83/72/89/179837289.db2.gz YLQUOPBNLZEJRY-UHFFFAOYSA-N -1 0 236.319 1.998 50 0 BDAARM Cc1nc2cc(F)c(F)cc2n1CC(=O)[O-] ZINC000055306149 180080193 /nfs/dbraw/zinc/08/01/93/180080193.db2.gz OTMOXUQANGOJJM-UHFFFAOYSA-N -1 0 226.182 1.708 50 0 BDAARM Cc1nc2ccnn2c(C)c1CCC(=O)[O-] ZINC000002800004 180106662 /nfs/dbraw/zinc/10/66/62/180106662.db2.gz KKNZEDKUTOBTGU-UHFFFAOYSA-N -1 0 219.244 1.363 50 0 BDAARM CC(C)CC(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256478 538058431 /nfs/dbraw/zinc/05/84/31/538058431.db2.gz PKUKGPAYBYKVAL-UHFFFAOYSA-N -1 0 212.205 1.357 50 0 BDAARM Cc1ncc(C(=O)[O-])cc1Br ZINC000076645315 180135952 /nfs/dbraw/zinc/13/59/52/180135952.db2.gz FYZSBHFDCHGDER-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM CC1(C)OC(=O)C(=C([O-])c2ccccc2)C(=O)O1 ZINC000100667753 191063530 /nfs/dbraw/zinc/06/35/30/191063530.db2.gz RVMXFSOMMMCGSV-UHFFFAOYSA-N -1 0 248.234 1.792 50 0 BDAARM CC(C)[C@H](O)CC(=O)Nc1ccc(O)cc1F ZINC000124611394 191078371 /nfs/dbraw/zinc/07/83/71/191078371.db2.gz UFILWYAXIVVUKJ-LLVKDONJSA-N -1 0 241.262 1.877 50 0 BDAARM O=C([O-])[C@H]1CSCN1Cc1ccccc1 ZINC000040449117 350364984 /nfs/dbraw/zinc/36/49/84/350364984.db2.gz MIGLKSVCVLGQGO-SNVBAGLBSA-N -1 0 223.297 1.646 50 0 BDAARM Cc1nn(C)cc1-c1cc(C(=O)[O-])no1 ZINC000002538050 180365562 /nfs/dbraw/zinc/36/55/62/180365562.db2.gz POAACBFRLKLYDU-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM Cc1nn(C)cc1C(=O)c1ccccc1[O-] ZINC000002787658 180373651 /nfs/dbraw/zinc/37/36/51/180373651.db2.gz NNVIJTOAQIQCDS-UHFFFAOYSA-N -1 0 216.240 1.665 50 0 BDAARM Cc1nn(C)cc1CSCCC(=O)[O-] ZINC000002537913 180377036 /nfs/dbraw/zinc/37/70/36/180377036.db2.gz QFRFYAIOKZBWIF-UHFFFAOYSA-N -1 0 214.290 1.436 50 0 BDAARM Cc1nn(C)cc1CSCC(=O)[O-] ZINC000002537909 180377925 /nfs/dbraw/zinc/37/79/25/180377925.db2.gz GQEIVKMZGKCEMT-UHFFFAOYSA-N -1 0 200.263 1.046 50 0 BDAARM Cc1nn([C@@H]2CCCCO2)c(C)c1C(=O)[O-] ZINC000238856056 180391870 /nfs/dbraw/zinc/39/18/70/180391870.db2.gz USWARDWJLFRKLM-VIFPVBQESA-N -1 0 224.260 1.897 50 0 BDAARM Cc1nn(CC(=O)[O-])c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000195104 180386583 /nfs/dbraw/zinc/38/65/83/180386583.db2.gz RVIRSEHMYVUREV-RDDDGLTNSA-N -1 0 220.272 1.572 50 0 biogenic BDAARM C/C(=C\C(=O)N1CCCC[C@H]1C(=O)[O-])C1CC1 ZINC000128589772 187467280 /nfs/dbraw/zinc/46/72/80/187467280.db2.gz LXLVBEBWXLVIPS-FBOQAHMBSA-N -1 0 237.299 1.808 50 0 BDAARM CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C(O)C(=O)[O-] ZINC000238853551 187466891 /nfs/dbraw/zinc/46/68/91/187466891.db2.gz JZNKIJDJYKNHEP-QRPMWFLTSA-N -1 0 224.256 1.282 50 0 BDAARM Cc1oc(C)c(C(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000054333286 180531027 /nfs/dbraw/zinc/53/10/27/180531027.db2.gz WFJKQZMDYDZPPH-ZCFIWIBFSA-N -1 0 239.271 1.655 50 0 BDAARM Cc1ocnc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000237688075 180547834 /nfs/dbraw/zinc/54/78/34/180547834.db2.gz XAXARMMZTWWTIB-UHFFFAOYSA-N -1 0 238.243 1.110 50 0 BDAARM CC(C)CS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000019514316 187488276 /nfs/dbraw/zinc/48/82/76/187488276.db2.gz NMKNLHUSEFYSTH-UHFFFAOYSA-N -1 0 242.296 1.815 50 0 BDAARM O=C([O-])c1coc(=O)c(Br)c1 ZINC000003900984 352395079 /nfs/dbraw/zinc/39/50/79/352395079.db2.gz OLFBKUQZKITGSJ-UHFFFAOYSA-N -1 0 218.990 1.101 50 0 BDAARM Cc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000004104996 352563666 /nfs/dbraw/zinc/56/36/66/352563666.db2.gz LGGQJJIYOGSNMV-SFYZADRCSA-N -1 0 237.230 1.793 50 0 BDAARM CC(C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000232619267 353144058 /nfs/dbraw/zinc/14/40/58/353144058.db2.gz UJMJAOPEYMXJAL-BDAKNGLRSA-N -1 0 213.277 1.354 50 0 BDAARM CCOc1ccccc1NC(=O)CCC(=O)[O-] ZINC000000064855 188098405 /nfs/dbraw/zinc/09/84/05/188098405.db2.gz NXOUCQNQHASBSR-UHFFFAOYSA-N -1 0 237.255 1.889 50 0 BDAARM CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000000045787 188099166 /nfs/dbraw/zinc/09/91/66/188099166.db2.gz TZXJLFBEXYSTJG-UHFFFAOYSA-N -1 0 213.620 1.997 50 0 BDAARM CC(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000383596 188099696 /nfs/dbraw/zinc/09/96/96/188099696.db2.gz OXGBTVAWGOSFIX-UHFFFAOYSA-N -1 0 207.229 1.979 50 0 BDAARM CC1(C)SC(C)(C)N(C=O)[C@H]1C(=O)[O-] ZINC000000397916 188099889 /nfs/dbraw/zinc/09/98/89/188099889.db2.gz QEIKJZZSMZXSAI-LURJTMIESA-N -1 0 217.290 1.160 50 0 BDAARM CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000003866353 188102044 /nfs/dbraw/zinc/10/20/44/188102044.db2.gz HNQZRZNWHKVZEX-JTQLQIEISA-N -1 0 239.246 1.665 50 0 BDAARM CC(=O)c1cnc(SCC(=O)[O-])nc1C ZINC000005721644 188102637 /nfs/dbraw/zinc/10/26/37/188102637.db2.gz FERRUCSHSCFFPP-UHFFFAOYSA-N -1 0 226.257 1.164 50 0 BDAARM Cc1c(C(=O)[O-])sc2nc(C)nc(N)c12 ZINC000009220751 188104083 /nfs/dbraw/zinc/10/40/83/188104083.db2.gz NUNLMHVODYNYSB-UHFFFAOYSA-N -1 0 223.257 1.589 50 0 BDAARM CCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000011638234 188105297 /nfs/dbraw/zinc/10/52/97/188105297.db2.gz WQIMCNDDLFCXFG-UHFFFAOYSA-N -1 0 209.201 1.439 50 0 in-vitro BDAARM O=Cc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000020494327 188108465 /nfs/dbraw/zinc/10/84/65/188108465.db2.gz QNVVKMWQZKBGIK-UHFFFAOYSA-N -1 0 203.197 1.538 50 0 biogenic BDAARM O=C([O-])c1nc(-c2ccncc2)cs1 ZINC000020444532 188108867 /nfs/dbraw/zinc/10/88/67/188108867.db2.gz GYDKRMNFUXPIKN-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM CC(=O)Nc1ccc(Cl)c(C(=O)[O-])n1 ZINC000038537880 188117559 /nfs/dbraw/zinc/11/75/59/188117559.db2.gz KSBJMIADAUOHHA-UHFFFAOYSA-N -1 0 214.608 1.392 50 0 BDAARM Cc1noc(C)c1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000042695048 188120610 /nfs/dbraw/zinc/12/06/10/188120610.db2.gz AADGXVFAHDRZCK-ZCFIWIBFSA-N -1 0 240.259 1.084 50 0 BDAARM CC(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccccc1 ZINC000047844108 188125085 /nfs/dbraw/zinc/12/50/85/188125085.db2.gz ABTIPMDRAIMXRS-LLVKDONJSA-N -1 0 232.239 1.295 50 0 BDAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccccc1F ZINC000011025496 188162295 /nfs/dbraw/zinc/16/22/95/188162295.db2.gz WQSSJEABQCDTHV-VOTSOKGWSA-N -1 0 223.203 1.795 50 0 BDAARM CC(C)(C)OC(=O)N1CSCC[C@H]1C(=O)[O-] ZINC000095836237 188147372 /nfs/dbraw/zinc/14/73/72/188147372.db2.gz BXVMDHQHMAEZRG-ZETCQYMHSA-N -1 0 247.316 1.771 50 0 BDAARM Cc1ccc(CCCC(=O)NCC(=O)[O-])cc1 ZINC000098125960 188148797 /nfs/dbraw/zinc/14/87/97/188148797.db2.gz ULMVBIKTOWNHDW-UHFFFAOYSA-N -1 0 235.283 1.519 50 0 BDAARM Cc1cc(O)ccc1NC(=O)/C=C\C(=O)[O-] ZINC000031861575 188181644 /nfs/dbraw/zinc/18/16/44/188181644.db2.gz ZMIMYKWCTIRVED-PLNGDYQASA-N -1 0 221.212 1.280 50 0 BDAARM CC(C)(NC(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000040910098 188215616 /nfs/dbraw/zinc/21/56/16/188215616.db2.gz PCXJXQSWVDHDPM-UHFFFAOYSA-N -1 0 249.266 1.215 50 0 BDAARM Cc1cccc(C(=O)N2CC(CF)C2)c1O ZINC000335221567 355061768 /nfs/dbraw/zinc/06/17/68/355061768.db2.gz KHCJSJWGJKBTKI-UHFFFAOYSA-N -1 0 223.247 1.742 50 0 BDAARM CC(C)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262104539 191378630 /nfs/dbraw/zinc/37/86/30/191378630.db2.gz DUPCHSLCUKUANS-UHFFFAOYSA-N -1 0 235.283 1.794 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC000675050566 538472383 /nfs/dbraw/zinc/47/23/83/538472383.db2.gz ANUPNVJQXDMSJJ-KYZUINATSA-N -1 0 221.260 1.532 50 0 BDAARM O=C([O-])CCNc1nnc(C(F)(F)F)s1 ZINC000168075113 134155339 /nfs/dbraw/zinc/15/53/39/134155339.db2.gz RUQKBROCSLCJGP-UHFFFAOYSA-N -1 0 241.194 1.444 50 0 BDAARM CC(=O)N1c2ccc([S@@](=O)[O-])cc2C[C@H]1C ZINC000125978912 538526901 /nfs/dbraw/zinc/52/69/01/538526901.db2.gz KKFNHAFEPUOFID-SSDOTTSWSA-N -1 0 239.296 1.565 50 0 BDAARM O=C([O-])N1C(=O)CN(c2ccccc2)C1=O ZINC000075250970 356914421 /nfs/dbraw/zinc/91/44/21/356914421.db2.gz TWDODEOBBWETCM-UHFFFAOYSA-N -1 0 220.184 1.133 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)n1cccn1 ZINC000006343030 357994464 /nfs/dbraw/zinc/99/44/64/357994464.db2.gz OSMWZCZLRCBONG-DTWKUNHWSA-N -1 0 220.228 1.190 50 0 BDAARM CC(C)(C(=O)[O-])[C@@H](O)c1cccc(O)c1 ZINC000052267535 166513657 /nfs/dbraw/zinc/51/36/57/166513657.db2.gz QJBIZXXUKJVWLK-VIFPVBQESA-N -1 0 210.229 1.536 50 0 BDAARM O=C([O-])C(=O)c1cccc(Br)c1 ZINC000039191296 219821129 /nfs/dbraw/zinc/82/11/29/219821129.db2.gz NOKUFSBJFYUWLW-UHFFFAOYSA-N -1 0 229.029 1.716 50 0 BDAARM NC(=O)c1cccc(-c2ccc(C(=O)[O-])nc2)c1 ZINC000065347727 181302625 /nfs/dbraw/zinc/30/26/25/181302625.db2.gz VBYWEEHDAOXFSY-UHFFFAOYSA-N -1 0 242.234 1.546 50 0 BDAARM CC(C)C[C@H](NC(=O)C1CCOCC1)C(=O)[O-] ZINC000020249549 200653543 /nfs/dbraw/zinc/65/35/43/200653543.db2.gz OMNNBTJGOJMTCA-JTQLQIEISA-N -1 0 243.303 1.029 50 0 BDAARM CC(C)CSc1nc(O)c(CC(=O)[O-])s1 ZINC000034927049 200653746 /nfs/dbraw/zinc/65/37/46/200653746.db2.gz VNGXVBLOSQRYJH-ZCFIWIBFSA-N -1 0 247.341 1.848 50 0 BDAARM Cc1cc(C)c(C(=O)N[C@@H](C)CC(=O)[O-])s1 ZINC000630133051 363960028 /nfs/dbraw/zinc/96/00/28/363960028.db2.gz RAFCLZATQBBHQX-ZETCQYMHSA-N -1 0 241.312 1.958 50 0 BDAARM Cn1nc(C2CC2)c2c1nccc2C(=O)[O-] ZINC000214922697 364017575 /nfs/dbraw/zinc/01/75/75/364017575.db2.gz GBMWACMBADCBNH-UHFFFAOYSA-N -1 0 217.228 1.544 50 0 BDAARM O=C([O-])CCCNC(=O)c1ccc2c(c1)CCO2 ZINC000037434194 364030370 /nfs/dbraw/zinc/03/03/70/364030370.db2.gz BPFMWBIBGANKJG-UHFFFAOYSA-N -1 0 249.266 1.216 50 0 BDAARM O=C([O-])C1=NC(=O)N[C@@H](C2CCCCC2)C1 ZINC000034482670 368369150 /nfs/dbraw/zinc/36/91/50/368369150.db2.gz HPVDCFLHYWZQCI-MRVPVSSYSA-N -1 0 224.260 1.217 50 0 BDAARM O=C([O-])[C@@H]1c2ccccc2C(=O)OC12CCC2 ZINC000584880061 368858429 /nfs/dbraw/zinc/85/84/29/368858429.db2.gz LSIJUKOWOFCARU-JTQLQIEISA-N -1 0 232.235 1.948 50 0 BDAARM O=c1[n-]c(-c2cnn3ccncc23)ncc1F ZINC000118370023 371015092 /nfs/dbraw/zinc/01/50/92/371015092.db2.gz WSFYDHDOIJTARJ-UHFFFAOYSA-N -1 0 231.190 1.031 50 0 BDAARM CC[C@@H](C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000019708054 371184995 /nfs/dbraw/zinc/18/49/95/371184995.db2.gz ICRRWZRATRTOEH-YIZRAAEISA-N -1 0 239.271 1.025 50 0 BDAARM [NH3+][C@@H](CCCCCCCCCC(=O)[O-])C(=O)[O-] ZINC000002106542 181543655 /nfs/dbraw/zinc/54/36/55/181543655.db2.gz QKSAWGVCRKODEH-JTQLQIEISA-N -1 0 245.319 1.994 50 0 biogenic BDAARM Cc1ccc(F)c(NC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000079066255 371179177 /nfs/dbraw/zinc/17/91/77/371179177.db2.gz ZRLVPGJUDXGEAB-UHFFFAOYSA-N -1 0 236.206 1.210 50 0 BDAARM CCOc1ccc(-n2cc(C(=O)[O-])nn2)cc1 ZINC000020216546 371241718 /nfs/dbraw/zinc/24/17/18/371241718.db2.gz VWRYLLXUYOWNOC-UHFFFAOYSA-N -1 0 233.227 1.364 50 0 BDAARM Nc1cc(Br)cc(C(=O)[O-])c1N ZINC000096028378 181677806 /nfs/dbraw/zinc/67/78/06/181677806.db2.gz JVEDLHSFCNPYJQ-UHFFFAOYSA-N -1 0 231.049 1.312 50 0 BDAARM Nc1cc(C(=O)[O-])sc1Br ZINC000005749135 181679796 /nfs/dbraw/zinc/67/97/96/181679796.db2.gz YYJRQBYVIMZIIX-UHFFFAOYSA-N -1 0 222.063 1.791 50 0 BDAARM Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC000002041007 181710185 /nfs/dbraw/zinc/71/01/85/181710185.db2.gz ZCGVPUAAMCMLTM-UHFFFAOYSA-N -1 0 207.638 1.169 50 0 BDAARM Cc1ccc(CCN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000002944834 371710016 /nfs/dbraw/zinc/71/00/16/371710016.db2.gz ARRIDUGUVCPYMT-GFCCVEGCSA-N -1 0 247.294 1.471 50 0 BDAARM Nc1sc2c(c1C(=O)[O-])CCSC2 ZINC000084234193 181820710 /nfs/dbraw/zinc/82/07/10/181820710.db2.gz KJRCJPRGCXZYII-UHFFFAOYSA-N -1 0 215.299 1.818 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)c1cccnc1 ZINC000057526980 371858768 /nfs/dbraw/zinc/85/87/68/371858768.db2.gz TWEUHYVVKDLNJL-UHFFFAOYSA-N -1 0 236.271 1.264 50 0 BDAARM CC1(C)CN(c2ccsc2C(=O)[O-])C1=O ZINC000004107595 372142565 /nfs/dbraw/zinc/14/25/65/372142565.db2.gz GCTMNVHGERHJLE-UHFFFAOYSA-N -1 0 225.269 1.819 50 0 BDAARM O=C([O-])c1cc2cc3c(cc2[nH]1)OCCO3 ZINC000004218750 372172930 /nfs/dbraw/zinc/17/29/30/372172930.db2.gz OGNISQJNVXONKJ-UHFFFAOYSA-N -1 0 219.196 1.637 50 0 BDAARM O=C([O-])c1cccc(NC(=O)C[C@H]2CCCO2)c1 ZINC000095949659 182029950 /nfs/dbraw/zinc/02/99/50/182029950.db2.gz PJFJHMRLHMPKPF-LLVKDONJSA-N -1 0 249.266 1.892 50 0 BDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCOC2)cc1 ZINC000040929343 373928722 /nfs/dbraw/zinc/92/87/22/373928722.db2.gz NNOCFCADLVLMFI-LLVKDONJSA-N -1 0 249.266 1.038 50 0 BDAARM O=C([N-]C[C@H](O)c1ccccc1)C(F)(F)F ZINC000038003865 182233958 /nfs/dbraw/zinc/23/39/58/182233958.db2.gz FZQBDQGADVTUDJ-QMMMGPOBSA-N -1 0 233.189 1.399 50 0 BDAARM O=C([O-])c1ccc(NC(=O)c2ccco2)cc1O ZINC000004945040 182352935 /nfs/dbraw/zinc/35/29/35/182352935.db2.gz LJIIJMMNGKIFRX-UHFFFAOYSA-N -1 0 247.206 1.936 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccon1 ZINC000028225447 182389345 /nfs/dbraw/zinc/38/93/45/182389345.db2.gz YPJGYFWCFUVDGT-JGVFFNPUSA-N -1 0 236.227 1.280 50 0 BDAARM O=C([O-])/C=C/C(=O)N1CCc2ccccc21 ZINC000000134076 182409383 /nfs/dbraw/zinc/40/93/83/182409383.db2.gz XCYGCNJVPDEBPR-AATRIKPKSA-N -1 0 217.224 1.217 50 0 BDAARM O=C([O-])C1=NO[C@H](c2ccc(F)c(F)c2)C1 ZINC000012398976 182427741 /nfs/dbraw/zinc/42/77/41/182427741.db2.gz WIFXKNNOSGOZBW-VIFPVBQESA-N -1 0 227.166 1.867 50 0 BDAARM O=C([O-])CCC(=O)O[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000000143272 182434849 /nfs/dbraw/zinc/43/48/49/182434849.db2.gz JSLHQOQJMVNMBF-VGMNWLOBSA-N -1 0 212.245 1.583 50 0 BDAARM O=C([O-])CCCn1c(=O)[nH]c2ccccc21 ZINC000016698697 182442648 /nfs/dbraw/zinc/44/26/48/182442648.db2.gz PTNUQSFEJXMNOQ-UHFFFAOYSA-N -1 0 220.228 1.194 50 0 in-vitro BDAARM O=C([O-])CCNC(=O)NC1CCCCC1 ZINC000008754395 182445820 /nfs/dbraw/zinc/44/58/20/182445820.db2.gz NSDHVSZEDZTXKH-UHFFFAOYSA-N -1 0 214.265 1.093 50 0 BDAARM O=C([O-])CC[C@@H]1COc2ccccc2O1 ZINC000004196479 182450505 /nfs/dbraw/zinc/45/05/05/182450505.db2.gz RSELCPGRYREMTC-MRVPVSSYSA-N -1 0 208.213 1.691 50 0 BDAARM O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccco1 ZINC000004717915 182475256 /nfs/dbraw/zinc/47/52/56/182475256.db2.gz ZFGSNKQYMRUJLC-MRVPVSSYSA-N -1 0 249.222 1.818 50 0 BDAARM O=C([O-])Cn1c2ccccc2nc1C1CC1 ZINC000015635396 182496139 /nfs/dbraw/zinc/49/61/39/182496139.db2.gz CTCIUZFLHYEPHX-UHFFFAOYSA-N -1 0 216.240 1.998 50 0 BDAARM O=C([O-])[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000334163900 182501038 /nfs/dbraw/zinc/50/10/38/182501038.db2.gz WQIKSOQPKGGKRQ-PHDIDXHHSA-N -1 0 228.166 1.055 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(OCc2ccccc2)C1 ZINC000095348060 182507142 /nfs/dbraw/zinc/50/71/42/182507142.db2.gz WDFHLEMSQSCONQ-SNVBAGLBSA-N -1 0 235.239 1.051 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000011891169 182513762 /nfs/dbraw/zinc/51/37/62/182513762.db2.gz MDGRADDJNYXDFF-SSDOTTSWSA-N -1 0 241.193 1.402 50 0 BDAARM O=C([O-])[C@@]1(c2ccccc2)CC[C@@H](O)C1 ZINC000000295334 182524802 /nfs/dbraw/zinc/52/48/02/182524802.db2.gz OUJQRDINJYZZNS-PWSUYJOCSA-N -1 0 206.241 1.554 50 0 BDAARM O=C([O-])[C@H]1COc2ccc(Cl)cc2C1 ZINC000002599389 182542936 /nfs/dbraw/zinc/54/29/36/182542936.db2.gz UTLYAMDODADLNQ-SSDOTTSWSA-N -1 0 212.632 1.976 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1Cc2ccccc2C1 ZINC000050911340 182543991 /nfs/dbraw/zinc/54/39/91/182543991.db2.gz FECVBULPMRJBKV-QWRGUYRKSA-N -1 0 231.251 1.250 50 0 BDAARM O=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000013526594 182554966 /nfs/dbraw/zinc/55/49/66/182554966.db2.gz YYEOXPLPYNYVRY-UHFFFAOYSA-N -1 0 202.213 1.699 50 0 in-vivo BDAARM O=C([O-])c1cc(Cl)ccc1-n1cnnn1 ZINC000011804348 182555195 /nfs/dbraw/zinc/55/51/95/182555195.db2.gz OSXJGDGNJRHIKP-UHFFFAOYSA-N -1 0 224.607 1.014 50 0 BDAARM O=C([O-])c1cc(N2CCNC2=O)ccc1F ZINC000037474034 182555921 /nfs/dbraw/zinc/55/59/21/182555921.db2.gz SOHFPMDLJYDBLD-UHFFFAOYSA-N -1 0 224.191 1.054 50 0 BDAARM O=C([O-])c1ccc(C(F)(F)F)[nH]c1=O ZINC000000154422 182564847 /nfs/dbraw/zinc/56/48/47/182564847.db2.gz JPOIZUVDMRHIIT-UHFFFAOYSA-N -1 0 207.107 1.092 50 0 BDAARM O=C([O-])c1ccc(CNC(=O)C2CCC2)cc1 ZINC000002758485 182566751 /nfs/dbraw/zinc/56/67/51/182566751.db2.gz DSHQMDOYVWBAAW-UHFFFAOYSA-N -1 0 233.267 1.801 50 0 BDAARM O=C([O-])c1cc2cc(Br)ccn2n1 ZINC000095707782 182560232 /nfs/dbraw/zinc/56/02/32/182560232.db2.gz FFUOCWOSRKGHRR-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM O=C([O-])c1cc2nccc(C3CC3)n2n1 ZINC000002802691 182560915 /nfs/dbraw/zinc/56/09/15/182560915.db2.gz XOVLKCCLXCOOOZ-UHFFFAOYSA-N -1 0 203.201 1.305 50 0 BDAARM O=C([O-])c1cn2cc(Br)sc2n1 ZINC000082310695 182588184 /nfs/dbraw/zinc/58/81/84/182588184.db2.gz ZZARZXAKQBCCBX-UHFFFAOYSA-N -1 0 247.073 1.857 50 0 BDAARM O=C([O-])c1noc(-c2cc(F)ccc2F)n1 ZINC000071047979 182597637 /nfs/dbraw/zinc/59/76/37/182597637.db2.gz CQBKUFWTQFMIAZ-UHFFFAOYSA-N -1 0 226.138 1.713 50 0 BDAARM O=c1[nH]c(=O)c2n(-c3ccccc3)[nH][n-]c1=2 ZINC000005016255 182790329 /nfs/dbraw/zinc/79/03/29/182790329.db2.gz WVJWLJDFVHKEON-SFYZADRCSA-N -1 0 216.200 1.108 50 0 BDAARM O=c1nc(Nc2ncccn2)[n-]c2ccsc21 ZINC000065363918 183010371 /nfs/dbraw/zinc/01/03/71/183010371.db2.gz QQHRZRPKNICDCC-UHFFFAOYSA-N -1 0 245.267 1.518 50 0 BDAARM CCCCn1c(=N)n(CC(=O)[O-])c2ccccc21 ZINC000002268121 169032586 /nfs/dbraw/zinc/03/25/86/169032586.db2.gz UFHGIBUXAYYQPM-UHFFFAOYSA-N -1 0 247.298 1.807 50 0 BDAARM O=c1cnnc(SCCc2ccccc2)[n-]1 ZINC000008670377 183305036 /nfs/dbraw/zinc/30/50/36/183305036.db2.gz QAXYJUSPGKNJBF-UHFFFAOYSA-N -1 0 233.296 1.912 50 0 BDAARM CCCN1C(=O)S/C(=C\C(=O)[O-])C1=O ZINC000001239573 169184629 /nfs/dbraw/zinc/18/46/29/169184629.db2.gz AVKQRVWJCAALFZ-PLNGDYQASA-N -1 0 215.230 1.060 50 0 BDAARM O=c1[n-]cnc(Cl)c1Br ZINC000039295281 183309539 /nfs/dbraw/zinc/30/95/39/183309539.db2.gz DJLOSYPUWAVPKJ-UHFFFAOYSA-N -1 0 209.430 1.598 50 0 BDAARM CCCSc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000008579884 169342314 /nfs/dbraw/zinc/34/23/14/169342314.db2.gz JALTWXNNXYRDFQ-UHFFFAOYSA-N -1 0 242.300 1.620 50 0 BDAARM CCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000011736411 169334056 /nfs/dbraw/zinc/33/40/56/169334056.db2.gz OUGORDGQIQRLMG-UHFFFAOYSA-N -1 0 243.284 1.537 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@@H]1C(=O)[O-] ZINC000015593993 166657628 /nfs/dbraw/zinc/65/76/28/166657628.db2.gz RTWMQNSZCUYSJJ-BWZBUEFSSA-N -1 0 227.260 1.326 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000032098929 166666087 /nfs/dbraw/zinc/66/60/87/166666087.db2.gz FEPYBSDCOQXJAI-RKDXNWHRSA-N -1 0 241.287 1.931 50 0 BDAARM CCCc1cc(=O)n2nc(SC)[n-]c2n1 ZINC000100125771 169562786 /nfs/dbraw/zinc/56/27/86/169562786.db2.gz DXWJNELAVKZGFR-UHFFFAOYSA-N -1 0 224.289 1.092 50 0 BDAARM C[C@@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000039441 383820117 /nfs/dbraw/zinc/82/01/17/383820117.db2.gz SWIUEMANOAFYHY-SSDOTTSWSA-N -1 0 208.217 1.281 50 0 biogenic,in-vitro BDAARM O=C1[N-]C(=O)/C(=C\c2ccc(Cl)s2)N1 ZINC000000073155 383822168 /nfs/dbraw/zinc/82/21/68/383822168.db2.gz SPFSMWGCTVRBCQ-HWKANZROSA-N -1 0 228.660 1.582 50 0 BDAARM O=C([O-])CCSC(=S)N1CCCC1 ZINC000000187671 383841482 /nfs/dbraw/zinc/84/14/82/383841482.db2.gz URZBSRHINJVZFL-UHFFFAOYSA-N -1 0 219.331 1.575 50 0 BDAARM CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000000189728 383841654 /nfs/dbraw/zinc/84/16/54/383841654.db2.gz HTWAFOFDKZAKQP-JTQLQIEISA-N -1 0 207.229 1.339 50 0 BDAARM O=C([O-])c1c(Cl)cnc2c1OCCO2 ZINC000066054440 383843942 /nfs/dbraw/zinc/84/39/42/383843942.db2.gz FWDUNOBUPRBJMW-UHFFFAOYSA-N -1 0 215.592 1.204 50 0 BDAARM O=C([O-])CSC(=S)N1CCCC1 ZINC000000292095 383850011 /nfs/dbraw/zinc/85/00/11/383850011.db2.gz IHGSPAKPEOTIGY-UHFFFAOYSA-N -1 0 205.304 1.185 50 0 BDAARM Cc1nnc(NC(=O)CCCC(=O)[O-])s1 ZINC000000297379 383853634 /nfs/dbraw/zinc/85/36/34/383853634.db2.gz XNNFCSWDIJEHEE-UHFFFAOYSA-N -1 0 229.261 1.040 50 0 BDAARM CC(=O)N(c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000000337874 383856599 /nfs/dbraw/zinc/85/65/99/383856599.db2.gz OGRDVTGIBRIYAG-QMMMGPOBSA-N -1 0 207.229 1.513 50 0 BDAARM O=C([O-])C1(c2ccc(Cl)cc2)CC(O)C1 ZINC000066327972 383857522 /nfs/dbraw/zinc/85/75/22/383857522.db2.gz PQVUQOBVSQOFKH-UHFFFAOYSA-N -1 0 226.659 1.817 50 0 BDAARM CC(C)(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000000389799 383861719 /nfs/dbraw/zinc/86/17/19/383861719.db2.gz QKVCSJBBYNYZNM-UHFFFAOYSA-N -1 0 237.255 1.776 50 0 BDAARM O=Cc1cccn1-c1cccc(C(=O)[O-])c1 ZINC000000468126 383868545 /nfs/dbraw/zinc/86/85/45/383868545.db2.gz XBIODRDXFUJXFH-UHFFFAOYSA-N -1 0 215.208 1.988 50 0 BDAARM Cn1nccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000000153151 383833161 /nfs/dbraw/zinc/83/31/61/383833161.db2.gz QTBBVCSYFYNYIK-UHFFFAOYSA-N -1 0 239.275 1.250 50 0 BDAARM CCc1cc(C)c(C(=O)NC2(C(=O)[O-])CC2)o1 ZINC000237125954 383917017 /nfs/dbraw/zinc/91/70/17/383917017.db2.gz OOVZPAGFYZLJQE-UHFFFAOYSA-N -1 0 237.255 1.497 50 0 BDAARM O=C([O-])COc1ccc(F)cc1Cl ZINC000001706134 383925396 /nfs/dbraw/zinc/92/53/96/383925396.db2.gz ZCRBVVKRZYTNFM-UHFFFAOYSA-N -1 0 204.584 1.943 50 0 BDAARM O=C([O-])CC1CN(C(=O)OCc2ccccc2)C1 ZINC000002577455 383978636 /nfs/dbraw/zinc/97/86/36/383978636.db2.gz LSAPQRPYEJIJAG-UHFFFAOYSA-N -1 0 249.266 1.730 50 0 BDAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003208085 384003153 /nfs/dbraw/zinc/00/31/53/384003153.db2.gz SKWDIXBVQATQSG-UHFFFAOYSA-N -1 0 234.660 1.442 50 0 BDAARM O=C([O-])Cn1cc(Br)c(C2CC2)n1 ZINC000002538713 383973527 /nfs/dbraw/zinc/97/35/27/383973527.db2.gz DLIOLRMWZAEYPN-UHFFFAOYSA-N -1 0 245.076 1.608 50 0 in-vitro BDAARM O=C([O-])C[C@H]1COCCN1Cc1ccsc1 ZINC000072167363 384016984 /nfs/dbraw/zinc/01/69/84/384016984.db2.gz LNIRMTLLAVQUMT-JTQLQIEISA-N -1 0 241.312 1.424 50 0 BDAARM O=C([O-])Cc1ccc(NC(=O)C2CC2)cc1 ZINC000004833752 384083042 /nfs/dbraw/zinc/08/30/42/384083042.db2.gz BVWJWGOECZCPCT-UHFFFAOYSA-N -1 0 219.240 1.662 50 0 BDAARM COC(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000091304918 384118928 /nfs/dbraw/zinc/11/89/28/384118928.db2.gz YKJINKFEYMPBMG-UHFFFAOYSA-N -1 0 224.212 1.327 50 0 BDAARM O=C([O-])c1cnc(Oc2ccccc2)cn1 ZINC000070582533 384121349 /nfs/dbraw/zinc/12/13/49/384121349.db2.gz NPQJUGUURXSTII-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cccnc1 ZINC000040162932 384128259 /nfs/dbraw/zinc/12/82/59/384128259.db2.gz AWUYFGAFMDHVRA-PWSUYJOCSA-N -1 0 248.282 1.464 50 0 biogenic BDAARM CC(C)[C@@H]1NC(=O)N[C@@H](CC(=O)[O-])C1(C)C ZINC000005847224 384132515 /nfs/dbraw/zinc/13/25/15/384132515.db2.gz ZBAUWHVYDITMCK-CBAPKCEASA-N -1 0 228.292 1.193 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccccn1 ZINC000155798632 384144049 /nfs/dbraw/zinc/14/40/49/384144049.db2.gz XZTGJZCISWJNEJ-LLVKDONJSA-N -1 0 248.282 1.090 50 0 BDAARM O=C([O-])C1(COc2ccc(F)cc2)COC1 ZINC000071654945 384172913 /nfs/dbraw/zinc/17/29/13/384172913.db2.gz TWWICOGFXQOMSW-UHFFFAOYSA-N -1 0 226.203 1.306 50 0 BDAARM Cc1nc(Br)ccc1C(=O)[O-] ZINC000072223991 384202706 /nfs/dbraw/zinc/20/27/06/384202706.db2.gz QAZCHXJCZPUESJ-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM O=C([O-])Cn1cc(CO)c2ccccc21 ZINC000008701693 384210027 /nfs/dbraw/zinc/21/00/27/384210027.db2.gz AMSYOAKLJWWMGG-UHFFFAOYSA-N -1 0 205.213 1.218 50 0 BDAARM CCCc1cc(=O)n(-c2nc3ccccc3[nH]2)[n-]1 ZINC000097589969 384240400 /nfs/dbraw/zinc/24/04/00/384240400.db2.gz XVSRQNIKOSHNJN-UHFFFAOYSA-N -1 0 242.282 1.994 50 0 BDAARM O=C([O-])c1cc2n[nH]nc2c(Br)c1 ZINC000073633899 384259017 /nfs/dbraw/zinc/25/90/17/384259017.db2.gz YPEXABMLBITRHQ-UHFFFAOYSA-N -1 0 242.032 1.419 50 0 BDAARM Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)[O-] ZINC000012505394 384322329 /nfs/dbraw/zinc/32/23/29/384322329.db2.gz PNZJOOFYNBPDNM-POHAHGRESA-N -1 0 248.217 1.203 50 0 BDAARM CCc1nsc(N(C)[C@H](C)C(=O)[O-])n1 ZINC000083650774 384318380 /nfs/dbraw/zinc/31/83/80/384318380.db2.gz MIGRVPFJEBVDME-RXMQYKEDSA-N -1 0 215.278 1.010 50 0 BDAARM Cn1nc(C(F)F)c(C(=O)[O-])c1Cl ZINC000044831823 384361697 /nfs/dbraw/zinc/36/16/97/384361697.db2.gz VXTQDSCLSCPLPV-UHFFFAOYSA-N -1 0 210.567 1.709 50 0 BDAARM Nc1nnc(SCCCC(=O)[O-])s1 ZINC000013609307 384365442 /nfs/dbraw/zinc/36/54/42/384365442.db2.gz GGFCLNRPRADHAI-UHFFFAOYSA-N -1 0 219.291 1.077 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(OCc2ccccc2)C1 ZINC000095348061 384371251 /nfs/dbraw/zinc/37/12/51/384371251.db2.gz WDFHLEMSQSCONQ-JTQLQIEISA-N -1 0 235.239 1.051 50 0 BDAARM O=C([O-])c1ccc(Cn2ccccc2=O)o1 ZINC000012505422 384323231 /nfs/dbraw/zinc/32/32/31/384323231.db2.gz BMWUBMWNKZHABU-UHFFFAOYSA-N -1 0 219.196 1.188 50 0 BDAARM O=C([O-])CCCNC(=O)c1ccsc1 ZINC000012504849 384323501 /nfs/dbraw/zinc/32/35/01/384323501.db2.gz KQOPIDYJJRHATP-UHFFFAOYSA-N -1 0 213.258 1.343 50 0 BDAARM CC[C@@H](C)[C@@H](C)C(=O)Nc1nc(OC)n[nH]1 ZINC000097079778 384323942 /nfs/dbraw/zinc/32/39/42/384323942.db2.gz UCPMDNYUOVGZEZ-RNFRBKRXSA-N -1 0 226.280 1.434 50 0 BDAARM CC(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC000014504689 384393129 /nfs/dbraw/zinc/39/31/29/384393129.db2.gz VLUWDAHVYCOUSR-SNVBAGLBSA-N -1 0 208.213 1.245 50 0 BDAARM Cn1nc(-c2ccccc2)nc1C(=O)[O-] ZINC000095935222 384414279 /nfs/dbraw/zinc/41/42/79/384414279.db2.gz BTONEZRMSCZUDO-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM Cc1ccc(F)cc1C(=O)NCCCC(=O)[O-] ZINC000059880661 384377336 /nfs/dbraw/zinc/37/73/36/384377336.db2.gz XNUFGRSEMVHKOS-UHFFFAOYSA-N -1 0 239.246 1.729 50 0 BDAARM O=C([O-])C1(c2ccnc(Br)c2)CC1 ZINC000095642370 384385391 /nfs/dbraw/zinc/38/53/91/384385391.db2.gz IPHJRNBPNWSYIK-UHFFFAOYSA-N -1 0 242.072 1.960 50 0 BDAARM O=C([O-])CCc1nnc(-c2ccc(F)cc2)o1 ZINC000019780311 384536744 /nfs/dbraw/zinc/53/67/44/384536744.db2.gz PPQGKBCCPSSJQP-UHFFFAOYSA-N -1 0 236.202 1.893 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1Cc2ccccc2C1 ZINC000050911339 384530789 /nfs/dbraw/zinc/53/07/89/384530789.db2.gz FECVBULPMRJBKV-MNOVXSKESA-N -1 0 231.251 1.250 50 0 BDAARM CCCCOCCCNC(=O)CCCC(=O)[O-] ZINC000019907580 384556187 /nfs/dbraw/zinc/55/61/87/384556187.db2.gz AMBICLDXBBADLX-UHFFFAOYSA-N -1 0 245.319 1.564 50 0 BDAARM Cc1nnc([C@H](CC(=O)[O-])c2ccccc2)o1 ZINC000019784242 384537909 /nfs/dbraw/zinc/53/79/09/384537909.db2.gz NVOUSJGEBADXGD-SNVBAGLBSA-N -1 0 232.239 1.985 50 0 BDAARM COC(=O)C1(C)CCC(C(=O)[O-])CC1 ZINC000098210624 384605612 /nfs/dbraw/zinc/60/56/12/384605612.db2.gz CMSGDCCPUJIGNT-UHFFFAOYSA-N -1 0 200.234 1.441 50 0 BDAARM CC1(C)CC(=O)C(=C([O-])C(F)(F)F)C(=O)C1 ZINC000100037944 384610749 /nfs/dbraw/zinc/61/07/49/384610749.db2.gz JJHINZWDUKGUIS-UHFFFAOYSA-N -1 0 236.189 1.692 50 0 BDAARM CC(C)(C)n1cnnc1SCC(=O)[O-] ZINC000020583699 384624128 /nfs/dbraw/zinc/62/41/28/384624128.db2.gz CZNXWUJWDDFHEW-UHFFFAOYSA-N -1 0 215.278 1.210 50 0 BDAARM O=Cc1ccc([O-])cc1I ZINC000082046625 384644253 /nfs/dbraw/zinc/64/42/53/384644253.db2.gz FSNWAMYECSEIEX-UHFFFAOYSA-N -1 0 248.019 1.809 50 0 BDAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1C ZINC000100726858 384651212 /nfs/dbraw/zinc/65/12/12/384651212.db2.gz LDSROQBGYDCGCC-UHFFFAOYSA-N -1 0 232.165 1.053 50 0 BDAARM Cc1cc(C)cc(-n2ncc(C(=O)[O-])n2)c1 ZINC000051174642 384658018 /nfs/dbraw/zinc/65/80/18/384658018.db2.gz OEANOGVVKXTJBZ-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM CC(=O)N(C)c1ccc(C)cc1C(=O)[O-] ZINC000016623629 384700510 /nfs/dbraw/zinc/70/05/10/384700510.db2.gz ILDFIRWXTXROKG-UHFFFAOYSA-N -1 0 207.229 1.676 50 0 BDAARM COc1cc(C(=O)[O-])ccc1-n1cnc(C)c1 ZINC000082656776 384700899 /nfs/dbraw/zinc/70/08/99/384700899.db2.gz QUAJYVPPQOVWQY-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM O=C([O-])[C@H]1C(=O)NC[C@@H]1C1CCCCC1 ZINC000082953228 384730798 /nfs/dbraw/zinc/73/07/98/384730798.db2.gz IYNGVJHNUWGREC-RKDXNWHRSA-N -1 0 211.261 1.014 50 0 BDAARM CCCCNC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000022177681 384742575 /nfs/dbraw/zinc/74/25/75/384742575.db2.gz HRKLSHUDAVSSRE-UHFFFAOYSA-N -1 0 242.319 1.873 50 0 BDAARM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCOC1 ZINC000053200336 384772839 /nfs/dbraw/zinc/77/28/39/384772839.db2.gz BOZLRNFODRNKHI-JTQLQIEISA-N -1 0 249.266 1.289 50 0 BDAARM CC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000139841196 384838209 /nfs/dbraw/zinc/83/82/09/384838209.db2.gz QUJJZDFGKLKCJR-HQJQHLMTSA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])CSc1ncnc2ncccc21 ZINC000026420258 384873750 /nfs/dbraw/zinc/87/37/50/384873750.db2.gz XMDPQSNDCYOIQO-UHFFFAOYSA-N -1 0 221.241 1.202 50 0 BDAARM O=C([O-])[C@H](O)Cc1cccc2ccccc21 ZINC000084379254 384862260 /nfs/dbraw/zinc/86/22/60/384862260.db2.gz OLGKAGFGKUUJIO-GFCCVEGCSA-N -1 0 216.236 1.828 50 0 BDAARM CCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004164442 384927275 /nfs/dbraw/zinc/92/72/75/384927275.db2.gz KHDUOMPZLGJNQN-RCWTZXSCSA-N -1 0 237.299 1.426 50 0 BDAARM COC(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000057218588 384932687 /nfs/dbraw/zinc/93/26/87/384932687.db2.gz SLJTZTNLUWMGGP-UHFFFAOYSA-N -1 0 246.222 1.357 50 0 BDAARM O=C([O-])CNC(=O)CC/C=C/c1ccccc1 ZINC000096479626 384943908 /nfs/dbraw/zinc/94/39/08/384943908.db2.gz NXOSLXZHLXTMBO-XBXARRHUSA-N -1 0 233.267 1.681 50 0 BDAARM O=C([O-])[C@H]1CCOc2cc(O)c(Cl)cc21 ZINC000086029468 384980347 /nfs/dbraw/zinc/98/03/47/384980347.db2.gz ZBWHVZZJKGPNDS-YFKPBYRVSA-N -1 0 228.631 1.996 50 0 BDAARM O=C([O-])CCCNC(=O)[C@@H]1COc2ccccc21 ZINC000070390062 384994047 /nfs/dbraw/zinc/99/40/47/384994047.db2.gz MGHSAVWWPAQIAX-SNVBAGLBSA-N -1 0 249.266 1.144 50 0 BDAARM CC(C)(C)OC(=O)N1CC(F)(C(=O)[O-])C1 ZINC000059243875 385042640 /nfs/dbraw/zinc/04/26/40/385042640.db2.gz FJLIZBBURXQODR-UHFFFAOYSA-N -1 0 219.212 1.030 50 0 BDAARM Cc1ccc(S(=O)(=O)/C=C\C(=O)[O-])cc1 ZINC000005443338 385103787 /nfs/dbraw/zinc/10/37/87/385103787.db2.gz MXTRJSXCQMVPSG-SREVYHEPSA-N -1 0 226.253 1.367 50 0 BDAARM O=C([O-])c1coc(Sc2ncccn2)n1 ZINC000165928705 385207643 /nfs/dbraw/zinc/20/76/43/385207643.db2.gz GVGXWWFWYRDLCA-UHFFFAOYSA-N -1 0 223.213 1.314 50 0 BDAARM Cc1cc(C(=O)[O-])c(S(C)(=O)=O)s1 ZINC000000042385 385279634 /nfs/dbraw/zinc/27/96/34/385279634.db2.gz DSGQILVAIIURPV-UHFFFAOYSA-N -1 0 220.271 1.158 50 0 BDAARM CC1(C)C(=O)Nc2ccc(C(=O)[O-])cc21 ZINC000034462531 385281168 /nfs/dbraw/zinc/28/11/68/385281168.db2.gz CYOJGCZECBHBRW-UHFFFAOYSA-N -1 0 205.213 1.615 50 0 BDAARM CC(C)[C@H](NC(=O)NCc1ccco1)C(=O)[O-] ZINC000000541550 385485125 /nfs/dbraw/zinc/48/51/25/385485125.db2.gz UVBFLUDAJROYHV-VIFPVBQESA-N -1 0 240.259 1.188 50 0 BDAARM O=C([O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004312750 385569280 /nfs/dbraw/zinc/56/92/80/385569280.db2.gz OJNUJHKAPNSODC-UHFFFAOYSA-N -1 0 233.145 1.729 50 0 BDAARM Cc1ccc(NC(=O)c2n[n-][nH]c2=S)cc1 ZINC000006009328 385654900 /nfs/dbraw/zinc/65/49/00/385654900.db2.gz UDIGGFNRJWIGDI-UHFFFAOYSA-N -1 0 234.284 1.654 50 0 BDAARM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000095961748 385859120 /nfs/dbraw/zinc/85/91/20/385859120.db2.gz JZOICXDVPSBVFI-MWLCHTKSSA-N -1 0 248.282 1.373 50 0 BDAARM O=C([O-])CNc1c(F)c(F)nc(F)c1F ZINC000001240872 386013777 /nfs/dbraw/zinc/01/37/77/386013777.db2.gz FUWFWRZYRSJUOV-UHFFFAOYSA-N -1 0 224.113 1.135 50 0 BDAARM O=C([O-])c1cnc2cc(Br)ccn12 ZINC000089202138 386315861 /nfs/dbraw/zinc/31/58/61/386315861.db2.gz NNBDKJHKUYMGLT-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM COC[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237234707 386367478 /nfs/dbraw/zinc/36/74/78/386367478.db2.gz VXNLYHAKPJUDBG-QMMMGPOBSA-N -1 0 237.255 1.606 50 0 BDAARM COc1cc(O)c(C(C)=O)c(CC(=O)[O-])c1 ZINC000013660265 386711802 /nfs/dbraw/zinc/71/18/02/386711802.db2.gz UYUOIPIOTPMHKV-UHFFFAOYSA-N -1 0 224.212 1.231 50 0 biogenic,in-vitro BDAARM c1n[n-]c(=Nc2cccnc2)n1C[C@@H]1CCCO1 ZINC000333129349 387017799 /nfs/dbraw/zinc/01/77/99/387017799.db2.gz ASEGDRQVHJEAMG-NSHDSACASA-N -1 0 245.286 1.018 50 0 BDAARM CC(C)[C@H](O)C(=O)Nc1ccc(O)cc1F ZINC000336319270 387142883 /nfs/dbraw/zinc/14/28/83/387142883.db2.gz BMMRMOQSZVQSSW-JTQLQIEISA-N -1 0 227.235 1.487 50 0 BDAARM O=C([O-])CCCCCCCC[C@@H](O)CO ZINC000003137039 387248761 /nfs/dbraw/zinc/24/87/61/387248761.db2.gz GJGWHVLBZGTEAV-SNVBAGLBSA-N -1 0 218.293 1.545 50 0 BDAARM COC(=O)[C@@H]1CC=C[C@@H](C)[C@@]1(C)C(=O)[O-] ZINC000101037204 387298371 /nfs/dbraw/zinc/29/83/71/387298371.db2.gz MHHVBCDDBZTFFN-VHSKPIJISA-N -1 0 212.245 1.463 50 0 BDAARM CCSc1nnc([N-]S(C)(=O)=O)s1 ZINC000075259711 387422363 /nfs/dbraw/zinc/42/23/63/387422363.db2.gz VYBQOPIJPJTSJY-UHFFFAOYSA-N -1 0 239.347 1.022 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1C ZINC000123798995 387476461 /nfs/dbraw/zinc/47/64/61/387476461.db2.gz RQWZKMWZZVGNCL-VAOFZXAKSA-N -1 0 213.277 1.402 50 0 BDAARM CSCCC(=O)N1[C@@H](C)CCC[C@H]1C(=O)[O-] ZINC000001793550 387793772 /nfs/dbraw/zinc/79/37/72/387793772.db2.gz OZALSLNPMJFRGI-IUCAKERBSA-N -1 0 245.344 1.594 50 0 BDAARM Nc1cc(C(F)(F)F)cnc1CC(=O)[O-] ZINC000238617366 387885841 /nfs/dbraw/zinc/88/58/41/387885841.db2.gz CZOVJUCUNUMWSR-UHFFFAOYSA-N -1 0 220.150 1.310 50 0 BDAARM Cc1cc(-n2cc(C(=O)[O-])nn2)ccc1F ZINC000057352132 388357819 /nfs/dbraw/zinc/35/78/19/388357819.db2.gz ZDINNHPSYJQXKU-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM CC1(C)[C@H](C(=O)Nc2cccnc2)[C@@H]1C(=O)[O-] ZINC000071280401 388443748 /nfs/dbraw/zinc/44/37/48/388443748.db2.gz GISIRJNNDCHWTO-DTWKUNHWSA-N -1 0 234.255 1.377 50 0 BDAARM COc1c(C)c(C(=O)[O-])nn1-c1ccccc1 ZINC000096517729 388684159 /nfs/dbraw/zinc/68/41/59/388684159.db2.gz VIRHCIBCQSWPPE-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM CCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000252584753 388646317 /nfs/dbraw/zinc/64/63/17/388646317.db2.gz COYXTDZYVGDKHY-AEJSXWLSSA-N -1 0 225.288 1.402 50 0 BDAARM CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)[O-] ZINC000399707743 388702818 /nfs/dbraw/zinc/70/28/18/388702818.db2.gz ZYCAMZDTVLPQME-RKDXNWHRSA-N -1 0 224.260 1.455 50 0 BDAARM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000095961810 388796300 /nfs/dbraw/zinc/79/63/00/388796300.db2.gz VRDAPWUWOORNQN-NWDGAFQWSA-N -1 0 247.294 1.978 50 0 BDAARM CC(C)C(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000095424510 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BDAARM COc1ccc2nc(C(=O)[O-])cc(OC)c2c1 ZINC000071775330 175228037 /nfs/dbraw/zinc/22/80/37/175228037.db2.gz LAUODWAMPIXMAA-UHFFFAOYSA-N -1 0 233.223 1.950 50 0 BDAARM COc1cccc(C(F)(F)C(=O)[O-])n1 ZINC000040447934 175247270 /nfs/dbraw/zinc/24/72/70/175247270.db2.gz MIDCMWMUUZNNIQ-UHFFFAOYSA-N -1 0 203.144 1.267 50 0 BDAARM COc1cccc(C=O)c1O[C@H](C)C(=O)[O-] ZINC000006007867 175249143 /nfs/dbraw/zinc/24/91/43/175249143.db2.gz DXXCAUDRFSLKGO-SSDOTTSWSA-N -1 0 224.212 1.360 50 0 BDAARM COc1cccc(C=O)c1O[C@@H](C)C(=O)[O-] ZINC000006007557 175249204 /nfs/dbraw/zinc/24/92/04/175249204.db2.gz DXXCAUDRFSLKGO-ZETCQYMHSA-N -1 0 224.212 1.360 50 0 BDAARM COc1cccc(CO[C@@H](C)C(=O)[O-])c1 ZINC000019471992 175269390 /nfs/dbraw/zinc/26/93/90/175269390.db2.gz XWFWSKGMKJMPHJ-QMMMGPOBSA-N -1 0 210.229 1.685 50 0 BDAARM COc1cccc(Cl)c1CC(=O)[O-] ZINC000088190193 175273447 /nfs/dbraw/zinc/27/34/47/175273447.db2.gz DVHQMZULSWDQIF-UHFFFAOYSA-N -1 0 200.621 1.976 50 0 BDAARM COc1ccccc1C[P@@](=O)([O-])O ZINC000071773435 175331868 /nfs/dbraw/zinc/33/18/68/175331868.db2.gz UCXRYXBQDSFGJG-UHFFFAOYSA-N -1 0 202.146 1.373 50 0 BDAARM COc1ccccc1N(C)CCC(=O)[O-] ZINC000014001739 175336245 /nfs/dbraw/zinc/33/62/45/175336245.db2.gz VXODFOLLHCJVTR-UHFFFAOYSA-N -1 0 209.245 1.606 50 0 BDAARM CSc1ncc(C(=O)[O-])c(SC)n1 ZINC000001676873 175589721 /nfs/dbraw/zinc/58/97/21/175589721.db2.gz ODSORSOVOMCEHN-UHFFFAOYSA-N -1 0 216.287 1.619 50 0 BDAARM C[C@@H](C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000020223615 175625996 /nfs/dbraw/zinc/62/59/96/175625996.db2.gz MONMTZLCRRBKIN-LURJTMIESA-N -1 0 232.232 1.073 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccn1 ZINC000000544777 175643343 /nfs/dbraw/zinc/64/33/43/175643343.db2.gz WQFKTTDNNPCYLC-MRVPVSSYSA-N -1 0 222.244 1.521 50 0 BDAARM C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)[O-] ZINC000004728586 176022622 /nfs/dbraw/zinc/02/26/22/176022622.db2.gz FDXVETHETURZLC-WPRPVWTQSA-N -1 0 222.240 1.966 50 0 BDAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000004728584 176022979 /nfs/dbraw/zinc/02/29/79/176022979.db2.gz FDXVETHETURZLC-WCBMZHEXSA-N -1 0 222.240 1.966 50 0 BDAARM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000039941246 177151392 /nfs/dbraw/zinc/15/13/92/177151392.db2.gz IFPZGYNNPYYDGA-IUCAKERBSA-N -1 0 243.303 1.964 50 0 BDAARM C[C@H]1CCc2c(cnc3c(C(=O)[O-])cnn32)C1 ZINC000020864525 177209667 /nfs/dbraw/zinc/20/96/67/177209667.db2.gz ARKOPPKVXDNAJQ-ZETCQYMHSA-N -1 0 231.255 1.552 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000050194905 177340582 /nfs/dbraw/zinc/34/05/82/177340582.db2.gz WUQFUPFWBVBGMC-YUMQZZPRSA-N -1 0 213.277 1.402 50 0 BDAARM C[C@H]1C[C@H]1CNS(=O)(=O)c1cccs1 ZINC000032473111 177381549 /nfs/dbraw/zinc/38/15/49/177381549.db2.gz IFKRFKMZFJWCFN-YUMQZZPRSA-N -1 0 231.342 1.682 50 0 BDAARM C[C@H]1C[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000097036705 177382672 /nfs/dbraw/zinc/38/26/72/177382672.db2.gz NZUZZTOOBFSNBL-JOYOIKCWSA-N -1 0 247.294 1.842 50 0 BDAARM Cc1c(CC(=O)[O-])nnn1-c1ccccc1 ZINC000011888152 177580175 /nfs/dbraw/zinc/58/01/75/177580175.db2.gz KUVPLFJZMWEDDF-UHFFFAOYSA-N -1 0 217.228 1.203 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000128594586 322961724 /nfs/dbraw/zinc/96/17/24/322961724.db2.gz KLWLTLSVYMVIRW-VWYCJHECSA-N -1 0 237.299 1.498 50 0 BDAARM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000257684427 323172548 /nfs/dbraw/zinc/17/25/48/323172548.db2.gz RBJRKUDYIFAWSW-LLVKDONJSA-N -1 0 237.303 1.629 50 0 BDAARM O=C([O-])CCCC(=O)NCCC1(O)CCCC1 ZINC000403112198 323172620 /nfs/dbraw/zinc/17/26/20/323172620.db2.gz IGCNZJBCFOYUNW-UHFFFAOYSA-N -1 0 243.303 1.053 50 0 BDAARM C/C=C/C=C/C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000085006603 488121588 /nfs/dbraw/zinc/12/15/88/488121588.db2.gz FAEVXYYRZQPSAM-HRDPMWFNSA-N -1 0 223.272 1.488 50 0 BDAARM CC1(C)CO[C@H](c2ccccc2)CN1CC(=O)[O-] ZINC000236645348 520512810 /nfs/dbraw/zinc/51/28/10/520512810.db2.gz LKFAZHXPLXATGN-LBPRGKRZSA-N -1 0 249.310 1.923 50 0 BDAARM CC1(C)Oc2ccccc2N(CCC(=O)[O-])C1=O ZINC000020393208 535007973 /nfs/dbraw/zinc/00/79/73/535007973.db2.gz CNLHKDHKRCZWRP-UHFFFAOYSA-N -1 0 249.266 1.665 50 0 BDAARM O=[S@@]([O-])c1ccc2c(c1)OCCCO2 ZINC000082533937 566409505 /nfs/dbraw/zinc/40/95/05/566409505.db2.gz QEQCXDNNPYYRTA-UHFFFAOYSA-N -1 0 214.242 1.429 50 0 BDAARM CCOc1nc(N[C@H](C)C(=O)[O-])ncc1Cl ZINC000864096827 589344858 /nfs/dbraw/zinc/34/48/58/589344858.db2.gz JOBVYKQASONUJZ-RXMQYKEDSA-N -1 0 245.666 1.414 50 0 BDAARM O=C([O-])[C@@H]1C(=O)CC(=O)C[C@H]1c1ccccc1 ZINC000019947260 633804000 /nfs/dbraw/zinc/80/40/00/633804000.db2.gz HTQUUUMPKJSRDL-JQWIXIFHSA-N -1 0 232.235 1.403 50 0 BDAARM O=C([O-])C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000036893461 642427577 /nfs/dbraw/zinc/42/75/77/642427577.db2.gz XJFMJJZJSWBNOC-UHFFFAOYSA-N -1 0 234.129 1.853 50 0 BDAARM Cn1ncc(C(=O)c2ccccc2)c1C(=O)[O-] ZINC000000225505 642760168 /nfs/dbraw/zinc/76/01/68/642760168.db2.gz PAFHLKNAWYOXRB-UHFFFAOYSA-N -1 0 230.223 1.349 50 0 BDAARM O=C([O-])[C@@H]1COc2c(F)cc(F)cc2C1 ZINC000082966898 644397039 /nfs/dbraw/zinc/39/70/39/644397039.db2.gz ARCSVLRWXYYGNH-LURJTMIESA-N -1 0 214.167 1.601 50 0 BDAARM C/C=C(/C)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000095989409 644785707 /nfs/dbraw/zinc/78/57/07/644785707.db2.gz IFECASWTFYTZCN-BAQGIRSFSA-N -1 0 211.261 1.276 50 0 BDAARM COC(=O)[C@H]1CCN1c1ccc(C(=O)[O-])s1 ZINC000725345201 711664276 /nfs/dbraw/zinc/66/42/76/711664276.db2.gz INHKEEQOPOBADE-ZCFIWIBFSA-N -1 0 241.268 1.198 50 0 BDAARM Cc1ccc(C)c(-c2nc(C(=O)[O-])nn2C)c1 ZINC001506415135 988778770 /nfs/dbraw/zinc/77/87/70/988778770.db2.gz LWCHOZUODVJUMX-UHFFFAOYSA-N -1 0 231.255 1.797 50 0 BDAARM Cc1ccc(OC2CN(CCCC(=O)[O-])C2)cc1 ZINC001529153273 990333635 /nfs/dbraw/zinc/33/36/35/990333635.db2.gz AJECHTCDRFASEM-UHFFFAOYSA-N -1 0 249.310 1.923 50 0 BDAARM CCC(CC)(CNC(=O)C1CC=CC1)C(=O)[O-] ZINC000137641453 168324668 /nfs/dbraw/zinc/32/46/68/168324668.db2.gz CSVQCXJCDTYZDD-UHFFFAOYSA-N -1 0 239.315 1.960 50 0 BDAARM C/C=C(\C)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000222162362 192026861 /nfs/dbraw/zinc/02/68/61/192026861.db2.gz LKJKPFIHMWDOOG-XKEGTWDPSA-N -1 0 211.261 1.322 50 0 BDAARM Cc1cc(OCC(=O)[O-])c2c(C)cc(=O)oc2c1 ZINC000000533506 178209572 /nfs/dbraw/zinc/20/95/72/178209572.db2.gz KULJTNRHGAFYKM-UHFFFAOYSA-N -1 0 248.234 1.873 50 0 biogenic BDAARM Cc1cc(OCCCC[S@](=O)[O-])ccc1N ZINC000019911640 178211617 /nfs/dbraw/zinc/21/16/17/178211617.db2.gz QGCKAQBMIYMTGO-UHFFFAOYSA-N -1 0 243.328 1.958 50 0 BDAARM COC(=O)CCc1ccccc1C(=O)[O-] ZINC000036438807 343991585 /nfs/dbraw/zinc/99/15/85/343991585.db2.gz MNTPADVVQJCTIF-UHFFFAOYSA-N -1 0 208.213 1.490 50 0 BDAARM Cc1cc2ccccc2n1CC(=O)NCC(=O)[O-] ZINC000037433422 178297989 /nfs/dbraw/zinc/29/79/89/178297989.db2.gz FAPPGOHYYOHVOK-UHFFFAOYSA-N -1 0 246.266 1.151 50 0 BDAARM Cc1cc2nc(S(=O)(=O)[O-])[nH]c2cc1C ZINC000005379690 178302021 /nfs/dbraw/zinc/30/20/21/178302021.db2.gz JFIQLOGXNUXRCY-UHFFFAOYSA-N -1 0 226.257 1.426 50 0 BDAARM Cc1ccc(-n2cc(C(=O)[O-])nn2)cc1C ZINC000015829234 178346152 /nfs/dbraw/zinc/34/61/52/178346152.db2.gz YEPYSFZVSIZCKJ-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000022219343 178388516 /nfs/dbraw/zinc/38/85/16/178388516.db2.gz AUWKHJYYHBRALA-SNVBAGLBSA-N -1 0 234.255 1.079 50 0 BDAARM CCOC(=O)c1ccc([S@](=O)[O-])cc1 ZINC000034466654 538954393 /nfs/dbraw/zinc/95/43/93/538954393.db2.gz XHUBUXUUHKUCCC-UHFFFAOYSA-N -1 0 214.242 1.444 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2cccc(F)c2)N1 ZINC000000077889 342672983 /nfs/dbraw/zinc/67/29/83/342672983.db2.gz ZCIDMBKXEBMSLH-DTWKUNHWSA-N -1 0 227.260 1.614 50 0 BDAARM Cc1ccsc1[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000000082616 342673222 /nfs/dbraw/zinc/67/32/22/342673222.db2.gz DLPBHIQCNCYXEB-POYBYMJQSA-N -1 0 229.326 1.845 50 0 BDAARM CC[C@H]1Oc2ccccc2C(=O)[N-]C1=O ZINC000000134959 342676317 /nfs/dbraw/zinc/67/63/17/342676317.db2.gz FOYZYIYDHVWEDP-MRVPVSSYSA-N -1 0 205.213 1.114 50 0 BDAARM O=C([O-])c1nccnc1C(=O)Nc1ccccc1 ZINC000000147572 342677036 /nfs/dbraw/zinc/67/70/36/342677036.db2.gz XJKPOZAGQSHUST-UHFFFAOYSA-N -1 0 243.222 1.427 50 0 BDAARM O=C([O-])c1cccn(Cc2ccccc2)c1=O ZINC000000169396 342678952 /nfs/dbraw/zinc/67/89/52/342678952.db2.gz JMUXBAQFXTYJBB-UHFFFAOYSA-N -1 0 229.235 1.595 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)N1Cc1ccc(F)cc1 ZINC000000266786 342681718 /nfs/dbraw/zinc/68/17/18/342681718.db2.gz HVGUBDIPIWRNTI-SNVBAGLBSA-N -1 0 237.230 1.401 50 0 biogenic BDAARM Cc1cc(C)nc(S[C@H](C)C(=O)[O-])n1 ZINC000000304741 342682853 /nfs/dbraw/zinc/68/28/53/342682853.db2.gz OFYICVNRPJIHRH-SSDOTTSWSA-N -1 0 212.274 1.659 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccnc1 ZINC000000317340 342683309 /nfs/dbraw/zinc/68/33/09/342683309.db2.gz LXJRXEHUFVTCHA-QWRGUYRKSA-N -1 0 246.266 1.687 50 0 BDAARM O=C([O-])c1ccn(-c2cc(F)ccc2F)n1 ZINC000036666746 538960856 /nfs/dbraw/zinc/96/08/56/538960856.db2.gz GRRRYUJAKBASQS-UHFFFAOYSA-N -1 0 224.166 1.849 50 0 BDAARM Cc1ccc(NC(=O)CCC(=O)[O-])cc1F ZINC000000038656 342670754 /nfs/dbraw/zinc/67/07/54/342670754.db2.gz ORPQDVBNPDILBZ-UHFFFAOYSA-N -1 0 225.219 1.937 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2ccccc2)N1 ZINC000000040087 342670933 /nfs/dbraw/zinc/67/09/33/342670933.db2.gz AZDYQBFYMBALBY-RKDXNWHRSA-N -1 0 209.270 1.475 50 0 biogenic BDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000001081430 342697269 /nfs/dbraw/zinc/69/72/69/342697269.db2.gz SPPDKPRJPFTBEV-UHFFFAOYSA-N -1 0 245.275 1.145 50 0 BDAARM Cc1cc(/C=C/C(=O)[O-])c(C)n1-n1cnnc1 ZINC000001398877 342699983 /nfs/dbraw/zinc/69/99/83/342699983.db2.gz KSOIRGCEPQESSQ-ONEGZZNKSA-N -1 0 232.243 1.106 50 0 BDAARM CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001438781 342701165 /nfs/dbraw/zinc/70/11/65/342701165.db2.gz ZFKRSHTUEJDCLL-UHFFFAOYSA-N -1 0 229.257 1.146 50 0 BDAARM Nc1ccc(C(=O)[O-])cc1Br ZINC000001676251 342708231 /nfs/dbraw/zinc/70/82/31/342708231.db2.gz BFIVZIVVJNFTIQ-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 BDAARM Nc1cccc2ccc(S(=O)(=O)[O-])cc12 ZINC000001680644 342708770 /nfs/dbraw/zinc/70/87/70/342708770.db2.gz QEZZCWMQXHXAFG-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 BDAARM Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC000001686994 342709155 /nfs/dbraw/zinc/70/91/55/342709155.db2.gz GWIAAIUASRVOIA-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 in-vitro BDAARM Nc1c(Br)cccc1C(=O)[O-] ZINC000001703679 342710195 /nfs/dbraw/zinc/71/01/95/342710195.db2.gz SRIZNTFPBWRGPB-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 BDAARM Nc1cccc2c(S(=O)(=O)[O-])ccc(N)c12 ZINC000002266329 342717535 /nfs/dbraw/zinc/71/75/35/342717535.db2.gz DKIDDWUQCDKOEN-UHFFFAOYSA-N -1 0 238.268 1.251 50 0 BDAARM Cc1cc(C)n(Cc2ccc(C(=O)[O-])o2)n1 ZINC000004124661 342742868 /nfs/dbraw/zinc/74/28/68/342742868.db2.gz BPVDCRCAORFYHG-UHFFFAOYSA-N -1 0 220.228 1.839 50 0 BDAARM O=C([O-])c1ccc2[nH]c(CCCO)nc2c1 ZINC000004243820 342745461 /nfs/dbraw/zinc/74/54/61/342745461.db2.gz DRRLWQSRZYWEAF-UHFFFAOYSA-N -1 0 220.228 1.186 50 0 BDAARM C[C@@H](C(=O)[O-])n1ccc(C(F)(F)F)n1 ZINC000004294568 342746202 /nfs/dbraw/zinc/74/62/02/342746202.db2.gz ZCDVKVBJBHRXQO-BYPYZUCNSA-N -1 0 208.139 1.548 50 0 BDAARM O=C([O-])c1cnn(-c2ccc(F)cc2)c1 ZINC000004384277 342747368 /nfs/dbraw/zinc/74/73/68/342747368.db2.gz VHGLETHNIUVDGO-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM O=C([O-])[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000004504975 342748200 /nfs/dbraw/zinc/74/82/00/342748200.db2.gz XBABASIBBODKAE-SECBINFHSA-N -1 0 225.631 1.918 50 0 BDAARM Cn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC000002536606 342723089 /nfs/dbraw/zinc/72/30/89/342723089.db2.gz OKQVHUBAGISZHY-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM CCCn1c(=O)c2nn(CC)cc2[n-]c1=S ZINC000002537722 342723355 /nfs/dbraw/zinc/72/33/55/342723355.db2.gz GBDYECQZAUIRQH-UHFFFAOYSA-N -1 0 238.316 1.312 50 0 BDAARM CC(C)(C)OC(=O)NCCCCC(=O)[O-] ZINC000002554979 342723741 /nfs/dbraw/zinc/72/37/41/342723741.db2.gz GFMRZAMDGJIWRB-UHFFFAOYSA-N -1 0 217.265 1.766 50 0 BDAARM CCN(CC)C1(S(=O)(=O)[O-])CCCC1 ZINC000002577262 342725216 /nfs/dbraw/zinc/72/52/16/342725216.db2.gz OMWXARWENSNMSZ-UHFFFAOYSA-N -1 0 221.322 1.486 50 0 BDAARM COC(=O)C=C([O-])c1ccc2c(c1)OCO2 ZINC000002575891 342725257 /nfs/dbraw/zinc/72/52/57/342725257.db2.gz QYNFBQXZTZKAEB-UHFFFAOYSA-N -1 0 222.196 1.161 50 0 BDAARM CCc1c(=O)[nH]c2ccccc2c1C(=O)[O-] ZINC000002576245 342725294 /nfs/dbraw/zinc/72/52/94/342725294.db2.gz RDABDYFOWPWVIC-UHFFFAOYSA-N -1 0 217.224 1.789 50 0 BDAARM Cc1ccc2oc(=O)c(C=O)c([O-])c2c1 ZINC000002583691 342725852 /nfs/dbraw/zinc/72/58/52/342725852.db2.gz GNJLDOHIPVFYTM-UHFFFAOYSA-N -1 0 204.181 1.620 50 0 BDAARM O=C([O-])c1cn2cc(Br)ccc2n1 ZINC000003742146 342737453 /nfs/dbraw/zinc/73/74/53/342737453.db2.gz FQBFPVLZLNEQOE-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM Cn1c(CCCC(=O)[O-])nc2cc(N)ccc21 ZINC000004903067 342754187 /nfs/dbraw/zinc/75/41/87/342754187.db2.gz OLZMGZSRWXDGRO-UHFFFAOYSA-N -1 0 233.271 1.563 50 0 BDAARM CC(=O)CC(=O)Nc1ccc([S-])cc1 ZINC000005495272 342764808 /nfs/dbraw/zinc/76/48/08/342764808.db2.gz HTQZEEDISOMEAC-UHFFFAOYSA-N -1 0 209.270 1.893 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccccc1 ZINC000005919463 342771460 /nfs/dbraw/zinc/77/14/60/342771460.db2.gz ALSCTJBRKVCRAF-QMMMGPOBSA-N -1 0 222.244 1.671 50 0 BDAARM O=C1NC(=O)[C@]2(CCCCc3ccccc32)N1 ZINC000007784443 342793483 /nfs/dbraw/zinc/79/34/83/342793483.db2.gz BCSYSQVTCKMBMK-CYBMUJFWSA-N -1 0 230.267 1.448 50 0 BDAARM C[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC000008497417 342799514 /nfs/dbraw/zinc/79/95/14/342799514.db2.gz CVYVXURBKURNKE-ZETCQYMHSA-N -1 0 217.265 1.764 50 0 in-vitro BDAARM O=C([O-])c1ccc(NC(=O)C2CC2)s1 ZINC000009256643 342811604 /nfs/dbraw/zinc/81/16/04/342811604.db2.gz DGZWPZIMGXXBLC-UHFFFAOYSA-N -1 0 211.242 1.795 50 0 BDAARM O=C([O-])c1cc(-c2ccccc2O)[nH]n1 ZINC000008739517 342803962 /nfs/dbraw/zinc/80/39/62/342803962.db2.gz VTXQMHBETSEFDV-UHFFFAOYSA-N -1 0 204.185 1.481 50 0 BDAARM Cc1ccc(Cn2cccc(C(=O)[O-])c2=O)cc1 ZINC000008769013 342804572 /nfs/dbraw/zinc/80/45/72/342804572.db2.gz AGFKLIIEOYDROP-UHFFFAOYSA-N -1 0 243.262 1.903 50 0 BDAARM Nc1ccc(OC(F)(F)F)cc1C(=O)[O-] ZINC000008764144 342804684 /nfs/dbraw/zinc/80/46/84/342804684.db2.gz UXNGDCBPIGOZFO-UHFFFAOYSA-N -1 0 221.134 1.866 50 0 BDAARM CC[C@@H](C(=O)[O-])n1ccc(C(F)(F)F)n1 ZINC000012357637 342849828 /nfs/dbraw/zinc/84/98/28/342849828.db2.gz SXCCBRAAIUVZCQ-YFKPBYRVSA-N -1 0 222.166 1.938 50 0 BDAARM Cn1ccc(-c2cccc(C(=O)[O-])c2)n1 ZINC000012370655 342850362 /nfs/dbraw/zinc/85/03/62/342850362.db2.gz NQPMBEUYTBLTAG-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM CCOc1ccc(-n2ncc(C(=O)[O-])c2C)nn1 ZINC000012505391 342852614 /nfs/dbraw/zinc/85/26/14/342852614.db2.gz LVJCQHONUGHDDT-UHFFFAOYSA-N -1 0 248.242 1.068 50 0 BDAARM Cc1cc(C)cc(N2CC[C@H](C(=O)[O-])C2=O)c1 ZINC000011890875 342844185 /nfs/dbraw/zinc/84/41/85/342844185.db2.gz BSPQNSXDZAYSLO-NSHDSACASA-N -1 0 233.267 1.741 50 0 BDAARM CCCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000012954400 342861857 /nfs/dbraw/zinc/86/18/57/342861857.db2.gz KCQFZEBHMLIOAC-VIFPVBQESA-N -1 0 249.332 1.055 50 0 BDAARM O=C([O-])[C@@H](c1ccsc1)N1CCOCC1 ZINC000012954338 342861885 /nfs/dbraw/zinc/86/18/85/342861885.db2.gz FXNFVONNFHQFES-SECBINFHSA-N -1 0 227.285 1.206 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000013170344 342864896 /nfs/dbraw/zinc/86/48/96/342864896.db2.gz XFWRSHGZIGKYAP-VIFPVBQESA-N -1 0 211.261 1.110 50 0 BDAARM CCCc1nn(C)c(C(=O)[O-])c1Br ZINC000014985168 342890157 /nfs/dbraw/zinc/89/01/57/342890157.db2.gz KMTFOQPBLCPPTP-UHFFFAOYSA-N -1 0 247.092 1.833 50 0 BDAARM Cc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)[O-] ZINC000019093625 342941726 /nfs/dbraw/zinc/94/17/26/342941726.db2.gz KKDSTULRLHTHJN-MRVPVSSYSA-N -1 0 205.213 1.505 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC000019433373 342948602 /nfs/dbraw/zinc/94/86/02/342948602.db2.gz FNTJZIVCYKAYBY-MLRMMBSGSA-N -1 0 249.266 1.759 50 0 BDAARM COc1ccc(Cl)c(CC(=O)[O-])c1 ZINC000019974313 342965506 /nfs/dbraw/zinc/96/55/06/342965506.db2.gz NLBOKHCTHYDHRG-UHFFFAOYSA-N -1 0 200.621 1.976 50 0 BDAARM O=C([O-])c1cc(-n2ccnc2)ccc1O ZINC000020593710 342991675 /nfs/dbraw/zinc/99/16/75/342991675.db2.gz BCDMDOUWGCCDRR-UHFFFAOYSA-N -1 0 204.185 1.276 50 0 BDAARM CCOc1ccc2c(c1)C[C@@H](C(=O)[O-])CO2 ZINC000020285258 342980789 /nfs/dbraw/zinc/98/07/89/342980789.db2.gz FOGSWOAIRPOATM-SECBINFHSA-N -1 0 222.240 1.721 50 0 BDAARM CCCCCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000020362421 342984089 /nfs/dbraw/zinc/98/40/89/342984089.db2.gz FXZWYHLVUUFWJC-SNVBAGLBSA-N -1 0 227.304 1.890 50 0 BDAARM O=C([O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000020476446 342986796 /nfs/dbraw/zinc/98/67/96/342986796.db2.gz IHKPPGXEMNAVMC-UHFFFAOYSA-N -1 0 224.166 1.849 50 0 BDAARM O=C([O-])c1ccc(-c2cnccn2)cc1 ZINC000023528983 343065478 /nfs/dbraw/zinc/06/54/78/343065478.db2.gz DCCMRHMNLNXEDE-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM Cc1cc(=O)n(-c2ccc(Cl)cn2)[n-]1 ZINC000196797242 343077359 /nfs/dbraw/zinc/07/73/59/343077359.db2.gz HJBQMCWDZRCSFI-UHFFFAOYSA-N -1 0 209.636 1.848 50 0 BDAARM CC1(C)C[C@@H](O)c2c(cccc2C(=O)[O-])O1 ZINC000038867736 343109960 /nfs/dbraw/zinc/10/99/60/343109960.db2.gz YEFMXAXWEWYHNI-MRVPVSSYSA-N -1 0 222.240 1.979 50 0 BDAARM Cc1cc2c(SCCC(=O)[O-])nccn2n1 ZINC000156923155 343199234 /nfs/dbraw/zinc/19/92/34/343199234.db2.gz SYFPQGMHIYTTEF-UHFFFAOYSA-N -1 0 237.284 1.605 50 0 BDAARM O=C([O-])c1ccccc1-c1cncnc1 ZINC000033428447 343253899 /nfs/dbraw/zinc/25/38/99/343253899.db2.gz OLFSCYMDVCTSRL-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM O=C([O-])c1cn(Cc2ccccc2)cn1 ZINC000033966328 343263388 /nfs/dbraw/zinc/26/33/88/343263388.db2.gz KFKAUFNAOVFMPB-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM O=C([O-])CSC(=S)N1CCSCC1 ZINC000000292832 343269523 /nfs/dbraw/zinc/26/95/23/343269523.db2.gz OQIIEWJXMFZVCW-UHFFFAOYSA-N -1 0 237.371 1.138 50 0 BDAARM O=C([O-])c1cc2ccc(Br)cn2n1 ZINC000035269956 343291345 /nfs/dbraw/zinc/29/13/45/343291345.db2.gz FQSDTISBBQCEQT-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM CSc1ncc(C(=O)[O-])c(NC2CC2)n1 ZINC000035287484 343292535 /nfs/dbraw/zinc/29/25/35/343292535.db2.gz BDGOQWHUHVIPJU-UHFFFAOYSA-N -1 0 225.273 1.471 50 0 BDAARM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[O-] ZINC000039094022 343382141 /nfs/dbraw/zinc/38/21/41/343382141.db2.gz VZHAMECIWIQGRU-NKWVEPMBSA-N -1 0 217.265 1.620 50 0 BDAARM O=C([O-])c1cccnc1NCC1CCOCC1 ZINC000042784064 343453590 /nfs/dbraw/zinc/45/35/90/343453590.db2.gz FUVDHRPNJBQOMF-UHFFFAOYSA-N -1 0 236.271 1.618 50 0 BDAARM CCOC(=O)C=C([O-])c1cccc(C)n1 ZINC000082451859 343442328 /nfs/dbraw/zinc/44/23/28/343442328.db2.gz AFZCUUFXTFXYJV-UHFFFAOYSA-N -1 0 207.229 1.526 50 0 BDAARM CC(C)OCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263513945 136374799 /nfs/dbraw/zinc/37/47/99/136374799.db2.gz OFDSRSQYLHEBOM-UWVGGRQHSA-N -1 0 243.303 1.123 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCCCCCC1 ZINC000006760964 349838157 /nfs/dbraw/zinc/83/81/57/349838157.db2.gz UZOXCZPEXYPXNF-GHMZBOCLSA-N -1 0 239.315 1.936 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC000210749840 349875328 /nfs/dbraw/zinc/87/53/28/349875328.db2.gz MJQHNBXBMIPISF-WWQCOOJYSA-N -1 0 249.266 1.616 50 0 BDAARM CCOC(=O)c1c[n-]n(Cc2ccccc2)c1=O ZINC000005836070 344142640 /nfs/dbraw/zinc/14/26/40/344142640.db2.gz KDBJJPVHBRLKKR-UHFFFAOYSA-N -1 0 246.266 1.401 50 0 BDAARM O=C([O-])C1=CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000585134226 344146959 /nfs/dbraw/zinc/14/69/59/344146959.db2.gz IZYCWDQNWOYGAH-JTQLQIEISA-N -1 0 235.283 1.586 50 0 BDAARM CC(C)c1ncc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cn1 ZINC000585134466 344146974 /nfs/dbraw/zinc/14/69/74/344146974.db2.gz VEKTZOFDSVORNP-IUCAKERBSA-N -1 0 249.270 1.259 50 0 BDAARM CC(C)c1c[n-]n2c1nc(=S)[nH]c2=O ZINC000306707356 344409403 /nfs/dbraw/zinc/40/94/03/344409403.db2.gz RGISLMSLBUBTKY-UHFFFAOYSA-N -1 0 210.262 1.616 50 0 BDAARM Cc1ccc(Cn2nc(C(=O)[O-])ccc2=O)cc1 ZINC000035099465 178665396 /nfs/dbraw/zinc/66/53/96/178665396.db2.gz JEEAMJUTTFXUDJ-UHFFFAOYSA-N -1 0 244.250 1.298 50 0 BDAARM CC[C@@H](C)N1C(=O)C(CC)C([O-])=NC1=S ZINC000104483687 344460166 /nfs/dbraw/zinc/46/01/66/344460166.db2.gz UVDMRSMTCAKJGM-ZCFIWIBFSA-N -1 0 228.317 1.771 50 0 BDAARM COc1c(C(=O)[O-])ccnc1C(F)(F)F ZINC000238350824 345027026 /nfs/dbraw/zinc/02/70/26/345027026.db2.gz UUQZNTDYUGKXDA-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM O=C1Nc2ccc([S@](=O)[O-])c3cccc1c23 ZINC000115252981 537903710 /nfs/dbraw/zinc/90/37/10/537903710.db2.gz CIFMENNVXULQMZ-UHFFFAOYSA-N -1 0 233.248 1.986 50 0 BDAARM Cc1ccc2c(O)c(C(=O)[O-])cnc2c1C ZINC000000151623 178938312 /nfs/dbraw/zinc/93/83/12/178938312.db2.gz NDYCTYRHTJYACP-UHFFFAOYSA-N -1 0 217.224 1.843 50 0 biogenic BDAARM Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)[O-])O2 ZINC000005137512 178947340 /nfs/dbraw/zinc/94/73/40/178947340.db2.gz RXCSQRXSUWWVCV-VIFPVBQESA-N -1 0 221.212 1.169 50 0 BDAARM Cc1ccc2c(c1)OC[C@H](CC(=O)[O-])C(=O)N2 ZINC000032917172 178948725 /nfs/dbraw/zinc/94/87/25/178948725.db2.gz NSSYUVSGDJWRML-QMMMGPOBSA-N -1 0 235.239 1.417 50 0 BDAARM Cc1cccc(-n2cc(O)c(C(=O)[O-])n2)c1C ZINC000036721584 179000020 /nfs/dbraw/zinc/00/00/20/179000020.db2.gz QFMWQBJTZSBBAN-UHFFFAOYSA-N -1 0 232.239 1.893 50 0 BDAARM Cc1cccc(-n2cnc(C(=O)[O-])c2)c1 ZINC000012404849 179001184 /nfs/dbraw/zinc/00/11/84/179001184.db2.gz HTJYLYCUSXCALJ-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1cccc(-n2cnc(C(=O)[O-])c2)n1 ZINC000001392884 179001481 /nfs/dbraw/zinc/00/14/81/179001481.db2.gz JPPXNBWJJKUHGM-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1cccc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000095961815 179024935 /nfs/dbraw/zinc/02/49/35/179024935.db2.gz TUORVYSYPMGOBD-RYUDHWBXSA-N -1 0 247.294 1.978 50 0 BDAARM Cc1cccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000003220750 179022550 /nfs/dbraw/zinc/02/25/50/179022550.db2.gz HODWPRQQRJVYGG-NSHDSACASA-N -1 0 235.283 1.834 50 0 BDAARM CCCCCc1cc(=O)n2nc[n-]c2n1 ZINC000006756698 346655246 /nfs/dbraw/zinc/65/52/46/346655246.db2.gz QTDNUJHNLWQLJE-UHFFFAOYSA-N -1 0 206.249 1.563 50 0 BDAARM Cc1cccc(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000008997472 179159617 /nfs/dbraw/zinc/15/96/17/179159617.db2.gz GDROUCSVLUNFPR-UHFFFAOYSA-N -1 0 216.244 1.525 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc3[nH]ccc32)N1 ZINC000013572913 362785936 /nfs/dbraw/zinc/78/59/36/362785936.db2.gz ROGPMJUBRBCGPW-QWRGUYRKSA-N -1 0 248.307 1.956 50 0 BDAARM Cc1cccc([C@H](CC(=O)[O-])NC(N)=O)c1 ZINC000012998129 179199160 /nfs/dbraw/zinc/19/91/60/179199160.db2.gz DIEWXCQMNINIJP-VIFPVBQESA-N -1 0 222.244 1.179 50 0 BDAARM Cc1ccccc1-c1noc(CC(=O)[O-])n1 ZINC000020269086 179241369 /nfs/dbraw/zinc/24/13/69/179241369.db2.gz SXPSXXNJEMDXLS-UHFFFAOYSA-N -1 0 218.212 1.672 50 0 BDAARM Cc1ccccc1CC(=O)NC[C@@H](C)C(=O)[O-] ZINC000054309548 179259664 /nfs/dbraw/zinc/25/96/64/179259664.db2.gz IPKGITSEPWEIEE-SNVBAGLBSA-N -1 0 235.283 1.374 50 0 BDAARM C/C=C(/C)C(=O)N(CC)C[C@@H](C)C(=O)[O-] ZINC000108462085 490141404 /nfs/dbraw/zinc/14/14/04/490141404.db2.gz UQHMDPIIQBTKPY-BZJXQOFCSA-N -1 0 213.277 1.522 50 0 BDAARM Cc1ccn(CCSCC(=O)[O-])n1 ZINC000002578349 179410490 /nfs/dbraw/zinc/41/04/90/179410490.db2.gz LJRBYTNIWDEEOD-UHFFFAOYSA-N -1 0 200.263 1.009 50 0 BDAARM Cc1ccnc(NC(=O)CCCCC(=O)[O-])c1 ZINC000002573220 179435637 /nfs/dbraw/zinc/43/56/37/179435637.db2.gz IJVVSZYWTSPYNQ-UHFFFAOYSA-N -1 0 236.271 1.974 50 0 BDAARM Cc1cnc(NC(=O)C[C@@H](C)CC(=O)[O-])s1 ZINC000061834419 179625713 /nfs/dbraw/zinc/62/57/13/179625713.db2.gz CNQNIGSEQXWGPM-ZCFIWIBFSA-N -1 0 242.300 1.891 50 0 BDAARM CC(=O)N/C(=C\C=C\c1ccccc1)C(=O)[O-] ZINC000004710211 187411651 /nfs/dbraw/zinc/41/16/51/187411651.db2.gz DHYWMAJIZWBSNP-VQDMZCOGSA-N -1 0 231.251 1.804 50 0 BDAARM CC(C)N1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccn1 ZINC000040162959 187427612 /nfs/dbraw/zinc/42/76/12/187427612.db2.gz YKPGTPDRMJJFDN-CABZTGNLSA-N -1 0 248.282 1.464 50 0 biogenic BDAARM CC(=O)Nc1cc(C)c(O)c(C(=O)[O-])c1 ZINC000020136416 190981460 /nfs/dbraw/zinc/98/14/60/190981460.db2.gz RTAMAPMJGXGVLT-UHFFFAOYSA-N -1 0 209.201 1.357 50 0 BDAARM COc1cc(C(=O)[O-])ccc1NC(=O)C1CC1 ZINC000211403906 349269294 /nfs/dbraw/zinc/26/92/94/349269294.db2.gz CBUSHSBEDAOJEH-UHFFFAOYSA-N -1 0 235.239 1.742 50 0 BDAARM CC[NH+](CC)C[P@@](=O)([O-])CCC(=O)[O-] ZINC000003173043 350087102 /nfs/dbraw/zinc/08/71/02/350087102.db2.gz NWVZSTDWHGITHV-UHFFFAOYSA-N -1 0 223.209 1.031 50 0 BDAARM Cc1nc([N-]S(C)(=O)=O)nc2c1CCCC2 ZINC000130587994 180021776 /nfs/dbraw/zinc/02/17/76/180021776.db2.gz ULPWSKQWNCEHST-UHFFFAOYSA-N -1 0 241.316 1.035 50 0 BDAARM COc1cc(-c2nn[nH]n2)cc(Cl)c1O ZINC000000795910 350095085 /nfs/dbraw/zinc/09/50/85/350095085.db2.gz IEIPJRRNOSZGIS-UHFFFAOYSA-N -1 0 226.623 1.234 50 0 BDAARM Cc1nc2[n-]c(CC(C)C)nn2c(=O)c1C ZINC000096781110 180114466 /nfs/dbraw/zinc/11/44/66/180114466.db2.gz UJHSXJPKFZQXPG-UHFFFAOYSA-N -1 0 220.276 1.645 50 0 BDAARM Cc1nc2onc(-c3cccnc3)c2c(=O)[nH]1 ZINC000004629506 180115661 /nfs/dbraw/zinc/11/56/61/180115661.db2.gz UWBKMHPPMVWVJV-UHFFFAOYSA-N -1 0 228.211 1.282 50 0 BDAARM O=C([O-])CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000238160691 191073353 /nfs/dbraw/zinc/07/33/53/191073353.db2.gz IBWAIQSIGONGJU-LLVKDONJSA-N -1 0 239.246 1.284 50 0 BDAARM Cc1nccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000091493667 180194709 /nfs/dbraw/zinc/19/47/09/180194709.db2.gz KKGYSTCYDXQTCT-WDEREUQCSA-N -1 0 247.298 1.332 50 0 BDAARM Cc1nccn1-c1ccc(C(=O)[O-])cn1 ZINC000022168801 180229072 /nfs/dbraw/zinc/22/90/72/180229072.db2.gz VDOXJBFYYOMBGL-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])[C@H]1NC(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000033975864 350252835 /nfs/dbraw/zinc/25/28/35/350252835.db2.gz SZOMBCQXORQIFV-WPRPVWTQSA-N -1 0 239.658 1.397 50 0 BDAARM Cc1cc(F)cc(C(=O)N(C)CCC(=O)[O-])c1 ZINC000132998197 191104425 /nfs/dbraw/zinc/10/44/25/191104425.db2.gz PGEYNCDCTWVFAA-UHFFFAOYSA-N -1 0 239.246 1.681 50 0 BDAARM Cc1nnnn1/C(=C\c1ccccc1)C(=O)[O-] ZINC000012504653 180453934 /nfs/dbraw/zinc/45/39/34/180453934.db2.gz PTBNDKSHTBGKBT-YFHOEESVSA-N -1 0 230.227 1.064 50 0 BDAARM CC(C)(C)c1cc(C(=O)[O-])[nH]c2n[nH]c(=O)c1-2 ZINC000100481935 187458475 /nfs/dbraw/zinc/45/84/75/187458475.db2.gz PSQSJSAXCABIEI-UHFFFAOYSA-N -1 0 235.243 1.247 50 0 BDAARM CC(C)[C@H]1CCC(=O)C[C@@H]1OCC(=O)[O-] ZINC000000392920 187471264 /nfs/dbraw/zinc/47/12/64/187471264.db2.gz PPPCNBYRWDHKNV-ZJUUUORDSA-N -1 0 214.261 1.481 50 0 BDAARM Cn1c(CCC(=O)[O-])nc2cc(N)ccc21 ZINC000004902016 180617308 /nfs/dbraw/zinc/61/73/08/180617308.db2.gz LAJGKMSQNZIEHN-UHFFFAOYSA-N -1 0 219.244 1.173 50 0 BDAARM O=C([O-])c1ccc(C(=O)N2CCCC2)cc1 ZINC000034569495 363148841 /nfs/dbraw/zinc/14/88/41/363148841.db2.gz RHWLIPUKNHPPJJ-UHFFFAOYSA-N -1 0 219.240 1.621 50 0 BDAARM CC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC000000133144 188098621 /nfs/dbraw/zinc/09/86/21/188098621.db2.gz NEXPUPCQAHFHGF-UHFFFAOYSA-N -1 0 213.620 1.997 50 0 BDAARM CC(=O)N/C(=C\c1cc(F)cc(F)c1)C(=O)[O-] ZINC000004710227 188102410 /nfs/dbraw/zinc/10/24/10/188102410.db2.gz DHOMOKKAUSLKGQ-WMZJFQQLSA-N -1 0 241.193 1.526 50 0 BDAARM Cc1nn2c(nc(C)cc2C(=O)[O-])c1Cl ZINC000012395103 188104726 /nfs/dbraw/zinc/10/47/26/188104726.db2.gz LDHGKDGYGMKXRC-UHFFFAOYSA-N -1 0 225.635 1.698 50 0 BDAARM Cc1ccc2[nH]c(=O)c(CCC(=O)[O-])cc2c1 ZINC000011981897 188105031 /nfs/dbraw/zinc/10/50/31/188105031.db2.gz JRXVHEQYIPNAET-UHFFFAOYSA-N -1 0 231.251 1.854 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012954219 188105286 /nfs/dbraw/zinc/10/52/86/188105286.db2.gz FEPYBSDCOQXJAI-BDAKNGLRSA-N -1 0 241.287 1.931 50 0 BDAARM CC(=O)Nc1ccc(/C=C/C(=O)[O-])cn1 ZINC000039186023 188119372 /nfs/dbraw/zinc/11/93/72/188119372.db2.gz LBEPNLIADKHBQQ-HWKANZROSA-N -1 0 206.201 1.138 50 0 BDAARM CC(=O)Nc1c(Cl)cccc1C(=O)[O-] ZINC000044965650 188123406 /nfs/dbraw/zinc/12/34/06/188123406.db2.gz DAUJGXGQAQZDOW-UHFFFAOYSA-N -1 0 213.620 1.997 50 0 BDAARM CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000044831624 188124054 /nfs/dbraw/zinc/12/40/54/188124054.db2.gz UCCLBCNDXKDPDT-RXMQYKEDSA-N -1 0 239.218 1.620 50 0 BDAARM COc1nc(Br)ccc1C(=O)[O-] ZINC000079062168 188136387 /nfs/dbraw/zinc/13/63/87/188136387.db2.gz YMPQUJFCCCPCAF-UHFFFAOYSA-N -1 0 232.033 1.551 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccc(F)c(F)c1 ZINC000000097778 188158267 /nfs/dbraw/zinc/15/82/67/188158267.db2.gz HNGWFUYQWISQED-ONEGZZNKSA-N -1 0 227.166 1.544 50 0 BDAARM O=C([O-])c1nonc1OCc1ccccc1 ZINC000074077689 355110887 /nfs/dbraw/zinc/11/08/87/355110887.db2.gz JXULQGNKFYMSJX-UHFFFAOYSA-N -1 0 220.184 1.347 50 0 BDAARM Cn1c(C(=O)NCCC(=O)[O-])cc2ccccc21 ZINC000049543571 356479326 /nfs/dbraw/zinc/47/93/26/356479326.db2.gz STXFOZKLGDCLRE-UHFFFAOYSA-N -1 0 246.266 1.383 50 0 biogenic BDAARM Cc1onc(-c2cccn2C)c1C(=O)[O-] ZINC000675058110 538480698 /nfs/dbraw/zinc/48/06/98/538480698.db2.gz WCEOYMRDKCIMBE-UHFFFAOYSA-N -1 0 206.201 1.687 50 0 BDAARM O=Cc1ccccc1-c1cnc(C(=O)[O-])nc1 ZINC000675070404 538501601 /nfs/dbraw/zinc/50/16/01/538501601.db2.gz XMJWCMNHVQUDMT-UHFFFAOYSA-N -1 0 228.207 1.654 50 0 BDAARM CC(C)(C)n1cc(-c2cnc(C(=O)[O-])nc2)cn1 ZINC000675069423 538498185 /nfs/dbraw/zinc/49/81/85/538498185.db2.gz HBISDHCJKAHNEF-UHFFFAOYSA-N -1 0 246.270 1.793 50 0 BDAARM CC(=O)C(=C(C)[O-])C(=O)c1ccoc1C ZINC000087196398 538565046 /nfs/dbraw/zinc/56/50/46/538565046.db2.gz UDDXQQNMVSDVIK-UHFFFAOYSA-N -1 0 208.213 1.565 50 0 BDAARM CC(=O)NCCc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000075280206 356938689 /nfs/dbraw/zinc/93/86/89/356938689.db2.gz RJOHWULMOKVKJI-UHFFFAOYSA-N -1 0 246.266 1.545 50 0 BDAARM O=C([O-])C1([C@H]2CCCCO2)CCOCC1 ZINC000585138670 538796592 /nfs/dbraw/zinc/79/65/92/538796592.db2.gz CESDUJUNWKCURN-SECBINFHSA-N -1 0 214.261 1.437 50 0 BDAARM Cc1n[n-]c(=NC[C@H]2CCO[C@@H](C(C)C)C2)o1 ZINC000578834902 366655432 /nfs/dbraw/zinc/65/54/32/366655432.db2.gz HWSZOQUTFWMFJV-WDEREUQCSA-N -1 0 239.319 1.663 50 0 BDAARM O=C([N-][C@@H]1C[C@H](O)c2ccccc21)C(F)(F)F ZINC000200937135 360453810 /nfs/dbraw/zinc/45/38/10/360453810.db2.gz KNYCCPSQQQDWMZ-BDAKNGLRSA-N -1 0 245.200 1.843 50 0 BDAARM COc1cc(C(=O)[O-])c(C(F)(F)F)cn1 ZINC000238358231 360931913 /nfs/dbraw/zinc/93/19/13/360931913.db2.gz WWWPGPPVWJWILM-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM CCc1ccc(CCC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000036966214 361584963 /nfs/dbraw/zinc/58/49/63/361584963.db2.gz BLEBBBKCYATJOW-SNVBAGLBSA-N -1 0 249.310 1.771 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)CCC1CCCC1 ZINC000036966821 361585314 /nfs/dbraw/zinc/58/53/14/361585314.db2.gz OHIMNZRAWFDHET-VIFPVBQESA-N -1 0 227.304 1.936 50 0 BDAARM CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000037516611 364140960 /nfs/dbraw/zinc/14/09/60/364140960.db2.gz CEAFTXCGSLKSQD-QWRGUYRKSA-N -1 0 233.267 1.760 50 0 BDAARM O=C([O-])c1c(-c2ncc[nH]2)noc1C(F)(F)F ZINC000675057363 541462962 /nfs/dbraw/zinc/46/29/62/541462962.db2.gz COTQYMHROIAGRH-UHFFFAOYSA-N -1 0 247.132 1.782 50 0 BDAARM O=C1Nc2cc(Br)c(F)cc2C1=O ZINC000146149101 368394012 /nfs/dbraw/zinc/39/40/12/368394012.db2.gz ZWODPNMMHAURNN-UHFFFAOYSA-N -1 0 244.019 1.723 50 0 BDAARM CC(C)c1ccc(N)c(S(=O)(=O)[O-])c1 ZINC000002350614 369319041 /nfs/dbraw/zinc/31/90/41/369319041.db2.gz OEXQUDLUKKYPQH-UHFFFAOYSA-N -1 0 215.274 1.639 50 0 BDAARM C[C@@H]1CC/C(=C/C(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000390832658 371239545 /nfs/dbraw/zinc/23/95/45/371239545.db2.gz BTOVVNCAUQBAGP-QTCFEDSUSA-N -1 0 237.299 1.808 50 0 BDAARM Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000012956785 181698707 /nfs/dbraw/zinc/69/87/07/181698707.db2.gz FEXDUVBQBNYSQV-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 BDAARM Nc1ncc(C(=O)[O-])c(-c2ccccc2)n1 ZINC000001724223 181796972 /nfs/dbraw/zinc/79/69/72/181796972.db2.gz QYMSHUCTVIQCSI-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM O=C(Cc1n[n-]cnc1=O)c1ccc(Cl)cc1 ZINC000000174120 182060298 /nfs/dbraw/zinc/06/02/98/182060298.db2.gz ADWGJFNFTFCBNL-UHFFFAOYSA-N -1 0 249.657 1.244 50 0 BDAARM O=C(NC1CC1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000013126379 182098562 /nfs/dbraw/zinc/09/85/62/182098562.db2.gz IQHVDPCJUIPWTE-UHFFFAOYSA-N -1 0 244.250 1.126 50 0 BDAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CC1 ZINC000084419320 182351513 /nfs/dbraw/zinc/35/15/13/182351513.db2.gz KFFSVIYGNKENOP-UHFFFAOYSA-N -1 0 245.238 1.791 50 0 BDAARM O=C([O-])c1ccccc1NC(=O)c1cc[nH]n1 ZINC000000098318 182377666 /nfs/dbraw/zinc/37/76/66/182377666.db2.gz ZMOZLLODXPTQNF-UHFFFAOYSA-N -1 0 231.211 1.154 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccn1 ZINC000000398302 182381325 /nfs/dbraw/zinc/38/13/25/182381325.db2.gz NAAOFYSESODFQG-VHSXEESVSA-N -1 0 246.266 1.687 50 0 BDAARM O=C([O-])C1CCC(O)(C(F)(F)F)CC1 ZINC000072482088 182429138 /nfs/dbraw/zinc/42/91/38/182429138.db2.gz FIUBKGKIMNZJSO-UHFFFAOYSA-N -1 0 212.167 1.555 50 0 BDAARM O=C([O-])CCCc1nnc2ccc(Cl)nn21 ZINC000032500175 182442993 /nfs/dbraw/zinc/44/29/93/182442993.db2.gz XARCPAXVULGGQA-UHFFFAOYSA-N -1 0 240.650 1.185 50 0 BDAARM O=C([O-])CCc1nc(-c2ccccc2)no1 ZINC000002437734 182456014 /nfs/dbraw/zinc/45/60/14/182456014.db2.gz UBSBRLFVQKHLPG-UHFFFAOYSA-N -1 0 218.212 1.754 50 0 BDAARM O=C([O-])COc1ccnc2ccc(F)cc21 ZINC000040216570 182471661 /nfs/dbraw/zinc/47/16/61/182471661.db2.gz IIZYSRTTZQEGAR-UHFFFAOYSA-N -1 0 221.187 1.837 50 0 BDAARM O=C([O-])CSc1nc(Cc2ccccc2)n[nH]1 ZINC000006575281 182474046 /nfs/dbraw/zinc/47/40/46/182474046.db2.gz QEDGMCURIBDFME-UHFFFAOYSA-N -1 0 249.295 1.572 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(CCNc2ccccc2)C1 ZINC000065505373 182507538 /nfs/dbraw/zinc/50/75/38/182507538.db2.gz SJQNUSPCMPKFNZ-SNVBAGLBSA-N -1 0 248.282 1.032 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000019506061 182508226 /nfs/dbraw/zinc/50/82/26/182508226.db2.gz MUWBJXZEXGIYJD-MNOVXSKESA-N -1 0 237.299 1.808 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccccc1 ZINC000019282893 182508743 /nfs/dbraw/zinc/50/87/43/182508743.db2.gz ZQPYJXXYTOWXCT-LBPRGKRZSA-N -1 0 247.294 1.695 50 0 BDAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC000062117544 182514082 /nfs/dbraw/zinc/51/40/82/182514082.db2.gz MAGPYUACZDQKBA-CDAZIORVSA-N -1 0 235.239 1.226 50 0 BDAARM O=C([O-])[C@@H]1Cc2cc(Br)ccc2O1 ZINC000040541906 182522237 /nfs/dbraw/zinc/52/22/37/182522237.db2.gz MWNCCBAITNRTSN-QMMMGPOBSA-N -1 0 243.056 1.837 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000151452 182531236 /nfs/dbraw/zinc/53/12/36/182531236.db2.gz QPYOMMCYFFZXIT-ZETCQYMHSA-N -1 0 239.658 1.778 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1ccccc1 ZINC000033435002 182534453 /nfs/dbraw/zinc/53/44/53/182534453.db2.gz WSBOYOYQOJYXMU-JLVNDZCYSA-N -1 0 245.278 1.775 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(F)cc2F)N1 ZINC000000138374 182544857 /nfs/dbraw/zinc/54/48/57/182544857.db2.gz XSVQIJYCIWPGQR-BDAKNGLRSA-N -1 0 245.250 1.753 50 0 BDAARM O=C([O-])c1cc(O)c(Br)c(O)c1 ZINC000000056611 182557521 /nfs/dbraw/zinc/55/75/21/182557521.db2.gz NUTRHYYFCDEALP-UHFFFAOYSA-N -1 0 233.017 1.559 50 0 in-vitro BDAARM O=C([O-])c1cccc(C(=O)NC2CCOCC2)c1 ZINC000036320208 182576288 /nfs/dbraw/zinc/57/62/88/182576288.db2.gz WQUFWXDNNWAYBB-UHFFFAOYSA-N -1 0 249.266 1.294 50 0 BDAARM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000004750399 182568239 /nfs/dbraw/zinc/56/82/39/182568239.db2.gz FOHSSDUZVMIPFS-JTQLQIEISA-N -1 0 235.239 1.502 50 0 BDAARM O=C([O-])c1cccc(OCC2CCC2)n1 ZINC000047476133 182578939 /nfs/dbraw/zinc/57/89/39/182578939.db2.gz KVHXNUQVENXOKS-UHFFFAOYSA-N -1 0 207.229 1.959 50 0 BDAARM O=C([O-])C1=NC(=O)N[C@@H](c2ccccc2)C1 ZINC000003311134 182795669 /nfs/dbraw/zinc/79/56/69/182795669.db2.gz JAGRUSXXRNCWLX-MRVPVSSYSA-N -1 0 218.212 1.009 50 0 BDAARM O=Cc1cc(Cl)ccc1OCC(=O)[O-] ZINC000002019167 182861974 /nfs/dbraw/zinc/86/19/74/182861974.db2.gz VXVIICNFYDEOJG-UHFFFAOYSA-N -1 0 214.604 1.616 50 0 BDAARM O=S(=O)([N-]C1CC1)c1c(F)cccc1F ZINC000007375420 182894879 /nfs/dbraw/zinc/89/48/79/182894879.db2.gz WWGZUZAURHNMBG-UHFFFAOYSA-N -1 0 233.239 1.406 50 0 BDAARM Oc1[n-]c(-c2ccccc2)nc2nnnc1-2 ZINC000097021076 183306325 /nfs/dbraw/zinc/30/63/25/183306325.db2.gz DZIQSUMQUBWFNQ-UHFFFAOYSA-N -1 0 213.200 1.121 50 0 BDAARM O=c1nc(-c2ccccc2)[nH]c(=S)[n-]1 ZINC000000164570 183307443 /nfs/dbraw/zinc/30/74/43/183307443.db2.gz SOOHREIWXFQLAH-UHFFFAOYSA-N -1 0 205.242 1.907 50 0 BDAARM O=c1[n-]c(C(F)(F)F)nc2n[nH]cc21 ZINC000017313362 183308367 /nfs/dbraw/zinc/30/83/67/183308367.db2.gz SPMUOCNXSSGFQZ-UHFFFAOYSA-N -1 0 204.111 1.077 50 0 BDAARM O=c1[n-]nnn1Cc1ccc(Cl)cc1Cl ZINC000075252515 183310648 /nfs/dbraw/zinc/31/06/48/183310648.db2.gz WUIFLHAALXVSKR-UHFFFAOYSA-N -1 0 245.069 1.734 50 0 BDAARM CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003327108 169272766 /nfs/dbraw/zinc/27/27/66/169272766.db2.gz AKHAVOBIYIELGF-UHFFFAOYSA-N -1 0 243.284 1.073 50 0 BDAARM CCC[C@@H](CC(=O)[O-])NC(=O)CC(C)C ZINC000095976331 169375348 /nfs/dbraw/zinc/37/53/48/169375348.db2.gz KLOCLDNFDWLYNX-VIFPVBQESA-N -1 0 215.293 1.792 50 0 BDAARM CC(C)(C)OC(=O)Nc1cnc(C(=O)[O-])cn1 ZINC000061958007 166669737 /nfs/dbraw/zinc/66/97/37/166669737.db2.gz MOLNWRVQKCBISZ-UHFFFAOYSA-N -1 0 239.231 1.522 50 0 BDAARM CC(C)C[C@@H](C(=O)[O-])N1CCCCC1=O ZINC000034979038 383822236 /nfs/dbraw/zinc/82/22/36/383822236.db2.gz LAOWICUCZUETCI-VIFPVBQESA-N -1 0 213.277 1.498 50 0 BDAARM O=C([O-])/C=C/C1=CCCC2(C1)OCCO2 ZINC000035087310 383828187 /nfs/dbraw/zinc/82/81/87/383828187.db2.gz FWFDDYZZFODCDR-ONEGZZNKSA-N -1 0 210.229 1.481 50 0 BDAARM NC(=O)c1cccc2cccc(C(=O)[O-])c21 ZINC000000156339 383835723 /nfs/dbraw/zinc/83/57/23/383835723.db2.gz GRVIMBYDMARKEZ-UHFFFAOYSA-N -1 0 215.208 1.637 50 0 BDAARM CS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000000154306 383836421 /nfs/dbraw/zinc/83/64/21/383836421.db2.gz ZZZBVBATZOAPQB-UHFFFAOYSA-N -1 0 228.269 1.107 50 0 BDAARM CC(C)(C)OC(=O)c1ncc(CC(=O)[O-])s1 ZINC000066055287 383845461 /nfs/dbraw/zinc/84/54/61/383845461.db2.gz LBHKDBDPVPVPAN-UHFFFAOYSA-N -1 0 243.284 1.726 50 0 BDAARM O=C([O-])/C(=C\c1ccco1)NC(=O)c1ccco1 ZINC000000264833 383847594 /nfs/dbraw/zinc/84/75/94/383847594.db2.gz GJTMOBINDWOQAV-VQHVLOKHSA-N -1 0 247.206 1.728 50 0 BDAARM O=C([O-])CNC(=O)Nc1ccccc1F ZINC000000257948 383848542 /nfs/dbraw/zinc/84/85/42/383848542.db2.gz LHVDEGPYBRTXIO-UHFFFAOYSA-N -1 0 212.180 1.032 50 0 BDAARM COc1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000000287750 383850677 /nfs/dbraw/zinc/85/06/77/383850677.db2.gz OWZVGMTVBDSNGU-UHFFFAOYSA-N -1 0 237.255 1.889 50 0 BDAARM O=Cc1cn(CCC(=O)[O-])c2ccccc12 ZINC000000346402 383856265 /nfs/dbraw/zinc/85/62/65/383856265.db2.gz JTZOWGOXFQNPPO-UHFFFAOYSA-N -1 0 217.224 1.929 50 0 BDAARM O=C([O-])Cc1cc(Br)ccc1O ZINC000066325507 383858241 /nfs/dbraw/zinc/85/82/41/383858241.db2.gz SKGHTMGJWQZJEI-UHFFFAOYSA-N -1 0 231.045 1.782 50 0 BDAARM O=C([O-])CCCC(=O)Nc1ccc(Cl)cn1 ZINC000000367804 383858558 /nfs/dbraw/zinc/85/85/58/383858558.db2.gz QOIFZZMLDLYEBJ-UHFFFAOYSA-N -1 0 242.662 1.928 50 0 BDAARM O=C([O-])CC[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000000395927 383864751 /nfs/dbraw/zinc/86/47/51/383864751.db2.gz IHSNQUNHINYDDN-SNVBAGLBSA-N -1 0 237.255 1.094 50 0 BDAARM O=C([O-])C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035688522 383867149 /nfs/dbraw/zinc/86/71/49/383867149.db2.gz SKXBVWGGQFGPID-SSDOTTSWSA-N -1 0 226.253 1.032 50 0 BDAARM CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000000142850 383833291 /nfs/dbraw/zinc/83/32/91/383833291.db2.gz MIYQNOPLWKCHED-SNVBAGLBSA-N -1 0 221.256 1.526 50 0 BDAARM CC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000000149023 383833323 /nfs/dbraw/zinc/83/33/23/383833323.db2.gz CNWHHQWYXIPHGY-UHFFFAOYSA-N -1 0 214.604 1.964 50 0 BDAARM Cc1nc(-c2cc(C(=O)[O-])no2)cs1 ZINC000000158788 383835128 /nfs/dbraw/zinc/83/51/28/383835128.db2.gz QAXQRHWAJNDTCV-UHFFFAOYSA-N -1 0 210.214 1.805 50 0 BDAARM COc1cc(C(=O)[O-])cc(Br)n1 ZINC000067176112 383914708 /nfs/dbraw/zinc/91/47/08/383914708.db2.gz MSWQBBSWODQKLQ-UHFFFAOYSA-N -1 0 232.033 1.551 50 0 BDAARM Cc1nnsc1S[C@@H](C)C(=O)[O-] ZINC000001385570 383896034 /nfs/dbraw/zinc/89/60/34/383896034.db2.gz JFZLTSZKHXCPCB-BYPYZUCNSA-N -1 0 204.276 1.412 50 0 BDAARM CN(C)c1cc(=O)n(Cc2ccccc2)[nH]1 ZINC000001560966 383904960 /nfs/dbraw/zinc/90/49/60/383904960.db2.gz PFAIMJPYVAUVLT-UHFFFAOYSA-N -1 0 217.272 1.294 50 0 BDAARM O=C([O-])CSC(=S)NC1CCCC1 ZINC000002799018 383986234 /nfs/dbraw/zinc/98/62/34/383986234.db2.gz HUAHQWFELFDWAO-UHFFFAOYSA-N -1 0 219.331 1.621 50 0 BDAARM O=C([O-])CCS(=O)(=O)Cc1ccccc1F ZINC000003031875 383996079 /nfs/dbraw/zinc/99/60/79/383996079.db2.gz BDAQTOXUJYSRFY-UHFFFAOYSA-N -1 0 246.259 1.215 50 0 BDAARM O=C([O-])CCc1nc(-c2ccoc2)no1 ZINC000068577271 383999717 /nfs/dbraw/zinc/99/97/17/383999717.db2.gz SDHOVKREXIVDMG-UHFFFAOYSA-N -1 0 208.173 1.347 50 0 BDAARM O=C([O-])C(=O)c1ccccc1Br ZINC000002025668 383947086 /nfs/dbraw/zinc/94/70/86/383947086.db2.gz BCGITRTXBFIXCC-UHFFFAOYSA-N -1 0 229.029 1.716 50 0 BDAARM O=C([O-])CCCNC(=O)c1cccnc1Cl ZINC000002027204 383947206 /nfs/dbraw/zinc/94/72/06/383947206.db2.gz UMXSSTMISMBXPS-UHFFFAOYSA-N -1 0 242.662 1.330 50 0 BDAARM O=C([O-])CC(=O)Nc1ccc(Cl)cc1 ZINC000002557470 383974327 /nfs/dbraw/zinc/97/43/27/383974327.db2.gz SZRLNCGUHRKKDN-UHFFFAOYSA-N -1 0 213.620 1.753 50 0 BDAARM O=C([O-])Cn1ccc(-c2cccs2)n1 ZINC000002567190 383975718 /nfs/dbraw/zinc/97/57/18/383975718.db2.gz LYUDGOSZMNHZIX-UHFFFAOYSA-N -1 0 208.242 1.696 50 0 BDAARM O=C([O-])C[C@@H]1COCCN1Cc1ccsc1 ZINC000072167364 384016815 /nfs/dbraw/zinc/01/68/15/384016815.db2.gz LNIRMTLLAVQUMT-SNVBAGLBSA-N -1 0 241.312 1.424 50 0 BDAARM Cn1nc(SCC(=O)[O-])sc1=S ZINC000003645005 384022889 /nfs/dbraw/zinc/02/28/89/384022889.db2.gz UQTGXSUVDVXKIP-UHFFFAOYSA-N -1 0 222.316 1.388 50 0 BDAARM O=C([O-])CNC(=O)c1ccc2ccccc2c1 ZINC000003335018 384004895 /nfs/dbraw/zinc/00/48/95/384004895.db2.gz XPQCDYYJHJOAIC-UHFFFAOYSA-N -1 0 229.235 1.654 50 0 BDAARM O=C([O-])c1ccnc(Br)c1F ZINC000090395295 384044620 /nfs/dbraw/zinc/04/46/20/384044620.db2.gz DHFIVEUMGCJILQ-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM CC(C)CO[C@H]1C(=O)CCC[C@H]1CC(=O)[O-] ZINC000004839461 384083586 /nfs/dbraw/zinc/08/35/86/384083586.db2.gz ZGLOOFZDWDJHCH-JOYOIKCWSA-N -1 0 228.288 1.872 50 0 BDAARM CCc1ccc(CN(C)CC(=O)[O-])nc1 ZINC000067847787 384055212 /nfs/dbraw/zinc/05/52/12/384055212.db2.gz LOABVSKCQRHGDG-UHFFFAOYSA-N -1 0 208.261 1.160 50 0 BDAARM COC(=O)[C@H]1C[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000091302222 384116185 /nfs/dbraw/zinc/11/61/85/384116185.db2.gz CNRLZWCRQCKPSD-UWVGGRQHSA-N -1 0 220.224 1.661 50 0 BDAARM CN(C)c1cc(C(=O)[O-])nc2ccccc21 ZINC000071025495 384148032 /nfs/dbraw/zinc/14/80/32/384148032.db2.gz KPHFFKJCJLJIPB-UHFFFAOYSA-N -1 0 216.240 1.999 50 0 BDAARM O=C([O-])CCCNC(=O)c1ccccc1Cl ZINC000002683967 384177372 /nfs/dbraw/zinc/17/73/72/384177372.db2.gz DIHHUKVWXKEHDJ-UHFFFAOYSA-N -1 0 241.674 1.935 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1S(C)(=O)=O ZINC000042684413 384237234 /nfs/dbraw/zinc/23/72/34/384237234.db2.gz JVBNILACPMFONW-UHFFFAOYSA-N -1 0 214.242 1.097 50 0 BDAARM Cc1[nH]nc(-c2ccco2)c1CC(=O)[O-] ZINC000072324016 384209019 /nfs/dbraw/zinc/20/90/19/384209019.db2.gz FZNXDRSTCRHWAD-UHFFFAOYSA-N -1 0 206.201 1.605 50 0 BDAARM Cc1cc(C)cc(NC(=O)CC(=O)[O-])c1 ZINC000009304543 384243426 /nfs/dbraw/zinc/24/34/26/384243426.db2.gz KJYGFBJUJJOUQR-UHFFFAOYSA-N -1 0 207.229 1.717 50 0 BDAARM O=C([O-])CCCn1cc(Br)cn1 ZINC000012357814 384313357 /nfs/dbraw/zinc/31/33/57/384313357.db2.gz KBDNPXBZZYBXDA-UHFFFAOYSA-N -1 0 233.065 1.510 50 0 BDAARM CC(C)C[C@H](C(=O)[O-])n1cccc1C=O ZINC000012404608 384319810 /nfs/dbraw/zinc/31/98/10/384319810.db2.gz IFNRDWSKKNGFGN-SNVBAGLBSA-N -1 0 209.245 1.972 50 0 BDAARM C[C@@H](NC(=O)/C=C\C(=O)[O-])c1ccccc1 ZINC000100093467 384287422 /nfs/dbraw/zinc/28/74/22/384287422.db2.gz YBCNEBVTRKGSFM-UFGYOYAJSA-N -1 0 219.240 1.505 50 0 BDAARM Cc1csc(CN(C)Cc2n[n-]c(=O)o2)n1 ZINC000408525491 384289622 /nfs/dbraw/zinc/28/96/22/384289622.db2.gz IJSHKRPDTAPFQN-UHFFFAOYSA-N -1 0 240.288 1.172 50 0 BDAARM CC(=O)C1=C([O-])c2cc(C)ccc2OC1 ZINC000100247935 384294319 /nfs/dbraw/zinc/29/43/19/384294319.db2.gz HAVQQQCFUHSSCA-JTQLQIEISA-N -1 0 204.225 1.775 50 0 BDAARM O=C([O-])COc1ccc(Cl)c(F)c1 ZINC000075880733 384344754 /nfs/dbraw/zinc/34/47/54/384344754.db2.gz MJANPPVGNVZMAI-UHFFFAOYSA-N -1 0 204.584 1.943 50 0 BDAARM O=C([O-])c1cc(O)c(Br)cc1F ZINC000095080311 384359196 /nfs/dbraw/zinc/35/91/96/384359196.db2.gz YJWYQJFRTMPNFX-UHFFFAOYSA-N -1 0 235.008 1.992 50 0 BDAARM CC[C@@H](C)[C@H](C)C(=O)Nc1nc(OC)n[nH]1 ZINC000097079780 384323781 /nfs/dbraw/zinc/32/37/81/384323781.db2.gz UCPMDNYUOVGZEZ-RQJHMYQMSA-N -1 0 226.280 1.434 50 0 BDAARM O=Cc1cccc(I)c1[O-] ZINC000095932450 384410921 /nfs/dbraw/zinc/41/09/21/384410921.db2.gz HWJJTWWMMHEEAK-UHFFFAOYSA-N -1 0 248.019 1.809 50 0 BDAARM O=C([O-])C1CCN(c2nc3ncccc3o2)CC1 ZINC000014987851 384411391 /nfs/dbraw/zinc/41/13/91/384411391.db2.gz GKYOKNGSKMTPCN-UHFFFAOYSA-N -1 0 247.254 1.524 50 0 BDAARM COC(=O)c1cc(=O)c2cc(F)ccc2[n-]1 ZINC000015829063 384446261 /nfs/dbraw/zinc/44/62/61/384446261.db2.gz BESDSRIEDPEFRN-UHFFFAOYSA-N -1 0 221.187 1.454 50 0 BDAARM CC(C)Cc1sc(N)nc1C(=O)[O-] ZINC000079124148 384486270 /nfs/dbraw/zinc/48/62/70/384486270.db2.gz BDBZLWWAHLRGEV-UHFFFAOYSA-N -1 0 200.263 1.622 50 0 BDAARM O=C([O-])C1(C(=O)N2CCC3(CCCC3)C2)CC1 ZINC000118995836 384517868 /nfs/dbraw/zinc/51/78/68/384517868.db2.gz YRZDAXLDGDSVKP-UHFFFAOYSA-N -1 0 237.299 1.644 50 0 BDAARM C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)[O-] ZINC000095399533 384522386 /nfs/dbraw/zinc/52/23/86/384522386.db2.gz DFRQHENAEICHIU-QMMMGPOBSA-N -1 0 223.247 1.829 50 0 BDAARM Cc1ocnc1C(=O)N[C@](C)(C(=O)[O-])C(C)C ZINC000097036316 384560572 /nfs/dbraw/zinc/56/05/72/384560572.db2.gz JRZSKEPONKHPQM-NSHDSACASA-N -1 0 240.259 1.212 50 0 BDAARM Cc1nnc([C@@H](CC(=O)[O-])c2ccccc2)o1 ZINC000019784241 384538512 /nfs/dbraw/zinc/53/85/12/384538512.db2.gz NVOUSJGEBADXGD-JTQLQIEISA-N -1 0 232.239 1.985 50 0 BDAARM C[C@H](NC(=O)Oc1ccccc1)C(=O)[O-] ZINC000019815924 384539923 /nfs/dbraw/zinc/53/99/23/384539923.db2.gz WVHCMNPROHSIQO-ZETCQYMHSA-N -1 0 209.201 1.248 50 0 BDAARM O=C([O-])c1ccc(NC(=O)[C@H]2CCCCO2)cc1 ZINC000050958940 384568173 /nfs/dbraw/zinc/56/81/73/384568173.db2.gz KDWOSBYMNHDHDI-LLVKDONJSA-N -1 0 249.266 1.892 50 0 BDAARM COCCn1cc(CC(=O)[O-])c2ccccc21 ZINC000020074441 384571074 /nfs/dbraw/zinc/57/10/74/384571074.db2.gz XCJPEBHDWADFHD-UHFFFAOYSA-N -1 0 233.267 1.915 50 0 biogenic BDAARM C[C@@H]1Cc2cccc3c2n1cc(C(=O)[O-])c3=O ZINC000020156517 384586552 /nfs/dbraw/zinc/58/65/52/384586552.db2.gz WTGRJHKPPOBGIZ-SSDOTTSWSA-N -1 0 229.235 1.817 50 0 biogenic BDAARM O=C([O-])CNC(=O)NCCC1=CCCCC1 ZINC000019978115 384567854 /nfs/dbraw/zinc/56/78/54/384567854.db2.gz CRDXEHWEZOESRN-UHFFFAOYSA-N -1 0 226.276 1.261 50 0 BDAARM O=C([O-])c1cn(Cc2ccccc2Cl)nn1 ZINC000050213488 384608358 /nfs/dbraw/zinc/60/83/58/384608358.db2.gz TVDRLUFPNNVBEC-UHFFFAOYSA-N -1 0 237.646 1.678 50 0 BDAARM CC(C)=CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000020587517 384622994 /nfs/dbraw/zinc/62/29/94/384622994.db2.gz ZSKPQMDSJZKSRG-UHFFFAOYSA-N -1 0 233.267 1.967 50 0 BDAARM CN(Cc1ccccc1)C(=O)/C=C\C(=O)[O-] ZINC000100258880 384628214 /nfs/dbraw/zinc/62/82/14/384628214.db2.gz LFWYJFPYELUEKZ-FPLPWBNLSA-N -1 0 219.240 1.286 50 0 BDAARM Cc1cc(C)cc(-n2cc(C(=O)[O-])nn2)c1 ZINC000020216587 384599650 /nfs/dbraw/zinc/59/96/50/384599650.db2.gz FVVYYAUMVQURDJ-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM O=C([O-])CCC(=O)N[C@H]1CCc2ccccc2C1 ZINC000051631257 384676606 /nfs/dbraw/zinc/67/66/06/384676606.db2.gz CIGKCBCWLPLCJN-LBPRGKRZSA-N -1 0 247.294 1.525 50 0 BDAARM O=C([O-])c1cccc(O)c1Br ZINC000082369423 384674854 /nfs/dbraw/zinc/67/48/54/384674854.db2.gz GBPZLKQDSNPABG-UHFFFAOYSA-N -1 0 217.018 1.853 50 0 BDAARM O=C([O-])Cc1cc(-c2ccccc2)n[nH]1 ZINC000072220753 384642226 /nfs/dbraw/zinc/64/22/26/384642226.db2.gz GXWFQTYQQCMEED-UHFFFAOYSA-N -1 0 202.213 1.704 50 0 BDAARM COc1cc(N)c(C(=O)[O-])cc1Br ZINC000082048621 384644770 /nfs/dbraw/zinc/64/47/70/384644770.db2.gz YTAASTFSTXYEIX-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)N(CCc2ccccc2)C1 ZINC000050919748 384651505 /nfs/dbraw/zinc/65/15/05/384651505.db2.gz YVYKNIWBPYSIRC-GFCCVEGCSA-N -1 0 247.294 1.552 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1N1C(=O)C=CC1=O ZINC000022222051 384748580 /nfs/dbraw/zinc/74/85/80/384748580.db2.gz VRQWADPDINCGPI-UHFFFAOYSA-N -1 0 231.207 1.123 50 0 BDAARM O=C([O-])[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000053943911 384811587 /nfs/dbraw/zinc/81/15/87/384811587.db2.gz GFUFVXIKRWWWKO-NSHDSACASA-N -1 0 243.266 1.683 50 0 BDAARM Cc1cccc(/C=C\C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000098052665 384926163 /nfs/dbraw/zinc/92/61/63/384926163.db2.gz LVPLENDHAUESBF-ZADCQDASSA-N -1 0 247.294 1.845 50 0 BDAARM C[C@@H](NC(=O)CCC(=O)[O-])C(=O)c1ccccc1 ZINC000057218748 384932371 /nfs/dbraw/zinc/93/23/71/384932371.db2.gz YFPBAJNPXNBYJU-SECBINFHSA-N -1 0 249.266 1.239 50 0 BDAARM CC(=O)Nc1cnn(-c2ccc(C(=O)[O-])cc2)c1 ZINC000057348073 384938551 /nfs/dbraw/zinc/93/85/51/384938551.db2.gz XBXISCDLYHKIFI-UHFFFAOYSA-N -1 0 245.238 1.529 50 0 BDAARM Cc1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])cc1 ZINC000070310747 384988931 /nfs/dbraw/zinc/98/89/31/384988931.db2.gz OQCZRTFVNCDGRP-JTQLQIEISA-N -1 0 235.283 1.978 50 0 BDAARM C[C@H](CCC(=O)[O-])NC(=O)c1ccccc1F ZINC000070309752 384990900 /nfs/dbraw/zinc/99/09/00/384990900.db2.gz OUPCXLNKCTZSKU-MRVPVSSYSA-N -1 0 239.246 1.809 50 0 BDAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)o1 ZINC000062117191 385060651 /nfs/dbraw/zinc/06/06/51/385060651.db2.gz UKQQMKNRMQNIGK-VIFPVBQESA-N -1 0 237.255 1.443 50 0 BDAARM CC(C)(C)[S@](=O)C=C([O-])c1ccccn1 ZINC000044125745 385193816 /nfs/dbraw/zinc/19/38/16/385193816.db2.gz NKLDRRLRYLDDPG-HNNXBMFYSA-N -1 0 225.313 1.812 50 0 BDAARM O=C([O-])C[C@@H]1CC(c2ccccc2)=NO1 ZINC000034481203 385281592 /nfs/dbraw/zinc/28/15/92/385281592.db2.gz MUFJHYRCIHHATF-VIFPVBQESA-N -1 0 205.213 1.654 50 0 in-man BDAARM C[C@@H]1Nc2ccc(C(=O)[O-])cc2NC(=O)[C@H]1C ZINC000157836409 385527047 /nfs/dbraw/zinc/52/70/47/385527047.db2.gz IOXGTTCBYJXFLD-BQBZGAKWSA-N -1 0 234.255 1.773 50 0 BDAARM [O-]C(O)(c1nc2ccccc2s1)C(F)(F)F ZINC000012899226 386847837 /nfs/dbraw/zinc/84/78/37/386847837.db2.gz SXPMFEYSESOCLL-UHFFFAOYSA-N -1 0 249.213 1.996 50 0 BDAARM O=C([O-])c1cc(C(F)(F)F)cnc1F ZINC000238630653 387031804 /nfs/dbraw/zinc/03/18/04/387031804.db2.gz KJXSKIXGJWRENE-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM CCOC(=O)CSC(=S)[N-]C1CC1 ZINC000006463484 387182484 /nfs/dbraw/zinc/18/24/84/387182484.db2.gz WXNZYDRHVULIBK-UHFFFAOYSA-N -1 0 219.331 1.320 50 0 BDAARM COc1ccc(COC/C=C/C(=O)[O-])cc1 ZINC000043763439 387274250 /nfs/dbraw/zinc/27/42/50/387274250.db2.gz INFKCQCLJRMSCS-NSCUHMNNSA-N -1 0 222.240 1.853 50 0 BDAARM O=C([O-])c1ccc(Nc2cncnc2)cc1 ZINC000082715712 387287644 /nfs/dbraw/zinc/28/76/44/387287644.db2.gz LWRXOZOFBWVARN-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM COC(=O)[C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000071786869 387288593 /nfs/dbraw/zinc/28/85/93/387288593.db2.gz XYGHTDSWXSMJFG-XVKPBYJWSA-N -1 0 200.234 1.441 50 0 BDAARM Cc1cc(C)c(S(=O)(=O)[O-])cc1N ZINC000001683629 177870858 /nfs/dbraw/zinc/87/08/58/177870858.db2.gz NTPCHAXHWPDMEI-UHFFFAOYSA-N -1 0 201.247 1.132 50 0 BDAARM Cc1cc(C)c(C(=O)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000237802887 177842999 /nfs/dbraw/zinc/84/29/99/177842999.db2.gz VWNKWJWWWJQOPB-VIFPVBQESA-N -1 0 237.255 1.443 50 0 BDAARM Cc1cc(C(=O)[O-])c2cc(O)ccc2n1 ZINC000000274146 177823814 /nfs/dbraw/zinc/82/38/14/177823814.db2.gz ZMFWTUBNIJBJDB-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccnc2)C1 ZINC000170622813 388261240 /nfs/dbraw/zinc/26/12/40/388261240.db2.gz PQBMVWLBQUERBG-BDAKNGLRSA-N -1 0 234.255 1.521 50 0 BDAARM Cc1n[n-]c(Nc2ccccc2F)nc1=O ZINC000008767518 388408285 /nfs/dbraw/zinc/40/82/85/388408285.db2.gz ANTLFTIRBJIKPW-UHFFFAOYSA-N -1 0 220.207 1.356 50 0 BDAARM Cc1n[n-]c(Nc2ccc(Cl)cc2)nc1=O ZINC000008767447 388408305 /nfs/dbraw/zinc/40/83/05/388408305.db2.gz CYIIHNYGHPKKKA-UHFFFAOYSA-N -1 0 236.662 1.870 50 0 BDAARM CCO[N-]C(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000040039483 388411412 /nfs/dbraw/zinc/41/14/12/388411412.db2.gz MTKJWPFALIRZSF-VIFPVBQESA-N -1 0 239.271 1.530 50 0 BDAARM CC(C)C[C@@H](NC(=O)NC1CCCC1)C(=O)[O-] ZINC000006616341 256805290 /nfs/dbraw/zinc/80/52/90/256805290.db2.gz MMHFDPOBJWIMIH-SNVBAGLBSA-N -1 0 242.319 1.728 50 0 BDAARM O=C([O-])CN(C(=O)C[C@H]1CCCCO1)C1CC1 ZINC000095031087 388589684 /nfs/dbraw/zinc/58/96/84/388589684.db2.gz BBKVIUGSIYYPKX-SNVBAGLBSA-N -1 0 241.287 1.021 50 0 BDAARM Cc1cc(C(=O)[O-])c(C)n1[C@H]1CCOC1 ZINC000087783015 388594185 /nfs/dbraw/zinc/59/41/85/388594185.db2.gz OFWBGOZIJRDZGC-VIFPVBQESA-N -1 0 209.245 1.765 50 0 BDAARM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CC(=O)[O-] ZINC000237389788 388595909 /nfs/dbraw/zinc/59/59/09/388595909.db2.gz RLAFDPNQCYDNGV-NXEZZACHSA-N -1 0 243.303 1.125 50 0 BDAARM CC(C)CCC[C@H](C)NC(=O)N[C@@H](C)C(=O)[O-] ZINC000002102842 388567715 /nfs/dbraw/zinc/56/77/15/388567715.db2.gz GWHXFWDOEAEIQW-UWVGGRQHSA-N -1 0 244.335 1.974 50 0 biogenic BDAARM CCCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000011890097 388711415 /nfs/dbraw/zinc/71/14/15/388711415.db2.gz QRHYCLBYHIKSTA-QMMMGPOBSA-N -1 0 201.266 1.402 50 0 BDAARM CC(=O)N/C(=C\c1ccc(C)cc1)C(=O)[O-] ZINC000002455547 388729044 /nfs/dbraw/zinc/72/90/44/388729044.db2.gz XLKTTWGSTMQVIL-XFFZJAGNSA-N -1 0 219.240 1.557 50 0 BDAARM CC(=O)N(CC(=O)[O-])c1ccc(F)cc1 ZINC000002544908 388836274 /nfs/dbraw/zinc/83/62/74/388836274.db2.gz JLPNGLJHJLOCCZ-UHFFFAOYSA-N -1 0 211.192 1.263 50 0 BDAARM O=C([O-])CNc1cccc(C(=O)N2CC=CC2)c1 ZINC000055575722 388840691 /nfs/dbraw/zinc/84/06/91/388840691.db2.gz XGVWOSLCOVMUNC-UHFFFAOYSA-N -1 0 246.266 1.195 50 0 BDAARM O=C([O-])c1ccc(N2C(=O)CCCC2=O)cc1 ZINC000002281706 132314738 /nfs/dbraw/zinc/31/47/38/132314738.db2.gz XITYSEZIYHNZCV-UHFFFAOYSA-N -1 0 233.223 1.428 50 0 BDAARM CC[C@H](C(=O)[O-])N1c2ccccc2O[C@H](C)C1=O ZINC000005185111 132317358 /nfs/dbraw/zinc/31/73/58/132317358.db2.gz PHHQPAMCZCDDGC-RKDXNWHRSA-N -1 0 249.266 1.664 50 0 BDAARM O=C([O-])c1cccc(N2CCCCC2)n1 ZINC000012370231 132321149 /nfs/dbraw/zinc/32/11/49/132321149.db2.gz ZBNWTBPSTOBOGV-UHFFFAOYSA-N -1 0 206.245 1.770 50 0 BDAARM Cc1ccccc1-n1c(=O)cc([O-])[nH]c1=S ZINC000012395123 132321399 /nfs/dbraw/zinc/32/13/99/132321399.db2.gz NPFGZOYYBFVWAE-UHFFFAOYSA-N -1 0 234.280 1.544 50 0 BDAARM O=C([O-])[C@@H]1CN(C(=O)C2CC2)c2ccccc2O1 ZINC000013434759 132321605 /nfs/dbraw/zinc/32/16/05/132321605.db2.gz SPJOVUDQIZMHBO-NSHDSACASA-N -1 0 247.250 1.275 50 0 BDAARM Cc1cncc(N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000014989029 132322641 /nfs/dbraw/zinc/32/26/41/132322641.db2.gz TTWSTFTZNIMXTA-SECBINFHSA-N -1 0 221.260 1.086 50 0 BDAARM CC[C@H]1Oc2ccccc2N(CCC(=O)[O-])C1=O ZINC000019951796 132329090 /nfs/dbraw/zinc/32/90/90/132329090.db2.gz KFZKGFNYRSTFLB-SNVBAGLBSA-N -1 0 249.266 1.665 50 0 BDAARM O=C([O-])CCc1ccccc1N1CCOCC1 ZINC000020269652 132330776 /nfs/dbraw/zinc/33/07/76/132330776.db2.gz HGJPWNIWHQPMPY-UHFFFAOYSA-N -1 0 235.283 1.540 50 0 BDAARM C[C@@H]1CN(c2ccc(C(=O)[O-])cn2)C[C@@H](C)O1 ZINC000020283768 132331088 /nfs/dbraw/zinc/33/10/88/132331088.db2.gz ZABGXMCXGREUAJ-RKDXNWHRSA-N -1 0 236.271 1.393 50 0 BDAARM CCn1nc(C(=O)[O-])c(Br)c1C ZINC000259380225 135142892 /nfs/dbraw/zinc/14/28/92/135142892.db2.gz RCQUVIHWYWSLJR-UHFFFAOYSA-N -1 0 233.065 1.672 50 0 BDAARM CC[C@]1(C)C[C@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000263524786 135357845 /nfs/dbraw/zinc/35/78/45/135357845.db2.gz JFYQWWQUWVINFI-AXTRIDKLSA-N -1 0 243.278 1.448 50 0 BDAARM Cc1ccc2[nH]c(C(=O)[O-])c(C=O)c2c1 ZINC000004384210 397924671 /nfs/dbraw/zinc/92/46/71/397924671.db2.gz BMVNZBKQRRYJSV-UHFFFAOYSA-N -1 0 203.197 1.987 50 0 BDAARM O=C([O-])CNC(=O)c1c(F)cccc1Cl ZINC000004377435 397924720 /nfs/dbraw/zinc/92/47/20/397924720.db2.gz ZFEUSPILIYJEFJ-UHFFFAOYSA-N -1 0 231.610 1.294 50 0 BDAARM Clc1ccccc1OCc1nnn[n-]1 ZINC000004728181 397925859 /nfs/dbraw/zinc/92/58/59/397925859.db2.gz QXXWYYZZLHSBJK-UHFFFAOYSA-N -1 0 210.624 1.432 50 0 in-vitro BDAARM O=C([O-])c1cccc(Nc2cccnc2)n1 ZINC000051041829 398054187 /nfs/dbraw/zinc/05/41/87/398054187.db2.gz WIWXXIFSMOLXPI-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM CC(C)COC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000000260470 167020638 /nfs/dbraw/zinc/02/06/38/167020638.db2.gz HSNCMAULVXJUDZ-MRVPVSSYSA-N -1 0 215.249 1.328 50 0 BDAARM CCc1cc2c(ncnc2CC(=O)[O-])s1 ZINC000126383378 322890725 /nfs/dbraw/zinc/89/07/25/322890725.db2.gz GEFRLAQBBOPEAJ-UHFFFAOYSA-N -1 0 222.269 1.881 50 0 BDAARM CC(C)(CC(=O)[O-])NC(=O)c1cccc(F)c1 ZINC000082242217 487580416 /nfs/dbraw/zinc/58/04/16/487580416.db2.gz AMLVFLKHUNGJFC-UHFFFAOYSA-N -1 0 239.246 1.809 50 0 BDAARM C/C(=C/C(=O)NCc1ccccc1)C(=O)[O-] ZINC000000276734 166231976 /nfs/dbraw/zinc/23/19/76/166231976.db2.gz JHMJFXNHTIZANZ-CLFYSBASSA-N -1 0 219.240 1.334 50 0 BDAARM CC(C)(C)OC(=O)NCC1(C(=O)[O-])CC1 ZINC000002540499 166659674 /nfs/dbraw/zinc/65/96/74/166659674.db2.gz UGPTVCJIZPFGLU-UHFFFAOYSA-N -1 0 215.249 1.376 50 0 BDAARM CC(C)OCCOc1ccc(C(=O)[O-])cn1 ZINC000019280564 167248250 /nfs/dbraw/zinc/24/82/50/167248250.db2.gz LXSGSRFZFRXXKN-UHFFFAOYSA-N -1 0 225.244 1.584 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000111403447 411168202 /nfs/dbraw/zinc/16/82/02/411168202.db2.gz GMGUGHYTCXOLEX-BXKDBHETSA-N -1 0 247.294 1.700 50 0 BDAARM CC1(C)CC(C(=O)[O-])CC(C)(C)N1O ZINC000100030119 167886160 /nfs/dbraw/zinc/88/61/60/167886160.db2.gz CYQGCJQJIOARKD-UHFFFAOYSA-N -1 0 200.258 1.686 50 0 BDAARM Cc1cc(=O)n(-c2ccc(Cl)nn2)[n-]1 ZINC000005523928 168133871 /nfs/dbraw/zinc/13/38/71/168133871.db2.gz HDASDUGTBNZTRH-UHFFFAOYSA-N -1 0 210.624 1.243 50 0 BDAARM Cc1cc(=O)n(-c2ccc(C(=O)[O-])c(N)c2)[nH]1 ZINC000001125800 168134704 /nfs/dbraw/zinc/13/47/04/168134704.db2.gz SBMYEIMIYRGZDX-UHFFFAOYSA-N -1 0 233.227 1.080 50 0 BDAARM CCC(=O)N1CCc2c1cccc2C(=O)[O-] ZINC000169676805 168225435 /nfs/dbraw/zinc/22/54/35/168225435.db2.gz UCQSYXASCNMJGO-UHFFFAOYSA-N -1 0 219.240 1.684 50 0 BDAARM CCONC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118761169 411400617 /nfs/dbraw/zinc/40/06/17/411400617.db2.gz ADNWWPAZPDXZAW-UHFFFAOYSA-N -1 0 238.268 1.798 50 0 BDAARM CCN1Cc2cccc(C(=O)[O-])c2C1=O ZINC000006737225 170040553 /nfs/dbraw/zinc/04/05/53/170040553.db2.gz ACMIDQFSQCNVRL-UHFFFAOYSA-N -1 0 205.213 1.361 50 0 BDAARM CCNC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000026475225 170074983 /nfs/dbraw/zinc/07/49/83/170074983.db2.gz QUIJHCRXBYRZML-BBBLOLIVSA-N -1 0 240.303 1.434 50 0 BDAARM CCOC(=O)c1c[n-]c2cc(F)ccc2c1=O ZINC000016697955 170290205 /nfs/dbraw/zinc/29/02/05/170290205.db2.gz LDZCUWZFXKDMHH-UHFFFAOYSA-N -1 0 235.214 1.844 50 0 BDAARM CCOc1c(F)ccc(CC(=O)[O-])c1F ZINC000038529954 170514611 /nfs/dbraw/zinc/51/46/11/170514611.db2.gz LVXUUVBVJDEIQZ-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM CCOc1nc2ccccc2nc1C(=O)[O-] ZINC000039100490 170603970 /nfs/dbraw/zinc/60/39/70/170603970.db2.gz NEBLBCLYWNCQIH-UHFFFAOYSA-N -1 0 218.212 1.727 50 0 BDAARM CC[C@H](C(=O)[O-])n1cc(N)c(C(F)(F)F)n1 ZINC000012399114 171238239 /nfs/dbraw/zinc/23/82/39/171238239.db2.gz ITISNELBHGXFPF-RXMQYKEDSA-N -1 0 237.181 1.520 50 0 BDAARM CC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000010120477 171335301 /nfs/dbraw/zinc/33/53/01/171335301.db2.gz WMPANUWJMFSCAC-GUBZILKMSA-N -1 0 227.304 1.792 50 0 BDAARM CC[C@H](C)[C@@H](NC(=O)[C@H]1CCCCO1)C(=O)[O-] ZINC000250286218 171373419 /nfs/dbraw/zinc/37/34/19/171373419.db2.gz LGGVWDHSBIKDOX-IVZWLZJFSA-N -1 0 243.303 1.171 50 0 BDAARM CCc1oc(C(=O)[O-])cc1CN1CCOCC1 ZINC000000814649 172111649 /nfs/dbraw/zinc/11/16/49/172111649.db2.gz RVBGZXGBRRABJE-UHFFFAOYSA-N -1 0 239.271 1.372 50 0 BDAARM CCc1sc(C(=O)NCC(=O)[O-])cc1C ZINC000012804094 172128640 /nfs/dbraw/zinc/12/86/40/172128640.db2.gz SVYFGWDSLMBOCV-UHFFFAOYSA-N -1 0 227.285 1.433 50 0 BDAARM CCn1cc(-c2cc(C(=O)[O-])on2)cn1 ZINC000002538063 172148519 /nfs/dbraw/zinc/14/85/19/172148519.db2.gz QPEZKZWHJPOPDX-UHFFFAOYSA-N -1 0 207.189 1.256 50 0 BDAARM CCn1cc(C([O-])=CC(=O)C(F)F)c(C)n1 ZINC000100497198 172150898 /nfs/dbraw/zinc/15/08/98/172150898.db2.gz VFSPXYNPLXLOFE-UHFFFAOYSA-N -1 0 230.214 1.618 50 0 BDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(OC)ccc21 ZINC000000242386 172156636 /nfs/dbraw/zinc/15/66/36/172156636.db2.gz YTWMJESCVWECIP-UHFFFAOYSA-N -1 0 247.250 1.728 50 0 BDAARM CCn1cnnc1-c1ccc(C(=O)[O-])cc1 ZINC000061811296 172232779 /nfs/dbraw/zinc/23/27/79/172232779.db2.gz XQHFXHJFQUJJHJ-UHFFFAOYSA-N -1 0 217.228 1.663 50 0 BDAARM CN(C)C(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000020227631 172390320 /nfs/dbraw/zinc/39/03/20/172390320.db2.gz LUUUNFWTGCWVCF-UHFFFAOYSA-N -1 0 221.256 1.406 50 0 BDAARM CN(CCC(=O)[O-])C(=O)OCc1ccccc1 ZINC000002389675 172670791 /nfs/dbraw/zinc/67/07/91/172670791.db2.gz JOAXIARPFFSPAS-UHFFFAOYSA-N -1 0 237.255 1.730 50 0 BDAARM CNC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000000469678 173317106 /nfs/dbraw/zinc/31/71/06/173317106.db2.gz ODHWMFCPGPDGOA-UHFFFAOYSA-N -1 0 210.258 1.301 50 0 BDAARM CNc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000020442450 173488592 /nfs/dbraw/zinc/48/85/92/173488592.db2.gz MMUYGOGRGAVAMQ-UHFFFAOYSA-N -1 0 230.227 1.279 50 0 BDAARM COC(=O)c1ccc(Cn2cccc2C(=O)[O-])o1 ZINC000085863813 173879989 /nfs/dbraw/zinc/87/99/89/173879989.db2.gz MAIORNUEFNWVIZ-UHFFFAOYSA-N -1 0 249.222 1.614 50 0 BDAARM COCCOc1cccc(/C=C\C(=O)[O-])c1 ZINC000096102397 174370165 /nfs/dbraw/zinc/37/01/65/174370165.db2.gz MZENHHUDINQIFT-WAYWQWQTSA-N -1 0 222.240 1.810 50 0 BDAARM CO[N-]C(=O)CSc1nccn1C(C)(C)C ZINC000121258698 174663541 /nfs/dbraw/zinc/66/35/41/174663541.db2.gz ARYYDOYEFLICIM-UHFFFAOYSA-N -1 0 243.332 1.408 50 0 BDAARM COc1c(Br)cnc(N)c1C(=O)[O-] ZINC000095836397 174918263 /nfs/dbraw/zinc/91/82/63/174918263.db2.gz RBUXLKSMJCCIDN-UHFFFAOYSA-N -1 0 247.048 1.133 50 0 BDAARM COc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000003882498 175030683 /nfs/dbraw/zinc/03/06/83/175030683.db2.gz VHWPBROOEIJLIW-UHFFFAOYSA-N -1 0 218.212 1.784 50 0 BDAARM COc1ccc(-c2cc(C(=O)[O-])[nH]c(=O)n2)cc1 ZINC000007952211 175030706 /nfs/dbraw/zinc/03/07/06/175030706.db2.gz KUWOVYHFOPQTGG-UHFFFAOYSA-N -1 0 246.222 1.144 50 0 BDAARM COc1ccc(C)cc1NC(=O)CCC(=O)[O-] ZINC000000145097 175077370 /nfs/dbraw/zinc/07/73/70/175077370.db2.gz QPXUVYIRJAFVLL-UHFFFAOYSA-N -1 0 237.255 1.807 50 0 BDAARM COc1ccc(C)cc1NC(=O)/C=C/C(=O)[O-] ZINC000002143637 175077483 /nfs/dbraw/zinc/07/74/83/175077483.db2.gz SDPZPTWZENTROE-AATRIKPKSA-N -1 0 235.239 1.583 50 0 BDAARM COc1ccc(C)cc1[C@H](O)CCC(=O)[O-] ZINC000004939553 175082086 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/nfs/dbraw/zinc/77/84/80/342778480.db2.gz DNWZTFHOHNSPKH-UHFFFAOYSA-N -1 0 222.273 1.350 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])[NH+]1Cc1ccccc1 ZINC000006529518 342778816 /nfs/dbraw/zinc/77/88/16/342778816.db2.gz QREMUNONTQIPQO-QWRGUYRKSA-N -1 0 249.266 1.189 50 0 BDAARM Cc1cnn(Cc2n[nH]c(=S)n2C)c1 ZINC000002789869 342793426 /nfs/dbraw/zinc/79/34/26/342793426.db2.gz CTXXMOWLTNROJO-UHFFFAOYSA-N -1 0 209.278 1.031 50 0 BDAARM O=C([O-])c1cnc2cc(F)c(F)cc2c1O ZINC000009379565 342814607 /nfs/dbraw/zinc/81/46/07/342814607.db2.gz URJLZNXCWLEREY-UHFFFAOYSA-N -1 0 225.150 1.505 50 0 BDAARM Cc1nc(CN2CCC(C(=O)[O-])CC2)cs1 ZINC000009690930 342824593 /nfs/dbraw/zinc/82/45/93/342824593.db2.gz KOKFIDGUSIUQIO-UHFFFAOYSA-N -1 0 240.328 1.748 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](c2cc(F)ccc2F)N1 ZINC000011766292 342843141 /nfs/dbraw/zinc/84/31/41/342843141.db2.gz MYTWAZGPELUBSV-IUCAKERBSA-N -1 0 245.250 1.753 50 0 BDAARM COc1c(F)cc(F)cc1CC(=O)[O-] ZINC000012359272 342849764 /nfs/dbraw/zinc/84/97/64/342849764.db2.gz ZGQFCTIILPHXJN-UHFFFAOYSA-N -1 0 202.156 1.601 50 0 BDAARM Cc1ccc([C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC000012398972 342851311 /nfs/dbraw/zinc/85/13/11/342851311.db2.gz VMLYHAMUXCKCLJ-SNVBAGLBSA-N -1 0 205.213 1.897 50 0 BDAARM COC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004350156 342854777 /nfs/dbraw/zinc/85/47/77/342854777.db2.gz VWOSZDXAKCVIJH-IUCAKERBSA-N -1 0 212.245 1.607 50 0 BDAARM O=C([O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000011890604 342843947 /nfs/dbraw/zinc/84/39/47/342843947.db2.gz XRKSEEMBEXHDLZ-JTQLQIEISA-N -1 0 219.240 1.120 50 0 BDAARM C/C=C(\C)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000308895354 342875624 /nfs/dbraw/zinc/87/56/24/342875624.db2.gz ZDZTUCVBXIMEBN-IPQKIJNHSA-N -1 0 211.261 1.418 50 0 BDAARM CO[N-]C(=O)COc1ccc(C)cc1C ZINC000032903575 342899016 /nfs/dbraw/zinc/89/90/16/342899016.db2.gz DYQYGRSCBWKZKQ-UHFFFAOYSA-N -1 0 209.245 1.360 50 0 BDAARM NNc1nnc2c3cc(Cl)ccc3nc-2[n-]1 ZINC000014987800 342890476 /nfs/dbraw/zinc/89/04/76/342890476.db2.gz DEOJXQFFALYZBR-UHFFFAOYSA-N -1 0 234.650 1.445 50 0 BDAARM CCc1ccc(-n2nncc2CC(=O)[O-])cc1 ZINC000011888177 346878492 /nfs/dbraw/zinc/87/84/92/346878492.db2.gz RKQNJUSTVGHGOL-UHFFFAOYSA-N -1 0 231.255 1.457 50 0 BDAARM O=C([O-])/C=C/c1cccc2c1OCCO2 ZINC000004028612 398327982 /nfs/dbraw/zinc/32/79/82/398327982.db2.gz FMTGNGBHGBNWFS-SNAWJCMRSA-N -1 0 206.197 1.556 50 0 biogenic BDAARM Cc1ccc(CNC(=O)C2(C(=O)[O-])CC2)c(C)c1 ZINC000154785212 398339014 /nfs/dbraw/zinc/33/90/14/398339014.db2.gz JHJGQCHTWRFXPH-UHFFFAOYSA-N -1 0 247.294 1.784 50 0 BDAARM O=C([O-])c1cc(=O)[nH]c2ccc(F)cc21 ZINC000019088402 342941284 /nfs/dbraw/zinc/94/12/84/342941284.db2.gz LJWTUAHUOKMKCZ-UHFFFAOYSA-N -1 0 207.160 1.365 50 0 BDAARM O=C([O-])Cn1cnc(-c2ccc(F)cc2)c1 ZINC000000346186 398333612 /nfs/dbraw/zinc/33/36/12/398333612.db2.gz GTDZYNSXJFQTDJ-UHFFFAOYSA-N -1 0 220.203 1.774 50 0 BDAARM O=C([O-])[C@@H](Cc1c[nH]cn1)n1cccc1 ZINC000019255983 342944472 /nfs/dbraw/zinc/94/44/72/342944472.db2.gz XTGWWGRMXKSWQM-SECBINFHSA-N -1 0 205.217 1.080 50 0 BDAARM O=C([O-])[C@H]1CCCN1c1ncnc2sccc21 ZINC000020285325 342980582 /nfs/dbraw/zinc/98/05/82/342980582.db2.gz SNQHAQGRGDHJFK-MRVPVSSYSA-N -1 0 249.295 1.745 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)C1CCCC1 ZINC000020285020 342980613 /nfs/dbraw/zinc/98/06/13/342980613.db2.gz AJEBWVIODHBWMC-SECBINFHSA-N -1 0 211.261 1.252 50 0 BDAARM O=C([O-])c1ccc(CN2CCCCC2=O)cc1 ZINC000020295887 342981270 /nfs/dbraw/zinc/98/12/70/342981270.db2.gz HPJMPDRAOPTWDC-UHFFFAOYSA-N -1 0 233.267 1.897 50 0 BDAARM O=C([O-])[C@H]1CCN(c2cccc(F)c2)C1 ZINC000020357893 342983584 /nfs/dbraw/zinc/98/35/84/342983584.db2.gz GLBREGGOOWJRED-QMMMGPOBSA-N -1 0 209.220 1.737 50 0 BDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(C)cc1 ZINC000022129944 343040968 /nfs/dbraw/zinc/04/09/68/343040968.db2.gz NGKNKSOOFHUJQF-WCQYABFASA-N -1 0 247.294 1.989 50 0 BDAARM Cc1occc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000022143633 343042193 /nfs/dbraw/zinc/04/21/93/343042193.db2.gz BEGSDUDKWCWBQG-SNVBAGLBSA-N -1 0 237.255 1.667 50 0 BDAARM C[C@@H]1[C@H](CCC(=O)[O-])[C@H](C)Nc2ccnn21 ZINC000584879992 343080333 /nfs/dbraw/zinc/08/03/33/343080333.db2.gz CBMOPDGKSHYFHW-DJLDLDEBSA-N -1 0 223.276 1.739 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccncc1 ZINC000062742024 346927521 /nfs/dbraw/zinc/92/75/21/346927521.db2.gz MUABPIZKVCDYFY-UHFFFAOYSA-N -1 0 236.271 1.264 50 0 BDAARM O=C1[N-]C(=O)[C@]2(CCc3ccccc32)O1 ZINC000029240050 343136962 /nfs/dbraw/zinc/13/69/62/343136962.db2.gz MTKSAHMQKUSQJR-LLVKDONJSA-N -1 0 203.197 1.095 50 0 BDAARM CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)[O-] ZINC000032628536 343239036 /nfs/dbraw/zinc/23/90/36/343239036.db2.gz VEIYKHIPSJIVRK-QMMMGPOBSA-N -1 0 241.287 1.861 50 0 BDAARM O=C([O-])c1ccc2c3[nH][nH]c(=O)c3cnc2c1 ZINC000034017407 343263677 /nfs/dbraw/zinc/26/36/77/343263677.db2.gz GTZCYAUWGRFDTI-UHFFFAOYSA-N -1 0 229.195 1.515 50 0 BDAARM CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)[O-] ZINC000034310312 343268040 /nfs/dbraw/zinc/26/80/40/343268040.db2.gz SSYLTDCVONDKNS-QMMMGPOBSA-N -1 0 227.260 1.637 50 0 BDAARM O=C([O-])c1cccc(=O)n1OCc1ccccc1 ZINC000034558701 343274714 /nfs/dbraw/zinc/27/47/14/343274714.db2.gz CIUDQXNWTGQYIC-UHFFFAOYSA-N -1 0 245.234 1.175 50 0 BDAARM CCN(CC)C(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000034926442 343280477 /nfs/dbraw/zinc/28/04/77/343280477.db2.gz SVBVVSCJEKVQRD-HTQZYQBOSA-N -1 0 213.277 1.212 50 0 BDAARM Nc1c(F)ccc(Br)c1C(=O)[O-] ZINC000036752561 343323481 /nfs/dbraw/zinc/32/34/81/343323481.db2.gz VZFVWAWYEGYHJI-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1C=CC=C(C(=O)[O-])C1 ZINC000038528638 343375932 /nfs/dbraw/zinc/37/59/32/343375932.db2.gz RZUNIWMPWYOJSR-SECBINFHSA-N -1 0 239.271 1.851 50 0 BDAARM O=C([O-])c1ncccc1OCc1ccncc1 ZINC000042393844 343436490 /nfs/dbraw/zinc/43/64/90/343436490.db2.gz HFELRJZBBDZWEC-UHFFFAOYSA-N -1 0 230.223 1.754 50 0 BDAARM O=C([O-])c1nn(Cc2ccccc2)nc1Cl ZINC000043191118 343465299 /nfs/dbraw/zinc/46/52/99/343465299.db2.gz BCKOLQGUEQNBOG-UHFFFAOYSA-N -1 0 237.646 1.678 50 0 BDAARM O=C([O-])c1cccc(Oc2cnccn2)c1 ZINC000048802201 343588111 /nfs/dbraw/zinc/58/81/11/343588111.db2.gz WGJMHXFXZDFTOP-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM [NH3+][C@H](C(=O)[O-])c1ccc(CCCC(=O)[O-])s1 ZINC000000518738 346959761 /nfs/dbraw/zinc/95/97/61/346959761.db2.gz FAGCMZWUGYFFLT-VIFPVBQESA-N -1 0 243.284 1.240 50 0 biogenic BDAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1nccs1 ZINC000000544775 346996135 /nfs/dbraw/zinc/99/61/35/346996135.db2.gz XBVSCWDDCLBNGM-ZCFIWIBFSA-N -1 0 228.273 1.583 50 0 BDAARM O=C([O-])C[C@@H]1CCC2(CCOCC2)CO1 ZINC000585139467 344151960 /nfs/dbraw/zinc/15/19/60/344151960.db2.gz JXSFVFCLQZFQPF-VIFPVBQESA-N -1 0 214.261 1.437 50 0 BDAARM CC(C)c1ccc(/C=C2/NC(=O)[N-]C2=O)cc1 ZINC000000073876 344236424 /nfs/dbraw/zinc/23/64/24/344236424.db2.gz BURKMABBGWIRER-YRNVUSSQSA-N -1 0 230.267 1.990 50 0 BDAARM COC[C@H]1C[C@]1(C(=O)[O-])c1ccccc1 ZINC000072233318 344518664 /nfs/dbraw/zinc/51/86/64/344518664.db2.gz AKJQYQQOUSQYDX-PWSUYJOCSA-N -1 0 206.241 1.675 50 0 BDAARM C[C@@H](NC(=O)OC(C)(C)C)c1n[n-]c(=S)o1 ZINC000005954533 537867309 /nfs/dbraw/zinc/86/73/09/537867309.db2.gz YXKPNCFZPSYTBZ-RXMQYKEDSA-N -1 0 245.304 1.944 50 0 BDAARM Cc1ccc(S(=O)(=O)CCC(=O)[O-])cc1C ZINC000000266359 178823588 /nfs/dbraw/zinc/82/35/88/178823588.db2.gz BQBZVJSVOQMDRC-UHFFFAOYSA-N -1 0 242.296 1.552 50 0 BDAARM CCCC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000071728369 168535948 /nfs/dbraw/zinc/53/59/48/168535948.db2.gz HDFFIFOXIPPEBO-MRVPVSSYSA-N -1 0 213.277 1.498 50 0 BDAARM Cc1ccc2c(c1)[nH]c(=O)cc2C(=O)[O-] ZINC000014987943 178938615 /nfs/dbraw/zinc/93/86/15/178938615.db2.gz AULKBFNQBDLVGF-UHFFFAOYSA-N -1 0 203.197 1.535 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](/C=C/c2ccccc2)N1 ZINC000005515241 346245986 /nfs/dbraw/zinc/24/59/86/346245986.db2.gz AVCZCIMDECJOPA-FQLSZKSXSA-N -1 0 235.308 1.816 50 0 BDAARM Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)[O-])c1 ZINC000000395892 179070839 /nfs/dbraw/zinc/07/08/39/179070839.db2.gz HJBLZCOSFUVQTG-LLVKDONJSA-N -1 0 233.267 1.571 50 0 BDAARM Cc1cccc(CN2CCN(CC(=O)[O-])C2=O)c1 ZINC000000215744 179075547 /nfs/dbraw/zinc/07/55/47/179075547.db2.gz XKSRCHIZMWYGMZ-UHFFFAOYSA-N -1 0 248.282 1.317 50 0 BDAARM Cc1cccc(N2CC[C@@H](C(=O)[O-])C2=O)c1 ZINC000006860342 179122878 /nfs/dbraw/zinc/12/28/78/179122878.db2.gz CDYNQYZODLGTJT-SNVBAGLBSA-N -1 0 219.240 1.433 50 0 BDAARM CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1C(=O)[O-] ZINC000038917357 346726216 /nfs/dbraw/zinc/72/62/16/346726216.db2.gz ZVABYODYESELSO-NKWVEPMBSA-N -1 0 215.249 1.232 50 0 BDAARM CCS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000009609123 346740520 /nfs/dbraw/zinc/74/05/20/346740520.db2.gz RVZCBJYTEIAXPK-UHFFFAOYSA-N -1 0 243.284 1.144 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2cccc3[nH]ccc32)N1 ZINC000013572922 362786002 /nfs/dbraw/zinc/78/60/02/362786002.db2.gz ROGPMJUBRBCGPW-GHMZBOCLSA-N -1 0 248.307 1.956 50 0 BDAARM Cc1ccccc1-n1ccc(=O)c(C(=O)[O-])n1 ZINC000009484952 179241100 /nfs/dbraw/zinc/24/11/00/179241100.db2.gz NWQSUHQWQVRVCE-UHFFFAOYSA-N -1 0 230.223 1.239 50 0 BDAARM Cc1ccccc1C1=NO[C@H](C(=O)[O-])C1 ZINC000020594078 179256523 /nfs/dbraw/zinc/25/65/23/179256523.db2.gz LGUIIQKRAPDXBD-JTQLQIEISA-N -1 0 205.213 1.573 50 0 BDAARM Cc1ccccc1NC(=O)CSCC(=O)[O-] ZINC000000286046 179299369 /nfs/dbraw/zinc/29/93/69/179299369.db2.gz DSBJVZZRHZYWMI-UHFFFAOYSA-N -1 0 239.296 1.751 50 0 BDAARM Cc1ccccc1[C@H]1CN(CC(=O)[O-])[C@@H](C)CO1 ZINC000237702449 179348684 /nfs/dbraw/zinc/34/86/84/179348684.db2.gz MFDZMLKUMXJPBO-WCQYABFASA-N -1 0 249.310 1.841 50 0 BDAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC(=O)[O-] ZINC000237678869 179349620 /nfs/dbraw/zinc/34/96/20/179349620.db2.gz MZJJRBCLBRGHRX-MNOVXSKESA-N -1 0 233.267 1.299 50 0 BDAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)NCC(=O)[O-] ZINC000237682902 179351349 /nfs/dbraw/zinc/35/13/49/179351349.db2.gz MZJJRBCLBRGHRX-GHMZBOCLSA-N -1 0 233.267 1.299 50 0 BDAARM Cc1cc(C(=O)[O-])ncc1Br ZINC000040448813 187428796 /nfs/dbraw/zinc/42/87/96/187428796.db2.gz RMSVDYVOLGRLNJ-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM CC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000034515547 190985348 /nfs/dbraw/zinc/98/53/48/190985348.db2.gz ZJIZUFMFTHQLAZ-UHFFFAOYSA-N -1 0 214.604 1.964 50 0 BDAARM O=C([O-])C1(C(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000090993988 191002838 /nfs/dbraw/zinc/00/28/38/191002838.db2.gz SFRPBYGGUWUOHJ-JTQLQIEISA-N -1 0 245.278 1.307 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)C[C@H]1c1ccccc1 ZINC000016887605 362948577 /nfs/dbraw/zinc/94/85/77/362948577.db2.gz MRQNYXGJZLWYHT-WDEREUQCSA-N -1 0 204.225 1.834 50 0 BDAARM Cc1nc(N2CCCC2)sc1C(=O)[O-] ZINC000012243773 180000609 /nfs/dbraw/zinc/00/06/09/180000609.db2.gz BDGXYESYCPEQEQ-UHFFFAOYSA-N -1 0 212.274 1.750 50 0 BDAARM O=c1cc(CSc2ccccc2)[nH]c(=O)[nH]1 ZINC000005774833 350118820 /nfs/dbraw/zinc/11/88/20/350118820.db2.gz XSGHMXINBLPMKB-UHFFFAOYSA-N -1 0 234.280 1.356 50 0 BDAARM COc1ccc(CC(=O)[O-])c(C(F)(F)F)n1 ZINC000309182138 350121962 /nfs/dbraw/zinc/12/19/62/350121962.db2.gz CTTNGRZYMHGKMC-UHFFFAOYSA-N -1 0 235.161 1.736 50 0 BDAARM Cc1nc2c(C)cccn2c1CC(=O)[O-] ZINC000019624086 180064298 /nfs/dbraw/zinc/06/42/98/180064298.db2.gz SFYVQMLJAZBLFL-UHFFFAOYSA-N -1 0 204.229 1.578 50 0 BDAARM Cc1nc2[nH]cnn2c(=O)c1Cc1ccccc1 ZINC000012372230 180115805 /nfs/dbraw/zinc/11/58/05/180115805.db2.gz ASTFQNJGYHVFOL-UHFFFAOYSA-N -1 0 240.266 1.729 50 0 BDAARM O=C([O-])[C@H]1NC(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000033975865 350252987 /nfs/dbraw/zinc/25/29/87/350252987.db2.gz SZOMBCQXORQIFV-SCZZXKLOSA-N -1 0 239.658 1.397 50 0 BDAARM O=C([O-])c1cc(Cn2cncn2)cs1 ZINC000040488485 350367122 /nfs/dbraw/zinc/36/71/22/350367122.db2.gz BYCMRCNLSHCWIS-UHFFFAOYSA-N -1 0 209.230 1.086 50 0 BDAARM Cn1c2ncc(C(=O)[O-])cc2nc1C1CC1 ZINC000040449315 350364897 /nfs/dbraw/zinc/36/48/97/350364897.db2.gz NFYSNIWHGUOQNX-UHFFFAOYSA-N -1 0 217.228 1.544 50 0 BDAARM C[C@H](C[S@](=O)[O-])C(=O)Nc1ccccc1 ZINC000012383578 350365930 /nfs/dbraw/zinc/36/59/30/350365930.db2.gz HTHYNLSGGVIMTR-MRVPVSSYSA-N -1 0 227.285 1.483 50 0 BDAARM Cc1nn(CCC(=O)[O-])c(C)c1Cl ZINC000002549519 180387160 /nfs/dbraw/zinc/38/71/60/180387160.db2.gz DAMXGMGAXXOOTI-UHFFFAOYSA-N -1 0 202.641 1.628 50 0 BDAARM Cn1c2ccc(CCCC(=O)[O-])cc2n(C)c1=O ZINC000000844900 350501690 /nfs/dbraw/zinc/50/16/90/350501690.db2.gz UBPPKJZOXZPPEF-UHFFFAOYSA-N -1 0 248.282 1.284 50 0 BDAARM CC(=O)OC[C@@H]1CC=C(C)C[C@H]1C(=O)[O-] ZINC000004760385 191120618 /nfs/dbraw/zinc/12/06/18/191120618.db2.gz VNASBZVBLIPEBK-VHSXEESVSA-N -1 0 212.245 1.607 50 0 BDAARM CCOc1cncc(N(C)C[C@H](C)C(=O)[O-])n1 ZINC000071175432 187532291 /nfs/dbraw/zinc/53/22/91/187532291.db2.gz MPORVZONRIZPAF-QMMMGPOBSA-N -1 0 239.275 1.032 50 0 BDAARM CCCCS(=O)(=O)[N-]c1cc(C)on1 ZINC000006699717 363098804 /nfs/dbraw/zinc/09/88/04/363098804.db2.gz VMFUVPODARSUJX-UHFFFAOYSA-N -1 0 218.278 1.525 50 0 BDAARM CCc1cc2c(cc1C(=O)[O-])OCCO2 ZINC000004832889 363182838 /nfs/dbraw/zinc/18/28/38/363182838.db2.gz YKAKNRVRNIXIRB-UHFFFAOYSA-N -1 0 208.213 1.718 50 0 BDAARM COc1ccc2[nH]c(C(=O)[O-])cc(=O)c2c1 ZINC000013821225 353175106 /nfs/dbraw/zinc/17/51/06/353175106.db2.gz XQWCILGCSOTHNP-UHFFFAOYSA-N -1 0 219.196 1.235 50 0 BDAARM COc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000000064853 188098781 /nfs/dbraw/zinc/09/87/81/188098781.db2.gz DLSAAWQLSTXCNZ-UHFFFAOYSA-N -1 0 223.228 1.499 50 0 biogenic BDAARM CC(=O)Nc1c(C)cc(C(=O)[O-])cc1C ZINC000001698870 188100481 /nfs/dbraw/zinc/10/04/81/188100481.db2.gz MLDROYFTXVEVOV-UHFFFAOYSA-N -1 0 207.229 1.960 50 0 BDAARM O=S(=O)([O-])c1ccc(Cl)c2nonc21 ZINC000002579069 188100706 /nfs/dbraw/zinc/10/07/06/188100706.db2.gz YITNZTMNWIIAGA-UHFFFAOYSA-N -1 0 234.620 1.123 50 0 BDAARM CC(=O)N/C(=C/c1cc(F)cc(F)c1)C(=O)[O-] ZINC000008536263 188104352 /nfs/dbraw/zinc/10/43/52/188104352.db2.gz DHOMOKKAUSLKGQ-ONNFQVAWSA-N -1 0 241.193 1.526 50 0 BDAARM C=C1c2ccccc2C(=O)N1CC(=O)[O-] ZINC000012505067 188104930 /nfs/dbraw/zinc/10/49/30/188104930.db2.gz FRPPZAYXMSWNOB-UHFFFAOYSA-N -1 0 203.197 1.198 50 0 BDAARM Cc1oncc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000022167746 188109635 /nfs/dbraw/zinc/10/96/35/188109635.db2.gz ROGQUCAEHRKRME-UHFFFAOYSA-N -1 0 246.222 1.934 50 0 BDAARM C[C@H](CCC(=O)[O-])NC(=O)c1ccncc1 ZINC000069837748 188111662 /nfs/dbraw/zinc/11/16/62/188111662.db2.gz VPPYZVVHHZYSBU-MRVPVSSYSA-N -1 0 222.244 1.065 50 0 BDAARM O=C([O-])c1nc(Cc2ccccc2)no1 ZINC000040350778 188118619 /nfs/dbraw/zinc/11/86/19/188118619.db2.gz CVBZTKSCBCMNJP-UHFFFAOYSA-N -1 0 204.185 1.359 50 0 BDAARM CC(C)N(CC(=O)[O-])C(=O)OC(C)(C)C ZINC000015443030 188105994 /nfs/dbraw/zinc/10/59/94/188105994.db2.gz VDWLWSLMCAPRCS-UHFFFAOYSA-N -1 0 217.265 1.717 50 0 BDAARM O=C([O-])[C@H]1O[C@H]1c1ccc(Br)cc1 ZINC000067801480 188129234 /nfs/dbraw/zinc/12/92/34/188129234.db2.gz ZKCWMIQZGVVZPR-YUMQZZPRSA-N -1 0 243.056 1.974 50 0 BDAARM Cc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000097036754 188149150 /nfs/dbraw/zinc/14/91/50/188149150.db2.gz ZDJNLCACLQAUIL-NEPJUHHUSA-N -1 0 247.294 1.374 50 0 BDAARM O=C(C=C([O-])c1cccnc1)C(F)(F)F ZINC000100103222 188149776 /nfs/dbraw/zinc/14/97/76/188149776.db2.gz MXVYPMBHALRMDU-UHFFFAOYSA-N -1 0 217.146 1.786 50 0 BDAARM O=C([O-])[C@@H]1CCN1Cc1ccc(F)cc1 ZINC000006472190 353601667 /nfs/dbraw/zinc/60/16/67/353601667.db2.gz WVWZEJAFXOLNKQ-JTQLQIEISA-N -1 0 209.220 1.485 50 0 BDAARM CSCC[C@H](NC(=O)C1CCC1)C(=O)[O-] ZINC000021954221 355943262 /nfs/dbraw/zinc/94/32/62/355943262.db2.gz VASGPHAXPISJOD-QMMMGPOBSA-N -1 0 231.317 1.109 50 0 BDAARM CC(C)c1onc(-c2ncc[nH]2)c1C(=O)[O-] ZINC000675057502 538480069 /nfs/dbraw/zinc/48/00/69/538480069.db2.gz HNLCGYBHTPJSLY-UHFFFAOYSA-N -1 0 221.216 1.886 50 0 BDAARM Cn1cc(-c2noc(C3CC3)c2C(=O)[O-])cn1 ZINC000675058116 538480427 /nfs/dbraw/zinc/48/04/27/538480427.db2.gz WICWSMKKSSESJE-UHFFFAOYSA-N -1 0 233.227 1.651 50 0 BDAARM CCCc1onc(-c2nccn2C)c1C(=O)[O-] ZINC000675057815 538480519 /nfs/dbraw/zinc/48/05/19/538480519.db2.gz PXCBSPHCPQZNGG-UHFFFAOYSA-N -1 0 235.243 1.726 50 0 BDAARM Cc1ncc(-c2cnc(C(=O)[O-])nc2)s1 ZINC000675069676 538499522 /nfs/dbraw/zinc/49/95/22/538499522.db2.gz KTACFYFVGOIMKZ-UHFFFAOYSA-N -1 0 221.241 1.607 50 0 BDAARM Cc1noc(C)c1-c1cnc(C(=O)[O-])nc1 ZINC000675070390 538501634 /nfs/dbraw/zinc/50/16/34/538501634.db2.gz WTQDVIWBXLJBSU-UHFFFAOYSA-N -1 0 219.200 1.447 50 0 BDAARM O=C([O-])c1ncc(-c2ccsc2)cn1 ZINC000675069156 538497640 /nfs/dbraw/zinc/49/76/40/538497640.db2.gz CLUSSGJCZFVYLT-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)C1CC(C)C1)C1CC1 ZINC000393796588 357300513 /nfs/dbraw/zinc/30/05/13/357300513.db2.gz KKWBPZFMIVDXPU-MGURRDGZSA-N -1 0 225.288 1.497 50 0 BDAARM O=C([O-])c1c(C(F)(F)F)nc2n1CCCC2 ZINC000217977684 357266472 /nfs/dbraw/zinc/26/64/72/357266472.db2.gz GFBVWFUOBGFUMD-UHFFFAOYSA-N -1 0 234.177 1.936 50 0 BDAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)n1ccnc1 ZINC000021364586 538869524 /nfs/dbraw/zinc/86/95/24/538869524.db2.gz CBOHIRQIRIFHDB-LLVKDONJSA-N -1 0 244.250 1.782 50 0 BDAARM Nc1nccc(C(F)(F)F)c1CC(=O)[O-] ZINC000238697915 361180397 /nfs/dbraw/zinc/18/03/97/361180397.db2.gz NGBYQIZOKHBQOQ-UHFFFAOYSA-N -1 0 220.150 1.310 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCc1ccccc1 ZINC000037719256 364548055 /nfs/dbraw/zinc/54/80/55/364548055.db2.gz UAOBPCIVWJZAQG-VXGBXAGGSA-N -1 0 247.294 1.456 50 0 BDAARM CC1CC(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)C1 ZINC000574403215 365055006 /nfs/dbraw/zinc/05/50/06/365055006.db2.gz AQABGTRRFWZVCZ-NPASHMDSSA-N -1 0 239.315 1.602 50 0 BDAARM Nc1cccc2cccc(S(=O)(=O)[O-])c12 ZINC000001688378 181750892 /nfs/dbraw/zinc/75/08/92/181750892.db2.gz CYJJLCDCWVZEDZ-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 BDAARM Nc1nc(C(F)(F)F)c(C(=O)[O-])s1 ZINC000002562241 181779840 /nfs/dbraw/zinc/77/98/40/181779840.db2.gz NGMYYADEHCNLGO-UHFFFAOYSA-N -1 0 212.152 1.442 50 0 BDAARM Nc1ncc(-c2ccc(C(=O)[O-])cc2)cn1 ZINC000002563828 181795357 /nfs/dbraw/zinc/79/53/57/181795357.db2.gz AHHQGKDKFINLBL-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM O=C([O-])c1cc(NC(=O)C(F)(F)F)ccc1O ZINC000003194164 371910411 /nfs/dbraw/zinc/91/04/11/371910411.db2.gz ZCBUHWIAOQNWFO-UHFFFAOYSA-N -1 0 249.144 1.591 50 0 BDAARM CCCCC[C@@H]1C[C@@H](CC(=O)[O-])C(=O)O1 ZINC000004008274 372114399 /nfs/dbraw/zinc/11/43/99/372114399.db2.gz PTYWKTSUOWGNCD-DTWKUNHWSA-N -1 0 214.261 1.973 50 0 biogenic BDAARM O=C([O-])[C@H](CC(=O)c1ccccc1)n1cccn1 ZINC000020154773 182012299 /nfs/dbraw/zinc/01/22/99/182012299.db2.gz AOXNOEBTMWSEFS-NSHDSACASA-N -1 0 244.250 1.782 50 0 BDAARM O=C([O-])C1(NC(=O)c2ccccc2)CC1 ZINC000034628008 182088640 /nfs/dbraw/zinc/08/86/40/182088640.db2.gz PZZDJDOTSZSBII-UHFFFAOYSA-N -1 0 205.213 1.034 50 0 BDAARM CC(C)c1ccc2c(c1)S(=O)(=O)[N-]C(=O)N2 ZINC000041283562 374129366 /nfs/dbraw/zinc/12/93/66/374129366.db2.gz DPPDJHBKILYTCI-UHFFFAOYSA-N -1 0 240.284 1.838 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000004105017 182349486 /nfs/dbraw/zinc/34/94/86/182349486.db2.gz QTWGHTBKFVANGX-NKWVEPMBSA-N -1 0 241.193 1.624 50 0 BDAARM O=C([O-])CCCCS(=O)(=O)N1CCCCC1 ZINC000020180384 182438706 /nfs/dbraw/zinc/43/87/06/182438706.db2.gz LAEOLXHANVKRGY-UHFFFAOYSA-N -1 0 249.332 1.057 50 0 BDAARM O=C([O-])CCCn1cnc2ccccc21 ZINC000000874663 182443082 /nfs/dbraw/zinc/44/30/82/182443082.db2.gz UZPPPCKAOWOOBS-UHFFFAOYSA-N -1 0 204.229 1.901 50 0 BDAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1C1CC1)C1CC1 ZINC000097035524 182458730 /nfs/dbraw/zinc/45/87/30/182458730.db2.gz HPOGEWYZMLYXLG-NXEZZACHSA-N -1 0 223.272 1.108 50 0 BDAARM O=C([O-])C[C@@H]1Cc2ccccc2NC1=O ZINC000035287417 182481342 /nfs/dbraw/zinc/48/13/42/182481342.db2.gz VOOBKBWATCPJRK-QMMMGPOBSA-N -1 0 205.213 1.272 50 0 BDAARM O=C([O-])Cc1ncccc1Br ZINC000035569928 182496788 /nfs/dbraw/zinc/49/67/88/182496788.db2.gz IFNBNMHFUSHFME-UHFFFAOYSA-N -1 0 216.034 1.471 50 0 BDAARM O=C([O-])Cc1ccc(-n2cc(CCO)cn2)cc1 ZINC000067742118 182490015 /nfs/dbraw/zinc/49/00/15/182490015.db2.gz UQOKQQLHNPXZAY-UHFFFAOYSA-N -1 0 246.266 1.034 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000019258956 182507812 /nfs/dbraw/zinc/50/78/12/182507812.db2.gz CJFSZWJZSGREJQ-ZCFIWIBFSA-N -1 0 241.193 1.402 50 0 BDAARM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000160131732 182564355 /nfs/dbraw/zinc/56/43/55/182564355.db2.gz POMZMPXIHSPSOR-DTORHVGOSA-N -1 0 249.266 1.850 50 0 BDAARM O=C([O-])c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000095829919 182570826 /nfs/dbraw/zinc/57/08/26/182570826.db2.gz UKHGPJWPMADJGO-UHFFFAOYSA-N -1 0 226.253 1.321 50 0 BDAARM O=C([O-])c1ccc2c(c1)C(=O)N(C1CC1)C2=O ZINC000019702694 182571802 /nfs/dbraw/zinc/57/18/02/182571802.db2.gz POBKDVVNFBAOBJ-UHFFFAOYSA-N -1 0 231.207 1.143 50 0 BDAARM O=C([O-])c1cnc(-c2ccccn2)s1 ZINC000019948577 182588327 /nfs/dbraw/zinc/58/83/27/182588327.db2.gz VRFBRJSRHCNIAO-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000002559736 182591718 /nfs/dbraw/zinc/59/17/18/182591718.db2.gz KGDOHXYALMXHLF-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM O=C([O-])c1ccc2c(c1)SCC(=O)N2 ZINC000098208711 182771780 /nfs/dbraw/zinc/77/17/80/182771780.db2.gz PMIQHWMFUZMWOX-UHFFFAOYSA-N -1 0 209.226 1.429 50 0 in-vitro BDAARM CCCN(CCC)C(=O)CCCC(=O)[O-] ZINC000021961117 169140560 /nfs/dbraw/zinc/14/05/60/169140560.db2.gz OSFOQQNTRFDYIB-UHFFFAOYSA-N -1 0 215.293 1.890 50 0 BDAARM CCCN1C(=O)Cc2cc(C(=O)[O-])ccc21 ZINC000169676771 169184471 /nfs/dbraw/zinc/18/44/71/169184471.db2.gz KJZCFPNUGNZSDZ-UHFFFAOYSA-N -1 0 219.240 1.684 50 0 BDAARM CCC[C@@H](C)CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000095424696 169353980 /nfs/dbraw/zinc/35/39/80/169353980.db2.gz NLTQJHQUWJTMRY-RKDXNWHRSA-N -1 0 215.293 1.744 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-] ZINC000002583125 166656135 /nfs/dbraw/zinc/65/61/35/166656135.db2.gz RTWMQNSZCUYSJJ-BIIVOSGPSA-N -1 0 227.260 1.326 50 0 in-vitro BDAARM CCN(C(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000036379816 169641089 /nfs/dbraw/zinc/64/10/89/169641089.db2.gz WABWRQLEQOXHNQ-UHFFFAOYSA-N -1 0 242.319 1.633 50 0 BDAARM O=C([O-])CC12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000000107471 383828214 /nfs/dbraw/zinc/82/82/14/383828214.db2.gz JFMDWSCOQLUOCZ-LRSDLPTKSA-N -1 0 210.273 1.792 50 0 in-vitro BDAARM CC(C)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000040939 383819428 /nfs/dbraw/zinc/81/94/28/383819428.db2.gz UUIPGCXIZVZSEC-SNVBAGLBSA-N -1 0 247.250 1.392 50 0 in-vitro BDAARM CC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000000067114 383822006 /nfs/dbraw/zinc/82/20/06/383822006.db2.gz SONOHJNKSOBNKY-UHFFFAOYSA-N -1 0 213.620 1.997 50 0 BDAARM O=C([O-])CCCC(=O)N1CCc2ccccc21 ZINC000000192759 383842613 /nfs/dbraw/zinc/84/26/13/383842613.db2.gz WLWDQZUQQAIPLT-UHFFFAOYSA-N -1 0 233.267 1.831 50 0 BDAARM O=C([O-])CCn1c(=O)sc2ccccc21 ZINC000000265452 383847784 /nfs/dbraw/zinc/84/77/84/383847784.db2.gz MNJIHLQXWFMJRV-UHFFFAOYSA-N -1 0 223.253 1.538 50 0 biogenic BDAARM CC(=O)c1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000000386542 383861836 /nfs/dbraw/zinc/86/18/36/383861836.db2.gz DOOHFSCDNBLYNO-SNVBAGLBSA-N -1 0 247.250 1.327 50 0 BDAARM Cc1ccc2c(=O)n(CC(=O)[O-])c(C)nc2c1C ZINC000066442612 383864023 /nfs/dbraw/zinc/86/40/23/383864023.db2.gz BNMWTNMTRVDSPM-UHFFFAOYSA-N -1 0 246.266 1.406 50 0 BDAARM Cc1nnc(S[C@H](C)C(=O)[O-])s1 ZINC000000412426 383865605 /nfs/dbraw/zinc/86/56/05/383865605.db2.gz GLGPJFLSHUJPNM-GSVOUGTGSA-N -1 0 204.276 1.412 50 0 BDAARM O=C([O-])CCN1Cc2ccccc2C1=O ZINC000000487464 383871681 /nfs/dbraw/zinc/87/16/81/383871681.db2.gz QMNYVASLMSOSFP-UHFFFAOYSA-N -1 0 205.213 1.117 50 0 biogenic BDAARM C[C@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000146181 383833061 /nfs/dbraw/zinc/83/30/61/383833061.db2.gz RICKYTLEGMVQTI-LURJTMIESA-N -1 0 211.192 1.029 50 0 BDAARM CCOc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000036882973 383918557 /nfs/dbraw/zinc/91/85/57/383918557.db2.gz YYEVFPAAVMSXBQ-UHFFFAOYSA-N -1 0 232.239 1.969 50 0 BDAARM Cc1cc(C)c(N)c(S(=O)(=O)[O-])c1 ZINC000001683630 383923582 /nfs/dbraw/zinc/92/35/82/383923582.db2.gz CFCXQQUQLZIZPI-UHFFFAOYSA-N -1 0 201.247 1.132 50 0 BDAARM O=C([O-])CCCNc1ncnc2ccccc21 ZINC000001744297 383932852 /nfs/dbraw/zinc/93/28/52/383932852.db2.gz FHHCHTZOXDMJJY-UHFFFAOYSA-N -1 0 231.255 1.907 50 0 BDAARM O=C([O-])CCCn1cnc2ccccc2c1=O ZINC000000874591 383883609 /nfs/dbraw/zinc/88/36/09/383883609.db2.gz YDSMKDAFGDSYPS-UHFFFAOYSA-N -1 0 232.239 1.261 50 0 BDAARM Nc1nccc(C(F)(F)F)c1C(=O)[O-] ZINC000088190112 383886908 /nfs/dbraw/zinc/88/69/08/383886908.db2.gz HLNBKIZJWCGTIO-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM O=C([O-])c1noc(-c2cccc(F)c2F)n1 ZINC000068577101 383999830 /nfs/dbraw/zinc/99/98/30/383999830.db2.gz FSDGOAGYYVLIRP-UHFFFAOYSA-N -1 0 226.138 1.713 50 0 BDAARM O=C([O-])[C@@H]1O[C@H]1c1ccc(Br)cc1 ZINC000067801473 383947133 /nfs/dbraw/zinc/94/71/33/383947133.db2.gz ZKCWMIQZGVVZPR-JGVFFNPUSA-N -1 0 243.056 1.974 50 0 BDAARM Cc1c(Br)cnn1CC(=O)[O-] ZINC000002505980 383967170 /nfs/dbraw/zinc/96/71/70/383967170.db2.gz FQEKYGLAIHOXBZ-UHFFFAOYSA-N -1 0 219.038 1.039 50 0 BDAARM COC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC000004344193 384057797 /nfs/dbraw/zinc/05/77/97/384057797.db2.gz HESVUOITGSAKKR-UHFFFAOYSA-N -1 0 237.642 1.968 50 0 BDAARM Cc1cc(C(F)F)n2nc(C(=O)[O-])nc2n1 ZINC000004498608 384062672 /nfs/dbraw/zinc/06/26/72/384062672.db2.gz VIQHWADMQYGCLE-UHFFFAOYSA-N -1 0 228.158 1.069 50 0 BDAARM O=C([O-])C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000004638146 384071809 /nfs/dbraw/zinc/07/18/09/384071809.db2.gz KJYKRLGZRDUUHW-ONEGZZNKSA-N -1 0 231.211 1.142 50 0 BDAARM Cn1nc(C(=O)[O-])cc1-c1ccccc1 ZINC000005177721 384104559 /nfs/dbraw/zinc/10/45/59/384104559.db2.gz ZDUDGEACIDDEPL-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM CC(C)(NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000005379454 384112849 /nfs/dbraw/zinc/11/28/49/384112849.db2.gz IKHKWJPAZFLNAR-UHFFFAOYSA-N -1 0 222.244 1.671 50 0 BDAARM CC(=O)N/C(=C\c1ccc(C)s1)C(=O)[O-] ZINC000039415973 384113216 /nfs/dbraw/zinc/11/32/16/384113216.db2.gz XIUFQHMYNBNVGS-UITAMQMPSA-N -1 0 225.269 1.618 50 0 BDAARM Cc1ccc(F)c(-c2nc(C(=O)[O-])no2)c1 ZINC000071047739 384147618 /nfs/dbraw/zinc/14/76/18/384147618.db2.gz WWEGHWHKMGDWTF-UHFFFAOYSA-N -1 0 222.175 1.882 50 0 BDAARM CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000041234585 384183513 /nfs/dbraw/zinc/18/35/13/384183513.db2.gz XQJVFATYXKRTCM-NSHDSACASA-N -1 0 221.256 1.647 50 0 BDAARM COC(=O)c1ccc([O-])c(Br)c1 ZINC000008106108 384194306 /nfs/dbraw/zinc/19/43/06/384194306.db2.gz RKUNSPWAQIUGEZ-UHFFFAOYSA-N -1 0 231.045 1.941 50 0 BDAARM CCCCOCCCNc1nc(=O)c(C)n[n-]1 ZINC000009169037 384235176 /nfs/dbraw/zinc/23/51/76/384235176.db2.gz QLCIFSKRIPWBIH-UHFFFAOYSA-N -1 0 240.307 1.092 50 0 BDAARM O=C([O-])C1(c2cccc(F)c2)CCOCC1 ZINC000009280609 384240295 /nfs/dbraw/zinc/24/02/95/384240295.db2.gz YRTZKIQGOZNELV-UHFFFAOYSA-N -1 0 224.231 1.959 50 0 BDAARM O=C([O-])CC(=O)Nc1cc(Cl)ccc1O ZINC000004928239 384227010 /nfs/dbraw/zinc/22/70/10/384227010.db2.gz YYFGSRQAXMFODY-UHFFFAOYSA-N -1 0 229.619 1.459 50 0 BDAARM Cc1ccc([C@@H](CC(=O)[O-])NC(N)=O)cc1 ZINC000009458219 384252915 /nfs/dbraw/zinc/25/29/15/384252915.db2.gz VFFVTGQZUDNHNS-SECBINFHSA-N -1 0 222.244 1.179 50 0 BDAARM C[C@@H](C(=O)[O-])N1CCO[C@@](C)(c2ccccc2)C1 ZINC000237511271 384259435 /nfs/dbraw/zinc/25/94/35/384259435.db2.gz WEBNQLFGAJNWOP-SMDDNHRTSA-N -1 0 249.310 1.707 50 0 BDAARM CC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000011947360 384304895 /nfs/dbraw/zinc/30/48/95/384304895.db2.gz AJFVLYLOGPQKGZ-UHFFFAOYSA-N -1 0 235.239 1.693 50 0 BDAARM O=C([O-])c1cc(=O)[nH]c(C(F)(F)F)c1 ZINC000082378359 384321307 /nfs/dbraw/zinc/32/13/07/384321307.db2.gz IZJDOWWJHSGCBC-UHFFFAOYSA-N -1 0 207.107 1.504 50 0 BDAARM CO[C@@](C)([C@@H](C)N=c1nc(C)[n-]s1)C1CC1 ZINC000408521368 384286987 /nfs/dbraw/zinc/28/69/87/384286987.db2.gz QXCGNNDMKKDRHJ-HQJQHLMTSA-N -1 0 241.360 1.884 50 0 BDAARM Cc1ccc([C@@H]2NC(=O)NC2=O)cc1F ZINC000075772360 384337363 /nfs/dbraw/zinc/33/73/63/384337363.db2.gz RMLYWMPXXDZENW-QMMMGPOBSA-N -1 0 208.192 1.015 50 0 BDAARM COc1nc(C)c(Br)cc1C(=O)[O-] ZINC000095883897 384404380 /nfs/dbraw/zinc/40/43/80/384404380.db2.gz QDJOAUYUIHAUFM-UHFFFAOYSA-N -1 0 246.060 1.859 50 0 BDAARM CO[N-]C(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000134758203 384385848 /nfs/dbraw/zinc/38/58/48/384385848.db2.gz BHEPVAFULPZYJA-UHFFFAOYSA-N -1 0 246.625 1.095 50 0 BDAARM O=C([O-])COc1ccc2nsnc2c1 ZINC000016431353 384457102 /nfs/dbraw/zinc/45/71/02/384457102.db2.gz PMQSMTSNJBKYRO-UHFFFAOYSA-N -1 0 210.214 1.155 50 0 BDAARM O=C([O-])c1c(Cl)cc(=O)n2c1CCCCC2 ZINC000096511721 384461767 /nfs/dbraw/zinc/46/17/67/384461767.db2.gz LLBIYBHBWAHEEE-UHFFFAOYSA-N -1 0 241.674 1.926 50 0 BDAARM O=C([O-])c1ccc(N2CCn3ccnc3C2)s1 ZINC000079052227 384482190 /nfs/dbraw/zinc/48/21/90/384482190.db2.gz AIRCLDOUKULFRI-UHFFFAOYSA-N -1 0 249.295 1.663 50 0 BDAARM O=C([O-])C1CCN(C(=O)c2ccccn2)CC1 ZINC000019092745 384509490 /nfs/dbraw/zinc/50/94/90/384509490.db2.gz YXSXPCQHCMZSDE-UHFFFAOYSA-N -1 0 234.255 1.018 50 0 BDAARM O=C([O-])CNC(=O)NCc1ccc(Cl)cc1 ZINC000019269284 384513457 /nfs/dbraw/zinc/51/34/57/384513457.db2.gz DZEAHIKDHMOKCW-UHFFFAOYSA-N -1 0 242.662 1.224 50 0 BDAARM O=C([O-])C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000019260933 384513711 /nfs/dbraw/zinc/51/37/11/384513711.db2.gz WKPBMQOVUPFRHQ-UHFFFAOYSA-N -1 0 232.157 1.902 50 0 BDAARM O=C([O-])Cc1csc(Nc2cccnc2)n1 ZINC000048981001 384514915 /nfs/dbraw/zinc/51/49/15/384514915.db2.gz ILMMJYVRONVHRV-UHFFFAOYSA-N -1 0 235.268 1.909 50 0 BDAARM CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)[O-] ZINC000019486277 384525196 /nfs/dbraw/zinc/52/51/96/384525196.db2.gz ZTTIAZCVZOGTEI-RKDXNWHRSA-N -1 0 202.250 1.291 50 0 BDAARM CSC[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000123482628 384562858 /nfs/dbraw/zinc/56/28/58/384562858.db2.gz FPAKGMDYOXLBHX-QMMMGPOBSA-N -1 0 245.344 1.309 50 0 BDAARM CSC[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000123482863 384563052 /nfs/dbraw/zinc/56/30/52/384563052.db2.gz FPAKGMDYOXLBHX-MRVPVSSYSA-N -1 0 245.344 1.309 50 0 BDAARM CCS(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000049946756 384580729 /nfs/dbraw/zinc/58/07/29/384580729.db2.gz KIQMGWWNNOSBIJ-UHFFFAOYSA-N -1 0 229.257 1.146 50 0 BDAARM C[C@@H](NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000020250199 384602383 /nfs/dbraw/zinc/60/23/83/384602383.db2.gz XYROYDOGHLSWPI-MRVPVSSYSA-N -1 0 213.277 1.546 50 0 BDAARM O=C([O-])c1cn(Cc2cccs2)nn1 ZINC000050213576 384607647 /nfs/dbraw/zinc/60/76/47/384607647.db2.gz LIPJPDDZGVNURO-UHFFFAOYSA-N -1 0 209.230 1.086 50 0 BDAARM COCCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000020283893 384610185 /nfs/dbraw/zinc/61/01/85/384610185.db2.gz MBGAWBKOCNDAKF-SECBINFHSA-N -1 0 224.256 1.727 50 0 BDAARM CCc1c(C)nc2[n-]c(C(F)(F)F)nn2c1=O ZINC000100136823 384618128 /nfs/dbraw/zinc/61/81/28/384618128.db2.gz SBMGTHGHYJUXBV-UHFFFAOYSA-N -1 0 246.192 1.307 50 0 BDAARM C[C@H](NC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000011888824 384676640 /nfs/dbraw/zinc/67/66/40/384676640.db2.gz NRKREEHTBHHGRH-LURJTMIESA-N -1 0 211.192 1.029 50 0 BDAARM O=C([O-])c1ccc2c(c1)CN(C1CC1)C(=O)CO2 ZINC000096517148 384673886 /nfs/dbraw/zinc/67/38/86/384673886.db2.gz DOMZONHHIKMQFQ-UHFFFAOYSA-N -1 0 247.250 1.268 50 0 BDAARM O=C([O-])c1ncsc1Nc1cccnc1 ZINC000081897050 384640667 /nfs/dbraw/zinc/64/06/67/384640667.db2.gz AFDCHQIMPVZSJN-UHFFFAOYSA-N -1 0 221.241 1.980 50 0 BDAARM CO[C@@H]1CCN(c2ccc(C(=O)[O-])cc2)C1 ZINC000143160122 384718442 /nfs/dbraw/zinc/71/84/42/384718442.db2.gz JNFDUAIWZYGOSH-LLVKDONJSA-N -1 0 221.256 1.610 50 0 BDAARM O=C([O-])Cc1cccnc1Br ZINC000082969687 384732025 /nfs/dbraw/zinc/73/20/25/384732025.db2.gz PIFJMOYWRSHXBF-UHFFFAOYSA-N -1 0 216.034 1.471 50 0 BDAARM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000114494298 384787260 /nfs/dbraw/zinc/78/72/60/384787260.db2.gz BPUPMHVBVYPFDZ-DTWKUNHWSA-N -1 0 243.303 1.964 50 0 BDAARM O=C([O-])Cc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000026421070 384873840 /nfs/dbraw/zinc/87/38/40/384873840.db2.gz YWQOEAPNUCHBOZ-UHFFFAOYSA-N -1 0 247.206 1.697 50 0 BDAARM Cc1nsc(Br)c1C(=O)[O-] ZINC000084232016 384852614 /nfs/dbraw/zinc/85/26/14/384852614.db2.gz ARHIBOUYOCZHRU-UHFFFAOYSA-N -1 0 222.063 1.912 50 0 BDAARM Cc1occc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062117314 384953847 /nfs/dbraw/zinc/95/38/47/384953847.db2.gz WQSRAYVUBKAWLZ-MRVPVSSYSA-N -1 0 223.228 1.135 50 0 BDAARM C[C@H](NC(=O)c1cc2c(s1)CCC2)C(=O)[O-] ZINC000019274765 385184307 /nfs/dbraw/zinc/18/43/07/385184307.db2.gz IWFWFSBAPJZTLS-LURJTMIESA-N -1 0 239.296 1.440 50 0 BDAARM O=C([O-])CCNC(=O)CCCc1cccs1 ZINC000019265760 385179990 /nfs/dbraw/zinc/17/99/90/385179990.db2.gz JXBXWUDJUNIOOQ-UHFFFAOYSA-N -1 0 241.312 1.662 50 0 BDAARM O=C([O-])c1cc(F)nc(C(F)(F)F)c1 ZINC000095762030 385207398 /nfs/dbraw/zinc/20/73/98/385207398.db2.gz NDURNUDTAZLSJA-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM O=C([O-])c1cn2c(n1)CC[C@@H](C(F)(F)F)C2 ZINC000096509840 385246999 /nfs/dbraw/zinc/24/69/99/385246999.db2.gz NPENBVWMGGBQFW-RXMQYKEDSA-N -1 0 234.177 1.706 50 0 BDAARM O=C([O-])c1cccc(-c2c[nH]c(=O)[nH]c2=O)c1 ZINC000065344626 385300514 /nfs/dbraw/zinc/30/05/14/385300514.db2.gz KZHXAYBLZWZJHK-UHFFFAOYSA-N -1 0 232.195 1.253 50 0 BDAARM O=C([O-])/C=C/c1coc2ccc(O)cc2c1=O ZINC000000518893 385398761 /nfs/dbraw/zinc/39/87/61/385398761.db2.gz AEVXMHSSRRMQOF-DAFODLJHSA-N -1 0 232.191 1.596 50 0 biogenic BDAARM CC(C)N1C(=O)C(CC(=O)[O-])=C2CCCC[C@H]21 ZINC000169676458 385416540 /nfs/dbraw/zinc/41/65/40/385416540.db2.gz LWYFLMQBGVMTHA-LLVKDONJSA-N -1 0 237.299 1.951 50 0 BDAARM CC1=NN(C(=O)/C=C/C(=O)[O-])[C@H](c2ccco2)C1 ZINC000000529646 385461332 /nfs/dbraw/zinc/46/13/32/385461332.db2.gz LECZORFHRYQZHD-MOVJSRMASA-N -1 0 248.238 1.570 50 0 BDAARM C[C@H]1C(=O)Nc2cc(C(=O)[O-])ccc2N[C@H]1C ZINC000157836285 385525411 /nfs/dbraw/zinc/52/54/11/385525411.db2.gz IOXGTTCBYJXFLD-RQJHMYQMSA-N -1 0 234.255 1.773 50 0 BDAARM O=C([O-])c1cc(=O)n2nc3ccccc3c2[nH]1 ZINC000252537784 385654140 /nfs/dbraw/zinc/65/41/40/385654140.db2.gz MIJXKLQKIHLKOK-UHFFFAOYSA-N -1 0 229.195 1.286 50 0 BDAARM O=C([O-])c1cc(F)ncc1OC(F)F ZINC000263623629 386157592 /nfs/dbraw/zinc/15/75/92/386157592.db2.gz 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/nfs/dbraw/zinc/66/28/76/174662876.db2.gz WBAQPZBJOIAMHC-UHFFFAOYSA-N -1 0 244.250 1.456 50 0 BDAARM CO[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000168886634 174679358 /nfs/dbraw/zinc/67/93/58/174679358.db2.gz CFWAYVLOKOVQMX-QMMMGPOBSA-N -1 0 237.255 1.036 50 0 BDAARM COc1cc(C(=O)[O-])cc(C(F)(F)F)n1 ZINC000095762040 174949579 /nfs/dbraw/zinc/94/95/79/174949579.db2.gz KLQHNZRQGMJSRK-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM COc1cc2nnc(C(=O)[O-])cc2c(OC)c1 ZINC000012505610 175009720 /nfs/dbraw/zinc/00/97/20/175009720.db2.gz NSCWKRULMBQTRF-UHFFFAOYSA-N -1 0 234.211 1.345 50 0 BDAARM COc1cc2[nH]c(C(=O)[O-])c(C=O)c2cc1OC ZINC000000490994 175018420 /nfs/dbraw/zinc/01/84/20/175018420.db2.gz QVAZMCCSENVCPR-UHFFFAOYSA-N -1 0 249.222 1.696 50 0 biogenic BDAARM COc1ccc(-c2cc(CC(=O)[O-])no2)cc1 ZINC000020270422 175031904 /nfs/dbraw/zinc/03/19/04/175031904.db2.gz URKMXHVELQPCLR-UHFFFAOYSA-N -1 0 233.223 1.977 50 0 BDAARM COc1ccc(-c2cncc(C(=O)[O-])n2)cc1F ZINC000215773744 175037035 /nfs/dbraw/zinc/03/70/35/175037035.db2.gz SMUGHFTZIMHMNV-UHFFFAOYSA-N -1 0 248.213 1.990 50 0 BDAARM COc1ccc(-c2noc(CCC(=O)[O-])n2)cc1 ZINC000000058346 175042307 /nfs/dbraw/zinc/04/23/07/175042307.db2.gz WRFNXLGYERRRTO-UHFFFAOYSA-N -1 0 248.238 1.762 50 0 BDAARM COc1ccc(-c2nc(=O)o[n-]2)cc1OC ZINC000021365035 175043175 /nfs/dbraw/zinc/04/31/75/175043175.db2.gz QJPCTSWXCGZURM-UHFFFAOYSA-N -1 0 222.200 1.459 50 0 BDAARM COc1ccc(-n2cc(C)cn2)c(C(=O)[O-])c1 ZINC000067739876 175044240 /nfs/dbraw/zinc/04/42/40/175044240.db2.gz ZVINFMAFYFRBBM-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM COc1ccc(C(F)(F)F)nc1C(=O)[O-] ZINC000047218648 175070007 /nfs/dbraw/zinc/07/00/07/175070007.db2.gz DNIWSOTWTRSLCX-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM COc1ccc(C2(C(=O)[O-])CCOCC2)cc1 ZINC000000608899 175083191 /nfs/dbraw/zinc/08/31/91/175083191.db2.gz HUAOQQIUUYXNFN-UHFFFAOYSA-N -1 0 236.267 1.828 50 0 biogenic BDAARM COc1ccc(C2(C(=O)[O-])CC(O)C2)cc1 ZINC000071654943 175083348 /nfs/dbraw/zinc/08/33/48/175083348.db2.gz LFTFNYUHJMESTD-UHFFFAOYSA-N -1 0 222.240 1.172 50 0 BDAARM COc1ccc(C2(C(=O)[O-])CC2)cc1OC ZINC000021951388 175083867 /nfs/dbraw/zinc/08/38/67/175083867.db2.gz FELRPROQUKLRFC-UHFFFAOYSA-N -1 0 222.240 1.820 50 0 BDAARM COc1ccc(C2=NO[C@@H](C(=O)[O-])C2)cc1 ZINC000000818998 175085204 /nfs/dbraw/zinc/08/52/04/175085204.db2.gz HSCXSJZYFWHROH-SNVBAGLBSA-N -1 0 221.212 1.273 50 0 BDAARM COc1ccc(OC)c(C([O-])=CC(C)=O)c1 ZINC000101836461 175164455 /nfs/dbraw/zinc/16/44/55/175164455.db2.gz IWGWZCMYHSKSRE-UHFFFAOYSA-N -1 0 222.240 1.866 50 0 BDAARM COc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000000304574 175167353 /nfs/dbraw/zinc/16/73/53/175167353.db2.gz KHSIMUUBXRZIOX-UHFFFAOYSA-N -1 0 231.273 1.075 50 0 BDAARM COc1ccc2c(c1)[C@H](C(=O)[O-])CC(=O)N2 ZINC000019088977 175214959 /nfs/dbraw/zinc/21/49/59/175214959.db2.gz CSXKQOMETSMOEJ-MRVPVSSYSA-N -1 0 221.212 1.206 50 0 BDAARM COc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013693211 175222751 /nfs/dbraw/zinc/22/27/51/175222751.db2.gz BNNOCRQLZYVEGV-UHFFFAOYSA-N -1 0 205.213 1.735 50 0 BDAARM COc1cccc([C@@H]2O[C@H]2C(=O)[O-])c1OC ZINC000002155679 175291665 /nfs/dbraw/zinc/29/16/65/175291665.db2.gz IQSMAZGCLQABEP-VHSXEESVSA-N -1 0 224.212 1.228 50 0 BDAARM COc1cccc2cc(C(=O)[O-])cnc21 ZINC000034343707 175306331 /nfs/dbraw/zinc/30/63/31/175306331.db2.gz MCODIFYTJFMYQG-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 BDAARM COc1ccccc1C1(C(=O)[O-])CCOCC1 ZINC000020429455 175319696 /nfs/dbraw/zinc/31/96/96/175319696.db2.gz KHVYTMKXKQRQFG-UHFFFAOYSA-N -1 0 236.267 1.828 50 0 BDAARM COc1ccccc1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1C ZINC000040162859 175349736 /nfs/dbraw/zinc/34/97/36/175349736.db2.gz PIIHILKJSXOOPP-JOYOIKCWSA-N -1 0 249.266 1.299 50 0 BDAARM COc1ccccc1[C@H]1N[C@@H](C(=O)[O-])CS1 ZINC000004291754 175355199 /nfs/dbraw/zinc/35/51/99/175355199.db2.gz LEVUYFUCJRHCNR-SCZZXKLOSA-N -1 0 239.296 1.483 50 0 BDAARM COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)[O-] ZINC000000132596 175355625 /nfs/dbraw/zinc/35/56/25/175355625.db2.gz LMMNYYZCVYAOOF-LDYMZIIASA-N -1 0 236.223 1.384 50 0 biogenic BDAARM C[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000002732002 176048884 /nfs/dbraw/zinc/04/88/84/176048884.db2.gz XYGODKUTURWIHD-SSDOTTSWSA-N -1 0 233.223 1.284 50 0 BDAARM C[C@@H]1CC(C)(C)NC(=S)N1CCCC(=O)[O-] ZINC000019737443 176052850 /nfs/dbraw/zinc/05/28/50/176052850.db2.gz AGIPFUHLMKYYIT-MRVPVSSYSA-N -1 0 244.360 1.599 50 0 BDAARM C[C@@H]1CC[C@H](CCC(=O)NCCCC(=O)[O-])O1 ZINC000237434484 176222839 /nfs/dbraw/zinc/22/28/39/176222839.db2.gz GJECXWUUZAIWLU-NXEZZACHSA-N -1 0 243.303 1.315 50 0 BDAARM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])c2ccccc21 ZINC000299749114 176259174 /nfs/dbraw/zinc/25/91/74/176259174.db2.gz JHGBERVIDIBOHJ-DVVUODLYSA-N -1 0 245.278 1.857 50 0 BDAARM C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)[O-] ZINC000238856660 176320321 /nfs/dbraw/zinc/32/03/21/176320321.db2.gz WTEVYHJJJIALPA-RKDXNWHRSA-N -1 0 206.245 1.239 50 0 BDAARM C[C@@H]1C[C@@H](C)CN(C(=O)NCCC(=O)[O-])C1 ZINC000020426217 176359593 /nfs/dbraw/zinc/35/95/93/176359593.db2.gz KDMRNWXBDHHHDJ-RKDXNWHRSA-N -1 0 228.292 1.149 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013448989 176385695 /nfs/dbraw/zinc/38/56/95/176385695.db2.gz VHWQJLNKTOVFNF-KCJUWKMLSA-N -1 0 245.278 1.930 50 0 BDAARM C[C@@](O)(CSc1cccc(F)c1)C(=O)[O-] ZINC000087111817 176520393 /nfs/dbraw/zinc/52/03/93/176520393.db2.gz FXKDJQPJFWKUJT-SNVBAGLBSA-N -1 0 230.260 1.753 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)CC1CCCC1 ZINC000038137961 176601408 /nfs/dbraw/zinc/60/14/08/176601408.db2.gz AJPGZEFXRGTWFG-MRVPVSSYSA-N -1 0 213.277 1.546 50 0 BDAARM C[C@@H](NC(=O)CS[C@@H](C)C(=O)[O-])C1CC1 ZINC000032745094 177026276 /nfs/dbraw/zinc/02/62/76/177026276.db2.gz YHLIVGODCRZVBC-RQJHMYQMSA-N -1 0 231.317 1.107 50 0 BDAARM C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000035570878 177222133 /nfs/dbraw/zinc/22/21/33/177222133.db2.gz IPLCSDCAWNDONJ-JGVFFNPUSA-N -1 0 229.276 1.574 50 0 BDAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccccn1 ZINC000038026335 487639016 /nfs/dbraw/zinc/63/90/16/487639016.db2.gz NLFVABFXKYRZJE-SNVBAGLBSA-N -1 0 248.282 1.551 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643864 487926045 /nfs/dbraw/zinc/92/60/45/487926045.db2.gz LFBPYQQWKUKPCS-YUMQZZPRSA-N -1 0 227.304 1.648 50 0 BDAARM CC(C)C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643874 487926188 /nfs/dbraw/zinc/92/61/88/487926188.db2.gz QPOXJRHKGYVWJX-UHFFFAOYSA-N -1 0 215.293 1.648 50 0 BDAARM CCn1ncc(C([O-])=CC(=O)C(F)(F)F)c1C ZINC000100497223 487945830 /nfs/dbraw/zinc/94/58/30/487945830.db2.gz YSVSWZMNAQQWNZ-UHFFFAOYSA-N -1 0 248.204 1.916 50 0 BDAARM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccsc1 ZINC000044611670 488004502 /nfs/dbraw/zinc/00/45/02/488004502.db2.gz ALKGOQWAQFGOEH-MRVPVSSYSA-N -1 0 227.285 1.683 50 0 BDAARM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1(C)C ZINC000003172358 487481295 /nfs/dbraw/zinc/48/12/95/487481295.db2.gz GUWTYPYGDNFFPO-NKWVEPMBSA-N -1 0 200.234 1.296 50 0 BDAARM O=C([O-])c1ccc2c(Br)cnn2c1 ZINC000211845791 488337178 /nfs/dbraw/zinc/33/71/78/488337178.db2.gz DPFBNMKYGYAYOA-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM O=C([O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000106788556 490396555 /nfs/dbraw/zinc/39/65/55/490396555.db2.gz ZKVHCSGIMKBCIM-SNVBAGLBSA-N -1 0 219.240 1.514 50 0 BDAARM O=C([O-])Cc1cccc(C(F)(F)F)n1 ZINC000035569946 518201466 /nfs/dbraw/zinc/20/14/66/518201466.db2.gz WRPOGLABYJEOEX-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM CC1(C)CO[C@@H](c2ccccc2)CN1CC(=O)[O-] ZINC000236642998 520511912 /nfs/dbraw/zinc/51/19/12/520511912.db2.gz LKFAZHXPLXATGN-GFCCVEGCSA-N -1 0 249.310 1.923 50 0 BDAARM COc1cccc2c1CCc1c(C(=O)[O-])n[nH]c1-2 ZINC000390834805 524230598 /nfs/dbraw/zinc/23/05/98/524230598.db2.gz AMLQUCCRQHMLGS-UHFFFAOYSA-N -1 0 244.250 1.882 50 0 BDAARM O=C([O-])C1(C(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000154973031 527552396 /nfs/dbraw/zinc/55/23/96/527552396.db2.gz DQDIMSKNJXFVRP-NXEZZACHSA-N -1 0 237.299 1.500 50 0 BDAARM O=C([O-])c1cnc(NC(=O)C2CC2)s1 ZINC000719938528 566281918 /nfs/dbraw/zinc/28/19/18/566281918.db2.gz OBEKKRXSQWQWPI-UHFFFAOYSA-N -1 0 212.230 1.190 50 0 BDAARM O=C([O-])/C=C/c1ccc(Br)cn1 ZINC000117508353 589101319 /nfs/dbraw/zinc/10/13/19/589101319.db2.gz DXDHMFBMPDQGEY-ONEGZZNKSA-N -1 0 228.045 1.942 50 0 BDAARM Cc1cc(C(=O)Nc2nnc3n2CCCC3)on1 ZINC000097057846 631250632 /nfs/dbraw/zinc/25/06/32/631250632.db2.gz RFFKAKBPBWRHKD-UHFFFAOYSA-N -1 0 247.258 1.163 50 0 BDAARM Cc1ccc(-n2[n-]c(=O)ccc2=O)cc1 ZINC000003184849 632674012 /nfs/dbraw/zinc/67/40/12/632674012.db2.gz WJMZYSZVWIRNFM-UHFFFAOYSA-N -1 0 202.213 1.247 50 0 BDAARM C[C@@H](CC(=O)[O-])c1ccc2c(c1)n(C)c(=O)n2C ZINC000000227628 642762692 /nfs/dbraw/zinc/76/26/92/642762692.db2.gz QOICKJSZUXNHJA-QMMMGPOBSA-N -1 0 248.282 1.455 50 0 BDAARM CC(=O)NC12CCCC(C(=O)[O-])(CCC1)C2 ZINC000000190154 643072743 /nfs/dbraw/zinc/07/27/43/643072743.db2.gz JVZYCJRWVJJGHR-UHFFFAOYSA-N -1 0 225.288 1.690 50 0 BDAARM COC(=O)c1sccc1[S@@](=O)[O-] ZINC000196529525 712396985 /nfs/dbraw/zinc/39/69/85/712396985.db2.gz WKQIZYNTWJZMKC-UHFFFAOYSA-N -1 0 206.244 1.115 50 0 BDAARM O=C([O-])[C@@]1([C@H]2CCCCO2)CCCO1 ZINC000686648127 985192280 /nfs/dbraw/zinc/19/22/80/985192280.db2.gz XPIPLZHHJRBITM-SCZZXKLOSA-N -1 0 200.234 1.189 50 0 BDAARM Cc1ccc(-c2nc(C(=O)[O-])nn2C)cc1F ZINC001506429285 988784878 /nfs/dbraw/zinc/78/48/78/988784878.db2.gz RXLJMOKDDBHHQF-UHFFFAOYSA-N -1 0 235.218 1.628 50 0 BDAARM O=C([O-])c1ncoc1CCC(F)(F)F ZINC000074942053 398210792 /nfs/dbraw/zinc/21/07/92/398210792.db2.gz CDWNXJFAWVEXAG-UHFFFAOYSA-N -1 0 209.123 1.868 50 0 BDAARM C[C@@H](CCc1cccc(F)c1)NC(=O)C(=O)[O-] ZINC000170596115 361774371 /nfs/dbraw/zinc/77/43/71/361774371.db2.gz WFOXWMOXISMPPK-QMMMGPOBSA-N -1 0 239.246 1.348 50 0 BDAARM Cc1ccc(-n2ncc(C(=O)[O-])c2N)cc1 ZINC000002571502 178349385 /nfs/dbraw/zinc/34/93/85/178349385.db2.gz APMQYFHSZSHAOC-UHFFFAOYSA-N -1 0 217.228 1.461 50 0 BDAARM COC(=O)c1cccc([S@@](=O)[O-])c1 ZINC000200328429 538948626 /nfs/dbraw/zinc/94/86/26/538948626.db2.gz WIVJWIAFDUQLOY-UHFFFAOYSA-N -1 0 200.215 1.054 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000011890700 178390988 /nfs/dbraw/zinc/39/09/88/178390988.db2.gz XXIZSXAVJZFQFI-NSHDSACASA-N -1 0 233.267 1.684 50 0 BDAARM O=S1(=O)[N-]c2cccc3cccc1c23 ZINC000000120030 342675321 /nfs/dbraw/zinc/67/53/21/342675321.db2.gz HOBYPSNNFBRLIX-UHFFFAOYSA-N -1 0 205.238 1.954 50 0 BDAARM O=C([O-])c1cc2cc(O)ccc2cc1O ZINC000000156898 342677872 /nfs/dbraw/zinc/67/78/72/342677872.db2.gz QMWOUSYSNFCKAZ-UHFFFAOYSA-N -1 0 204.181 1.949 50 0 in-vivo BDAARM C[C@@H](Cn1nnc2ccccc21)C(=O)[O-] ZINC000000192747 342679882 /nfs/dbraw/zinc/67/98/82/342679882.db2.gz DQDZZJOQSXHOES-ZETCQYMHSA-N -1 0 205.217 1.152 50 0 BDAARM Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000000288832 342682418 /nfs/dbraw/zinc/68/24/18/342682418.db2.gz NQTLZJODEOHALT-UHFFFAOYSA-N -1 0 205.135 1.986 50 0 BDAARM COc1cc(C=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000000316475 342683051 /nfs/dbraw/zinc/68/30/51/342683051.db2.gz MLHKYEYVHIVNMU-ZETCQYMHSA-N -1 0 224.212 1.360 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)N1Cc1cccs1 ZINC000000395908 342686211 /nfs/dbraw/zinc/68/62/11/342686211.db2.gz YNWVGKGWWOCMFN-MRVPVSSYSA-N -1 0 225.269 1.324 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccnc1 ZINC000000397920 342686483 /nfs/dbraw/zinc/68/64/83/342686483.db2.gz AFWWQUGLCPAHPY-MNOVXSKESA-N -1 0 248.282 1.911 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](c2cccs2)N1 ZINC000000054090 342671563 /nfs/dbraw/zinc/67/15/63/342671563.db2.gz ZUDFHYZUQCNUJF-VDTYLAMSSA-N -1 0 215.299 1.536 50 0 BDAARM Nc1c(F)c(F)c(C(=O)[O-])c(F)c1F ZINC000000056589 342671887 /nfs/dbraw/zinc/67/18/87/342671887.db2.gz WTNSXWSOTDBWOR-UHFFFAOYSA-N -1 0 209.098 1.523 50 0 BDAARM C[C@H](C(=O)[O-])[C@@H]1Sc2ccccc2NC1=O ZINC000000712159 342691995 /nfs/dbraw/zinc/69/19/95/342691995.db2.gz ZHJBCDJUOASXOM-RCOVLWMOSA-N -1 0 237.280 1.820 50 0 BDAARM O=S(=O)([O-])c1cccc2cccc(O)c21 ZINC000001648142 342707071 /nfs/dbraw/zinc/70/70/71/342707071.db2.gz ZPLBZGGKAUXTRT-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000001661430 342707353 /nfs/dbraw/zinc/70/73/53/342707353.db2.gz MIXBJTZAUYXHMZ-UHFFFAOYSA-N -1 0 207.229 1.662 50 0 BDAARM Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC000001693409 342709440 /nfs/dbraw/zinc/70/94/40/342709440.db2.gz OKAUOXITMZTUOJ-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 BDAARM C[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002384810 342719533 /nfs/dbraw/zinc/71/95/33/342719533.db2.gz VLHQXRIIQSTJCQ-LURJTMIESA-N -1 0 203.238 1.326 50 0 in-vitro BDAARM CCCCCCNC(=O)NCCC(=O)[O-] ZINC000002144211 342715994 /nfs/dbraw/zinc/71/59/94/342715994.db2.gz PUTUIPMEMDIVCT-UHFFFAOYSA-N -1 0 216.281 1.341 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000004105010 342742529 /nfs/dbraw/zinc/74/25/29/342742529.db2.gz FDIYXAWZVLZPIH-BDAKNGLRSA-N -1 0 241.193 1.624 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC1 ZINC000004155534 342743068 /nfs/dbraw/zinc/74/30/68/342743068.db2.gz MFFWEFPNGDBSLN-VHSXEESVSA-N -1 0 223.272 1.276 50 0 BDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCCC1 ZINC000004202565 342743716 /nfs/dbraw/zinc/74/37/16/342743716.db2.gz YBZCSKVLXBOFSL-UHFFFAOYSA-N -1 0 229.276 1.909 50 0 BDAARM CSc1nc(C)c(CCC(=O)[O-])c(C)n1 ZINC000004207046 342744285 /nfs/dbraw/zinc/74/42/85/342744285.db2.gz KVVJWSSSKDKJHV-UHFFFAOYSA-N -1 0 226.301 1.833 50 0 BDAARM O=C([O-])[C@H]1CSCN1C(=O)c1ccccc1 ZINC000004207432 342744362 /nfs/dbraw/zinc/74/43/62/342744362.db2.gz GIVFXJOSWHOVIQ-SECBINFHSA-N -1 0 237.280 1.286 50 0 BDAARM O=C([O-])c1cccc(I)n1 ZINC000004352696 342747066 /nfs/dbraw/zinc/74/70/66/342747066.db2.gz BUGFWXXZYXILQY-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM Nc1c(C(=O)[O-])cnn1-c1ccccc1F ZINC000002576780 342725252 /nfs/dbraw/zinc/72/52/52/342725252.db2.gz ZHBRRQXKEBSCBS-UHFFFAOYSA-N -1 0 221.191 1.292 50 0 BDAARM CN(C)c1ccc2cc(C(=O)[O-])[nH]c2c1 ZINC000003748714 342737376 /nfs/dbraw/zinc/73/73/76/342737376.db2.gz VSCCUJFHSMALIB-UHFFFAOYSA-N -1 0 204.229 1.932 50 0 BDAARM Cn1c2ccccc2c(C=O)c1C(=O)[O-] ZINC000003913682 342739794 /nfs/dbraw/zinc/73/97/94/342739794.db2.gz XYANKXSPJQBIDM-UHFFFAOYSA-N -1 0 203.197 1.689 50 0 BDAARM Cc1ccc2cc(CCC(=O)[O-])c(=O)[nH]c2c1 ZINC000003985150 342740251 /nfs/dbraw/zinc/74/02/51/342740251.db2.gz SPTGORMPTISHFL-UHFFFAOYSA-N -1 0 231.251 1.854 50 0 biogenic BDAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1F ZINC000004839756 342753072 /nfs/dbraw/zinc/75/30/72/342753072.db2.gz DEFUAHXVPYNTKQ-MRVPVSSYSA-N -1 0 237.230 1.572 50 0 BDAARM Cc1c(C(=O)[O-])cnn1Cc1ccccc1 ZINC000004998496 342756319 /nfs/dbraw/zinc/75/63/19/342756319.db2.gz LKXGSWZWOBKKRP-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM O=S(=O)([O-])c1ccc2c(c1)CCCC2 ZINC000005845038 342770524 /nfs/dbraw/zinc/77/05/24/342770524.db2.gz CTEWUQNEQPLMMJ-UHFFFAOYSA-N -1 0 212.270 1.812 50 0 BDAARM Cc1onc(-c2nccn2C)c1C(=O)[O-] ZINC000039956261 538970896 /nfs/dbraw/zinc/97/08/96/538970896.db2.gz BUBNVZXXVHVGIH-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](C(=O)[O-])[NH+]1Cc1ccccc1 ZINC000006529521 342778992 /nfs/dbraw/zinc/77/89/92/342778992.db2.gz QREMUNONTQIPQO-GHMZBOCLSA-N -1 0 249.266 1.189 50 0 BDAARM CN(C)c1nc(C(=O)[O-])cc(-c2ccccc2)n1 ZINC000020264838 342789505 /nfs/dbraw/zinc/78/95/05/342789505.db2.gz MKNOHEQJJUWMPG-UHFFFAOYSA-N -1 0 243.266 1.908 50 0 BDAARM Cn1c(=O)c(/C=C/C(=O)[O-])cc2ccccc21 ZINC000008039541 342795774 /nfs/dbraw/zinc/79/57/74/342795774.db2.gz OVXBKHFDHRXVFG-VOTSOKGWSA-N -1 0 229.235 1.636 50 0 biogenic BDAARM CCCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000011638303 342842295 /nfs/dbraw/zinc/84/22/95/342842295.db2.gz WVUWWPZYZLFNQU-UHFFFAOYSA-N -1 0 223.228 1.829 50 0 in-vitro BDAARM O=C([O-])c1cnc(-c2ccncc2)nc1 ZINC000012370793 342850440 /nfs/dbraw/zinc/85/04/40/342850440.db2.gz GTKJGOOMSODGOU-UHFFFAOYSA-N -1 0 201.185 1.237 50 0 BDAARM O=C([O-])[C@@H]1CCN1C(=O)OCc1ccccc1 ZINC000013375226 342866893 /nfs/dbraw/zinc/86/68/93/342866893.db2.gz IUWBMOQXJOJWBF-JTQLQIEISA-N -1 0 235.239 1.482 50 0 BDAARM Cc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000014248125 342878740 /nfs/dbraw/zinc/87/87/40/342878740.db2.gz MXTQTENLUSJLFY-UHFFFAOYSA-N -1 0 234.211 1.655 50 0 BDAARM CCc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000015304556 342894542 /nfs/dbraw/zinc/89/45/42/342894542.db2.gz WJKVLAPOIPKPTC-UHFFFAOYSA-N -1 0 207.229 1.063 50 0 BDAARM CO[N-]C(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000032904016 342899710 /nfs/dbraw/zinc/89/97/10/342899710.db2.gz CEIOTMNJHJKLTH-VIFPVBQESA-N -1 0 209.245 1.440 50 0 BDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000019686094 342953600 /nfs/dbraw/zinc/95/36/00/342953600.db2.gz GCFZAZFRGJPWMV-SNVBAGLBSA-N -1 0 219.240 1.233 50 0 BDAARM O=C([O-])c1ccc(NCC(F)(F)F)nc1 ZINC000019845351 342959873 /nfs/dbraw/zinc/95/98/73/342959873.db2.gz VNOAEIILVJPUPP-UHFFFAOYSA-N -1 0 220.150 1.754 50 0 BDAARM O=C([O-])c1ccnc(NCc2ccccn2)c1 ZINC000019845174 342959931 /nfs/dbraw/zinc/95/99/31/342959931.db2.gz BFUNOTXWSKFEQP-UHFFFAOYSA-N -1 0 229.239 1.787 50 0 BDAARM O=C([O-])c1cn(-c2ccccc2F)nn1 ZINC000020216567 342977529 /nfs/dbraw/zinc/97/75/29/342977529.db2.gz VKSWBIDDMLYYAU-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM O=C([O-])c1cccnc1NCc1ccncc1 ZINC000020561111 342990574 /nfs/dbraw/zinc/99/05/74/342990574.db2.gz LSJUTHAZYSYYJZ-UHFFFAOYSA-N -1 0 229.239 1.787 50 0 BDAARM O=C([O-])c1cnn(-c2cccc(Cl)c2)n1 ZINC000020246492 342978400 /nfs/dbraw/zinc/97/84/00/342978400.db2.gz ZJDFNMOCDXLNIY-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM O=C([O-])c1cccnc1OCC1CCOCC1 ZINC000020357758 342983621 /nfs/dbraw/zinc/98/36/21/342983621.db2.gz JPRRLLNTKYYIFI-UHFFFAOYSA-N -1 0 237.255 1.585 50 0 BDAARM Cc1csc(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000022173974 343043112 /nfs/dbraw/zinc/04/31/12/343043112.db2.gz PPQOXDSSWJFEEK-QMMMGPOBSA-N -1 0 226.301 1.753 50 0 BDAARM CCCCCC[C@@H](NC(C)=O)C(=O)[O-] ZINC000002046421 343073544 /nfs/dbraw/zinc/07/35/44/343073544.db2.gz JJGNMSOJTSABGA-SECBINFHSA-N -1 0 201.266 1.546 50 0 in-man BDAARM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)[O-])C2=O ZINC000032626735 343238753 /nfs/dbraw/zinc/23/87/53/343238753.db2.gz KSKGZHWNQKLAJL-ZETCQYMHSA-N -1 0 233.223 1.064 50 0 BDAARM CCc1ccc(/C=C(/NC(C)=O)C(=O)[O-])s1 ZINC000002839258 343268974 /nfs/dbraw/zinc/26/89/74/343268974.db2.gz OTVMABACDRCJDA-UXBLZVDNSA-N -1 0 239.296 1.872 50 0 BDAARM Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(F)cc21 ZINC000034458091 343271521 /nfs/dbraw/zinc/27/15/21/343271521.db2.gz DHJRWNMTTJCQGO-UHFFFAOYSA-N -1 0 239.177 1.515 50 0 BDAARM O=C1[N-]S(=O)(=O)c2c1cccc2Cl ZINC000034566357 343274958 /nfs/dbraw/zinc/27/49/58/343274958.db2.gz MEFGCTZWJIQTTR-UHFFFAOYSA-N -1 0 217.633 1.347 50 0 BDAARM O=C([O-])c1ccccc1-c1n[nH]c(=S)[nH]1 ZINC000034926219 343280353 /nfs/dbraw/zinc/28/03/53/343280353.db2.gz JWOZQWKZSCWSJU-UHFFFAOYSA-N -1 0 221.241 1.459 50 0 BDAARM CC(C)(C)OC(=O)NCC(C)(C)C(=O)[O-] ZINC000036439002 343318588 /nfs/dbraw/zinc/31/85/88/343318588.db2.gz LSZXQEWVQORQBO-UHFFFAOYSA-N -1 0 217.265 1.622 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCc3ccccc32)C1 ZINC000036878592 343326367 /nfs/dbraw/zinc/32/63/67/343326367.db2.gz DBSIFUPIEIQHLR-CMPLNLGQSA-N -1 0 245.278 1.607 50 0 BDAARM CC(C)(C)NC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000035390560 343295830 /nfs/dbraw/zinc/29/58/30/343295830.db2.gz RAAPXVRHYBAJQU-ZETCQYMHSA-N -1 0 230.308 1.583 50 0 BDAARM CC[C@H]1Nc2ccc(C(=O)[O-])cc2NC1=O ZINC000035411550 343296149 /nfs/dbraw/zinc/29/61/49/343296149.db2.gz RSQRDVPENVGBIX-SSDOTTSWSA-N -1 0 220.228 1.527 50 0 in-vitro BDAARM CC(C)(C)OC(=O)N[C@@H]1C=CC[C@@H](C(=O)[O-])C1 ZINC000036040062 343307356 /nfs/dbraw/zinc/30/73/56/343307356.db2.gz WRDLRBISLUXLKZ-RKDXNWHRSA-N -1 0 241.287 1.931 50 0 BDAARM O=C([O-])c1cc(-c2ccccc2)n[nH]c1=O ZINC000038876740 343380038 /nfs/dbraw/zinc/38/00/38/343380038.db2.gz PWPFONMCUWVZRW-UHFFFAOYSA-N -1 0 216.196 1.547 50 0 BDAARM COC(=O)C1=C([O-])c2cc(OC)ccc2C1 ZINC000039293768 343388426 /nfs/dbraw/zinc/38/84/26/343388426.db2.gz WRMZEXPQHVTWJA-SNVBAGLBSA-N -1 0 220.224 1.223 50 0 BDAARM Nc1ncc(C(=O)[O-])cc1Br ZINC000040447937 343403449 /nfs/dbraw/zinc/40/34/49/343403449.db2.gz UOUDHTBHPQJUPS-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM CCSc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1 ZINC000040865591 343410761 /nfs/dbraw/zinc/41/07/61/343410761.db2.gz UWMDBDYLNJITCD-YFHOEESVSA-N -1 0 248.307 1.979 50 0 BDAARM Cc1c(C(=O)[O-])cccc1S(C)(=O)=O ZINC000042684407 343447908 /nfs/dbraw/zinc/44/79/08/343447908.db2.gz WMALKKDIJHZYRM-UHFFFAOYSA-N -1 0 214.242 1.097 50 0 BDAARM Cc1cnc2c(cnn2CCC(=O)[O-])c1 ZINC000047476090 343562377 /nfs/dbraw/zinc/56/23/77/343562377.db2.gz OXVMQOBRSXKDJI-UHFFFAOYSA-N -1 0 205.217 1.214 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000047845118 343566800 /nfs/dbraw/zinc/56/68/00/343566800.db2.gz YVMHYDQOUZWQQA-JTQLQIEISA-N -1 0 233.239 1.420 50 0 BDAARM Nc1ccc(Cl)c(C(=O)NCCC(=O)[O-])c1 ZINC000048513474 343582669 /nfs/dbraw/zinc/58/26/69/343582669.db2.gz HRBKWDZTFGVLID-UHFFFAOYSA-N -1 0 242.662 1.127 50 0 BDAARM O=c1[n-]c(Cl)nn1Cc1ccccc1 ZINC000049584924 343603675 /nfs/dbraw/zinc/60/36/75/343603675.db2.gz UQCQVOVQFREQBC-UHFFFAOYSA-N -1 0 209.636 1.273 50 0 BDAARM COC(=O)CC[C@]1(C(=O)[O-])CCOC(C)(C)C1 ZINC000000517486 346959040 /nfs/dbraw/zinc/95/90/40/346959040.db2.gz FSWYXELJGWZSDY-LBPRGKRZSA-N -1 0 244.287 1.600 50 0 biogenic BDAARM CCCCC[C@@H](C)CC(=O)Nc1nn[nH]n1 ZINC000072302901 344403629 /nfs/dbraw/zinc/40/36/29/344403629.db2.gz XOIBSXWRFXEOQH-MRVPVSSYSA-N -1 0 225.296 1.745 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cc(C)ccc1F ZINC000036895334 178668835 /nfs/dbraw/zinc/66/88/35/178668835.db2.gz HKKNZVWUSAESGJ-UHFFFAOYSA-N -1 0 235.218 1.721 50 0 BDAARM CC[C@@H](NC(=O)c1ccccc1)c1nnn[n-]1 ZINC000095161849 345682405 /nfs/dbraw/zinc/68/24/05/345682405.db2.gz BNWOKUDNXYXJPC-SECBINFHSA-N -1 0 231.259 1.081 50 0 BDAARM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)[O-])C2=O ZINC000032626737 178944685 /nfs/dbraw/zinc/94/46/85/178944685.db2.gz KSKGZHWNQKLAJL-SSDOTTSWSA-N -1 0 233.223 1.064 50 0 BDAARM Cc1ccc2c(c1)NC(=O)[C@H]2CC(=O)[O-] ZINC000100142313 178947561 /nfs/dbraw/zinc/94/75/61/178947561.db2.gz KKDSTULRLHTHJN-QMMMGPOBSA-N -1 0 205.213 1.505 50 0 BDAARM Cc1ccc2c(c1)[C@H](CC(=O)[O-])C(=O)N2C ZINC000040488481 178953721 /nfs/dbraw/zinc/95/37/21/178953721.db2.gz YTYCMIIRIQQBRM-VIFPVBQESA-N -1 0 219.240 1.530 50 0 BDAARM C[C@H](CC(=O)c1cccc(N)c1)C(=O)[O-] ZINC000000345363 346413291 /nfs/dbraw/zinc/41/32/91/346413291.db2.gz DTSNXCOYNWGRNW-SSDOTTSWSA-N -1 0 207.229 1.562 50 0 BDAARM CCCCCCNC(=O)NCCCC(=O)[O-] ZINC000002144213 346495630 /nfs/dbraw/zinc/49/56/30/346495630.db2.gz RYCKGBOWZMJJNQ-UHFFFAOYSA-N -1 0 230.308 1.731 50 0 BDAARM CC(C)c1nc(N2CCCC2)ncc1C(=O)[O-] ZINC000043558405 346753795 /nfs/dbraw/zinc/75/37/95/346753795.db2.gz QVSJPQYKTTXDOR-UHFFFAOYSA-N -1 0 235.287 1.898 50 0 BDAARM Cc1ccccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000003281477 179252848 /nfs/dbraw/zinc/25/28/48/179252848.db2.gz NHVAASARHSFWSJ-MRVPVSSYSA-N -1 0 207.229 1.198 50 0 BDAARM Cc1ccccc1Cn1cccc(C(=O)[O-])c1=O ZINC000008769009 179294290 /nfs/dbraw/zinc/29/42/90/179294290.db2.gz CBRYYSFIRYCNRY-UHFFFAOYSA-N -1 0 243.262 1.903 50 0 BDAARM Cc1ccccc1NC(=O)c1n[n-]n(C)c1=S ZINC000101392565 179302859 /nfs/dbraw/zinc/30/28/59/179302859.db2.gz MIKVJUOCQCJHLU-UHFFFAOYSA-N -1 0 248.311 1.665 50 0 BDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCC(=O)[O-] ZINC000237638142 179331590 /nfs/dbraw/zinc/33/15/90/179331590.db2.gz TZLIGMOMYQKHHF-NWDGAFQWSA-N -1 0 247.294 1.689 50 0 BDAARM Cc1ccn2cc(CCC(=O)[O-])nc2n1 ZINC000064038058 179413600 /nfs/dbraw/zinc/41/36/00/179413600.db2.gz UCNAZGDAZBMRNL-UHFFFAOYSA-N -1 0 205.217 1.055 50 0 BDAARM C[C@@H]1CO[C@@H](c2ccccc2)CN1CC(=O)[O-] ZINC000265289676 187397482 /nfs/dbraw/zinc/39/74/82/187397482.db2.gz ZDAVURGEUUEMDE-ZYHUDNBSSA-N -1 0 235.283 1.533 50 0 BDAARM O=C([O-])c1ncc(Br)s1 ZINC000038540795 187426542 /nfs/dbraw/zinc/42/65/42/187426542.db2.gz BQRYPTVDLJGHAU-UHFFFAOYSA-N -1 0 208.036 1.604 50 0 BDAARM COc1ccc(Cn2nn[n-]c2=S)cc1 ZINC000007715479 187413196 /nfs/dbraw/zinc/41/31/96/187413196.db2.gz DHSRMNZHPIXYOO-UHFFFAOYSA-N -1 0 222.273 1.019 50 0 BDAARM O=C(/C=C\c1ccco1)NC1(C(=O)[O-])CCC1 ZINC000221888404 349309254 /nfs/dbraw/zinc/30/92/54/349309254.db2.gz KDFTVVGWMAKLNQ-PLNGDYQASA-N -1 0 235.239 1.416 50 0 BDAARM CC(C)=CC(=O)N(CCC(=O)[O-])CC(C)C ZINC000071733592 190988903 /nfs/dbraw/zinc/98/89/03/190988903.db2.gz IGMWMHJCPPMUKB-UHFFFAOYSA-N -1 0 227.304 1.912 50 0 BDAARM O=C([O-])[C@H]1Cc2cc(F)ccc2NC1=O ZINC000122236885 362949689 /nfs/dbraw/zinc/94/96/89/362949689.db2.gz DBHRUOWCJVLYQP-ZETCQYMHSA-N -1 0 209.176 1.021 50 0 BDAARM Cc1nn2c([n-]1)nc(-c1ccc(F)cc1)cc2=O ZINC000100420961 180058759 /nfs/dbraw/zinc/05/87/59/180058759.db2.gz IEDKGPBNXLRUAU-UHFFFAOYSA-N -1 0 244.229 1.532 50 0 BDAARM Cc1nc2c(Br)c[n-]n2c(=O)c1C ZINC000071474087 180062750 /nfs/dbraw/zinc/06/27/50/180062750.db2.gz YRVJIQZZSFFNEH-UHFFFAOYSA-N -1 0 242.076 1.814 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)C(F)(F)F ZINC000034544373 350267706 /nfs/dbraw/zinc/26/77/06/350267706.db2.gz SVXWNJBAQWRECG-RXMQYKEDSA-N -1 0 225.166 1.014 50 0 BDAARM O=C([O-])[C@H]1NC(=O)C[C@@H]1c1cccc(Cl)c1 ZINC000040449245 350365140 /nfs/dbraw/zinc/36/51/40/350365140.db2.gz IGCXWZBBWWUORU-SCZZXKLOSA-N -1 0 239.658 1.397 50 0 BDAARM Cc1ccc(C[C@@H]2SC(=O)[N-]C2=O)o1 ZINC000001395336 350393829 /nfs/dbraw/zinc/39/38/29/350393829.db2.gz PMNBXHUCIBNFNJ-ZETCQYMHSA-N -1 0 211.242 1.482 50 0 BDAARM Cc1nn(C)c2ncc(C(=O)[O-])c(Cl)c12 ZINC000000160998 180364109 /nfs/dbraw/zinc/36/41/09/180364109.db2.gz LHEUUYZQYKWDSY-UHFFFAOYSA-N -1 0 225.635 1.628 50 0 BDAARM Cc1oc(-c2cnn(C)c2)nc1C(=O)[O-] ZINC000051075590 180527736 /nfs/dbraw/zinc/52/77/36/180527736.db2.gz JAZHJDWLDRGMBW-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM Cc1sc(-n2cccc2)nc1C(=O)[O-] ZINC000036047675 180556803 /nfs/dbraw/zinc/55/68/03/180556803.db2.gz FHRKBEQJSQJMTP-UHFFFAOYSA-N -1 0 208.242 1.940 50 0 BDAARM O=C([O-])c1c(C(F)F)nc2n1CCCC2 ZINC000536955973 323966416 /nfs/dbraw/zinc/96/64/16/323966416.db2.gz VUZWQGLSALVGPX-UHFFFAOYSA-N -1 0 216.187 1.855 50 0 BDAARM 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188109622 /nfs/dbraw/zinc/10/96/22/188109622.db2.gz LHJVMOIOTPJSLS-UHFFFAOYSA-N -1 0 217.265 1.764 50 0 BDAARM CCOC(=O)C1=C([O-])c2ccccc2C1 ZINC000043647210 188123027 /nfs/dbraw/zinc/12/30/27/188123027.db2.gz CRUSDTXUTKVYLW-SNVBAGLBSA-N -1 0 204.225 1.605 50 0 BDAARM C[C@H](CCC(=O)[O-])NC(=O)c1cccs1 ZINC000069837609 188111693 /nfs/dbraw/zinc/11/16/93/188111693.db2.gz KZWKKSBASMUNPN-SSDOTTSWSA-N -1 0 227.285 1.731 50 0 BDAARM O=C([O-])c1ccc(C2CC(=O)CC(=O)C2)cc1 ZINC000040447879 188118402 /nfs/dbraw/zinc/11/84/02/188118402.db2.gz YBAYPABXQBCYAX-UHFFFAOYSA-N -1 0 232.235 1.791 50 0 BDAARM COc1nc(C(=O)[O-])ccc1Br ZINC000071256510 188130548 /nfs/dbraw/zinc/13/05/48/188130548.db2.gz AIHBRPSPSCCVPH-UHFFFAOYSA-N -1 0 232.033 1.551 50 0 BDAARM COc1cccc(CC(=O)CC(=O)[O-])c1 ZINC000263622944 188193810 /nfs/dbraw/zinc/19/38/10/188193810.db2.gz CHRUHGSPZUOHAQ-UHFFFAOYSA-N -1 0 208.213 1.282 50 0 BDAARM CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000020227032 188175234 /nfs/dbraw/zinc/17/52/34/188175234.db2.gz 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383836275 /nfs/dbraw/zinc/83/62/75/383836275.db2.gz WGMFHSADKZJPGR-QPJJXVBHSA-N -1 0 205.213 1.743 50 0 BDAARM Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000174286 383839580 /nfs/dbraw/zinc/83/95/80/383839580.db2.gz HTRWLFRKMUVNPG-NXEZZACHSA-N -1 0 223.297 1.783 50 0 BDAARM CC(=O)Nc1nc2ccc(C(=O)[O-])cc2s1 ZINC000000175326 383841918 /nfs/dbraw/zinc/84/19/18/383841918.db2.gz JPXINLOXBYICBT-UHFFFAOYSA-N -1 0 236.252 1.953 50 0 BDAARM O=C([O-])C1CCN(C(=O)c2cccs2)CC1 ZINC000000228079 383843969 /nfs/dbraw/zinc/84/39/69/383843969.db2.gz NSWSBWQLPNNZQJ-UHFFFAOYSA-N -1 0 239.296 1.685 50 0 BDAARM O=C([O-])CCc1nc(-c2ccccc2F)no1 ZINC000000211877 383845347 /nfs/dbraw/zinc/84/53/47/383845347.db2.gz OOHZXPIDNZNTAY-UHFFFAOYSA-N -1 0 236.202 1.893 50 0 BDAARM COc1cc(Br)cnc1C(=O)[O-] ZINC000035270444 383848018 /nfs/dbraw/zinc/84/80/18/383848018.db2.gz UTRZGSGCVSZCCL-UHFFFAOYSA-N -1 0 232.033 1.551 50 0 BDAARM C[C@@H](NC(=S)c1ccccc1)C(=O)[O-] ZINC000000330105 383853031 /nfs/dbraw/zinc/85/30/31/383853031.db2.gz AOJKAGLIOPXBSP-SSDOTTSWSA-N -1 0 209.270 1.425 50 0 BDAARM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000000468334 383869419 /nfs/dbraw/zinc/86/94/19/383869419.db2.gz VHARFVDRHZIASX-LLVKDONJSA-N -1 0 235.283 1.834 50 0 BDAARM Cn1nccc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000000535660 383874489 /nfs/dbraw/zinc/87/44/89/383874489.db2.gz QCSHYNRFKADQFN-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM O=C([O-])COc1c(F)c(F)c(F)c(F)c1F ZINC000001627122 383915369 /nfs/dbraw/zinc/91/53/69/383915369.db2.gz SMXPFEBIAASLOR-UHFFFAOYSA-N -1 0 242.099 1.846 50 0 BDAARM Cc1c(C(=O)[O-])cnn1C1CCOCC1 ZINC000088613678 383917632 /nfs/dbraw/zinc/91/76/32/383917632.db2.gz KURHRJDWCKRYDJ-UHFFFAOYSA-N -1 0 210.233 1.241 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC000091481861 383918868 /nfs/dbraw/zinc/91/88/68/383918868.db2.gz NSPNPJVGLCGBSL-UHFFFAOYSA-N -1 0 241.331 1.992 50 0 BDAARM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001704138 383925647 /nfs/dbraw/zinc/92/56/47/383925647.db2.gz SZXBQTSZISFIAO-SSDOTTSWSA-N -1 0 217.265 1.620 50 0 BDAARM O=C([O-])C1CCN(C(=O)c2ccco2)CC1 ZINC000000873474 383883210 /nfs/dbraw/zinc/88/32/10/383883210.db2.gz GGWOZMNUCDKQIN-UHFFFAOYSA-N -1 0 223.228 1.216 50 0 BDAARM O=C([O-])Cc1cc2ccccc2oc1=O ZINC000001295992 383893112 /nfs/dbraw/zinc/89/31/12/383893112.db2.gz SHJIXDKRFQBKCZ-UHFFFAOYSA-N -1 0 204.181 1.420 50 0 BDAARM O=C([O-])Cc1csc(NC(=O)NC2CC2)n1 ZINC000036379824 383901032 /nfs/dbraw/zinc/90/10/32/383901032.db2.gz DKEJIYIALNBEHZ-UHFFFAOYSA-N -1 0 241.272 1.054 50 0 BDAARM CC1(C)Cc2cc(C(=O)[O-])c(N)nc2CO1 ZINC000002750071 383987016 /nfs/dbraw/zinc/98/70/16/383987016.db2.gz SEIKPDUGMRERNQ-UHFFFAOYSA-N -1 0 222.244 1.213 50 0 BDAARM C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000003070340 383995890 /nfs/dbraw/zinc/99/58/90/383995890.db2.gz JDZJPBGMOPJBQP-FCZSHJHJSA-N -1 0 219.240 1.289 50 0 BDAARM CCO[C@H](C)c1nc(CC(=O)[O-])cs1 ZINC000068575284 383999213 /nfs/dbraw/zinc/99/92/13/383999213.db2.gz QAENIAYDUDFSDW-ZCFIWIBFSA-N -1 0 215.274 1.868 50 0 BDAARM O=C([O-])c1cnc2ncc(Br)cn12 ZINC000089229099 383951975 /nfs/dbraw/zinc/95/19/75/383951975.db2.gz DIOGTIVUKTZYTE-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM O=C([O-])[C@](O)(c1ccccc1)C1CCC1 ZINC000002384766 383961846 /nfs/dbraw/zinc/96/18/46/383961846.db2.gz ZHGXYXVTCLJDSI-LBPRGKRZSA-N -1 0 206.241 1.759 50 0 BDAARM CC(=O)c1c([O-])c2ccccc2oc1=O ZINC000002471058 383967593 /nfs/dbraw/zinc/96/75/93/383967593.db2.gz UTZHUXAPJIBIBQ-UHFFFAOYSA-N -1 0 204.181 1.701 50 0 biogenic BDAARM COc1ccc(OCn2ccc(C(=O)[O-])n2)cc1 ZINC000002526617 383971044 /nfs/dbraw/zinc/97/10/44/383971044.db2.gz HQBMTAYRTYFIIQ-UHFFFAOYSA-N -1 0 248.238 1.626 50 0 BDAARM O=C([O-])CCCc1ccc2c(n1)NCCC2 ZINC000002527502 383971434 /nfs/dbraw/zinc/97/14/34/383971434.db2.gz YGHYFKOIEJCYHJ-UHFFFAOYSA-N -1 0 220.272 1.847 50 0 BDAARM O=C([O-])CCn1cc(Br)cn1 ZINC000002549513 383974189 /nfs/dbraw/zinc/97/41/89/383974189.db2.gz FUQHYUVPDLMICC-UHFFFAOYSA-N -1 0 219.038 1.120 50 0 BDAARM C[C@]1(C(=O)[O-])CC(=O)N=C2C=CC(Cl)=CN21 ZINC000004294760 384053849 /nfs/dbraw/zinc/05/38/49/384053849.db2.gz DQIFVTBOJFSIHQ-SNVBAGLBSA-N -1 0 240.646 1.111 50 0 BDAARM Cc1nc(-n2nc(C3CC3)cc2N)[nH]c(=O)c1C ZINC000038486282 384084189 /nfs/dbraw/zinc/08/41/89/384084189.db2.gz TWEXCUAYJCHVTA-UHFFFAOYSA-N -1 0 245.286 1.444 50 0 BDAARM Cc1noc(C)c1Cc1c(C)onc1C(=O)[O-] ZINC000004944075 384091703 /nfs/dbraw/zinc/09/17/03/384091703.db2.gz FQVIGRPELVFYFA-UHFFFAOYSA-N -1 0 236.227 1.877 50 0 BDAARM O=C([O-])CCC(=O)NCc1ccc(Cl)cc1 ZINC000004627723 384072160 /nfs/dbraw/zinc/07/21/60/384072160.db2.gz XKDQNPHTCBHPMD-UHFFFAOYSA-N -1 0 241.674 1.821 50 0 BDAARM Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)o1 ZINC000004614243 384073181 /nfs/dbraw/zinc/07/31/81/384073181.db2.gz FKQBFGPLBKOCDT-HTRCEHHLSA-N -1 0 213.258 1.376 50 0 BDAARM CC(=O)c1ccc(NC(=O)C=C(C)C(=O)[O-])cc1 ZINC000071405365 384164956 /nfs/dbraw/zinc/16/49/56/384164956.db2.gz VNRMCTMANZPEIC-BQYQJAHWSA-N -1 0 247.250 1.859 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000071405199 384166501 /nfs/dbraw/zinc/16/65/01/384166501.db2.gz ABPQPZVEEIOCGY-RKDXNWHRSA-N -1 0 234.255 1.521 50 0 BDAARM Cc1ccc(OCCS(=O)(=O)[O-])cc1 ZINC000072242357 384202739 /nfs/dbraw/zinc/20/27/39/384202739.db2.gz LBURPYDVAJQKOQ-UHFFFAOYSA-N -1 0 216.258 1.262 50 0 BDAARM [O-]C(=CC(=S)N1CCOCC1)c1ccccc1 ZINC000004899198 384197782 /nfs/dbraw/zinc/19/77/82/384197782.db2.gz QRDBHWXPTRWPNH-UHFFFAOYSA-N -1 0 249.335 1.919 50 0 BDAARM CCc1cccc2c(O)c(C(=O)[O-])cnc12 ZINC000008804272 384217705 /nfs/dbraw/zinc/21/77/05/384217705.db2.gz HYXADUGUMNZZHQ-UHFFFAOYSA-N -1 0 217.224 1.789 50 0 BDAARM O=C([O-])C[C@](O)(c1ccco1)C(F)(F)F ZINC000009458199 384253854 /nfs/dbraw/zinc/25/38/54/384253854.db2.gz GAAVCWCVXAPSKM-ZETCQYMHSA-N -1 0 224.134 1.504 50 0 BDAARM O=C([O-])CCc1cc2ccc(F)cc2[nH]c1=O ZINC000011981954 384305401 /nfs/dbraw/zinc/30/54/01/384305401.db2.gz QKVXXIHWVNWNHF-UHFFFAOYSA-N -1 0 235.214 1.684 50 0 BDAARM O=C([O-])CCc1nc2nccc(C3CC3)n2n1 ZINC000012399047 384315704 /nfs/dbraw/zinc/31/57/04/384315704.db2.gz TZRZWTGASKRVHC-UHFFFAOYSA-N -1 0 232.243 1.019 50 0 BDAARM Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097009346 384280062 /nfs/dbraw/zinc/28/00/62/384280062.db2.gz NFWGEIBAUICEQY-RKDXNWHRSA-N -1 0 237.255 1.571 50 0 BDAARM COCCn1c(C(=O)[O-])cc2ccc(OC)cc21 ZINC000043830499 384302612 /nfs/dbraw/zinc/30/26/12/384302612.db2.gz CUGSNCKAUWADRN-UHFFFAOYSA-N -1 0 249.266 1.995 50 0 BDAARM O=C([O-])c1ccc(OC2CC=CC2)nc1 ZINC000095919617 384407609 /nfs/dbraw/zinc/40/76/09/384407609.db2.gz FZBQJWWCDWGOIT-UHFFFAOYSA-N -1 0 205.213 1.877 50 0 BDAARM CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])no1 ZINC000095929831 384410537 /nfs/dbraw/zinc/41/05/37/384410537.db2.gz CCCHFCPUBYWBCF-UHFFFAOYSA-N -1 0 228.204 1.720 50 0 BDAARM Cc1cc2c(c(C)c1)[C@H](CC(=O)[O-])C(=O)N2 ZINC000095496181 384379625 /nfs/dbraw/zinc/37/96/25/384379625.db2.gz HKNNXDHSHRLGCO-QMMMGPOBSA-N -1 0 219.240 1.814 50 0 BDAARM Nc1cc(Br)ccc1CC(=O)[O-] ZINC000095641947 384384263 /nfs/dbraw/zinc/38/42/63/384384263.db2.gz FJLGJOJCDAVQDF-UHFFFAOYSA-N -1 0 230.061 1.658 50 0 BDAARM O=C([O-])c1c(F)ccnc1Br ZINC000095629658 384384415 /nfs/dbraw/zinc/38/44/15/384384415.db2.gz BJXAOLDIWMIJSH-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM O=C([O-])c1cnc(OCC(F)(F)F)nc1 ZINC000095642152 384385724 /nfs/dbraw/zinc/38/57/24/384385724.db2.gz CCKMGUZVCFHWPK-UHFFFAOYSA-N -1 0 222.122 1.116 50 0 BDAARM CC(C)c1ccnc2nc(CCC(=O)[O-])nn21 ZINC000047476095 384455092 /nfs/dbraw/zinc/45/50/92/384455092.db2.gz OBZSBYUOHAWCEG-UHFFFAOYSA-N -1 0 234.259 1.265 50 0 BDAARM CC(C)(C)n1ncc(C(=O)[O-])c1CCCO ZINC000096663721 384471608 /nfs/dbraw/zinc/47/16/08/384471608.db2.gz NLRDNSTWTFOTQF-UHFFFAOYSA-N -1 0 226.276 1.261 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1nccs1 ZINC000079124165 384486111 /nfs/dbraw/zinc/48/61/11/384486111.db2.gz LYWNCSZRGOAWHN-RITPCOANSA-N -1 0 240.284 1.438 50 0 BDAARM COCc1cc(=O)[nH]c(-c2cccc(C)c2)n1 ZINC000018068278 384498787 /nfs/dbraw/zinc/49/87/87/384498787.db2.gz BNTGJUGKEVLXKB-UHFFFAOYSA-N -1 0 230.267 1.892 50 0 BDAARM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)[O-] ZINC000097048983 384491397 /nfs/dbraw/zinc/49/13/97/384491397.db2.gz PQBDONMJJFRKOE-SSDOTTSWSA-N -1 0 233.264 1.001 50 0 BDAARM O=C([O-])CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000019391435 384518411 /nfs/dbraw/zinc/51/84/11/384518411.db2.gz ANWAKYZBSMSPFC-UHFFFAOYSA-N -1 0 247.250 1.619 50 0 BDAARM O=C([O-])C1CCN(CC(F)(F)F)CC1 ZINC000019408061 384519276 /nfs/dbraw/zinc/51/92/76/384519276.db2.gz XIUOKZDKFRRRSA-UHFFFAOYSA-N -1 0 211.183 1.345 50 0 BDAARM O=C([O-])Cn1ccc(-c2ccccc2F)n1 ZINC000020417548 384616992 /nfs/dbraw/zinc/61/69/92/384616992.db2.gz GNEQMLZZDIBBIU-UHFFFAOYSA-N -1 0 220.203 1.774 50 0 BDAARM O=C1CCCN1c1ccc(S(=O)(=O)[O-])cc1 ZINC000100294107 384630916 /nfs/dbraw/zinc/63/09/16/384630916.db2.gz BSXYYAYAWJSCIY-UHFFFAOYSA-N -1 0 241.268 1.060 50 0 BDAARM C[C@@H](C(=O)NCCC(=O)[O-])c1cccs1 ZINC000123630938 384649627 /nfs/dbraw/zinc/64/96/27/384649627.db2.gz WVTBRVGOFLRFJM-SSDOTTSWSA-N -1 0 227.285 1.443 50 0 BDAARM CN(C)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000082929772 384726478 /nfs/dbraw/zinc/72/64/78/384726478.db2.gz ARAVVLJBNZKFGX-UHFFFAOYSA-N -1 0 205.257 1.869 50 0 BDAARM O=S(=O)(Cc1ccc(F)cc1)c1ncc[n-]1 ZINC000078817135 384714911 /nfs/dbraw/zinc/71/49/11/384714911.db2.gz ANTQFOSVLKNUTR-UHFFFAOYSA-N -1 0 240.259 1.523 50 0 BDAARM Cc1ccncc1[N-]S(=O)(=O)c1cccnc1 ZINC000085235450 384767605 /nfs/dbraw/zinc/76/76/05/384767605.db2.gz HZSOTRWOTZUVRM-UHFFFAOYSA-N -1 0 249.295 1.586 50 0 BDAARM Cc1cc[nH]c1C(=O)N(CC(=O)[O-])CC(C)C ZINC000426477607 384830365 /nfs/dbraw/zinc/83/03/65/384830365.db2.gz SSOFWIRLSQRBOB-UHFFFAOYSA-N -1 0 238.287 1.506 50 0 BDAARM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccnc1 ZINC000178258735 384875133 /nfs/dbraw/zinc/87/51/33/384875133.db2.gz SYBBUWGNYIKELO-GXSJLCMTSA-N -1 0 248.282 1.118 50 0 BDAARM Nc1ccc(Br)nc1C(=O)[O-] ZINC000084312939 384859973 /nfs/dbraw/zinc/85/99/73/384859973.db2.gz HXBNYDVCPBSMTF-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM C[C@H](NC(=O)CCC(=O)[O-])C(=O)c1ccccc1 ZINC000057218747 384932564 /nfs/dbraw/zinc/93/25/64/384932564.db2.gz YFPBAJNPXNBYJU-VIFPVBQESA-N -1 0 249.266 1.239 50 0 BDAARM Cc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])cc1 ZINC000070310748 384989248 /nfs/dbraw/zinc/98/92/48/384989248.db2.gz OQCZRTFVNCDGRP-SNVBAGLBSA-N -1 0 235.283 1.978 50 0 BDAARM O=C([O-])c1ccc2nc3c(nc2c1)C(O)C3=O ZINC000032219972 385137262 /nfs/dbraw/zinc/13/72/62/385137262.db2.gz LGPJVOZPQKPIIC-UHFFFAOYSA-N -1 0 230.179 1.583 50 0 BDAARM O=C([O-])c1csc(Nc2ccccn2)n1 ZINC000061957858 385146633 /nfs/dbraw/zinc/14/66/33/385146633.db2.gz BPCKVRSSTCYOCV-UHFFFAOYSA-N -1 0 221.241 1.980 50 0 BDAARM CC(=O)N[C@H]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000000328200 385279777 /nfs/dbraw/zinc/27/97/77/385279777.db2.gz BBNRPFXNYBFATO-GXTWGEPZSA-N -1 0 247.294 1.698 50 0 BDAARM CN(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000156001942 385429188 /nfs/dbraw/zinc/42/91/88/385429188.db2.gz JOQRZQJSDFDNNR-QWRGUYRKSA-N -1 0 248.282 1.118 50 0 BDAARM O=C([O-])CCCNC(=O)CCC1CCCC1 ZINC000022210654 385897902 /nfs/dbraw/zinc/89/79/02/385897902.db2.gz ZAMZHZONUMJBPU-UHFFFAOYSA-N -1 0 227.304 1.938 50 0 BDAARM COCn1ncnc1Oc1ccc(C(=O)[O-])cc1 ZINC000216630137 385869936 /nfs/dbraw/zinc/86/99/36/385869936.db2.gz VVWRYYKJWOJJIL-UHFFFAOYSA-N -1 0 249.226 1.373 50 0 BDAARM O=C([O-])CCC(=O)NCCCc1nccs1 ZINC000290586318 386540597 /nfs/dbraw/zinc/54/05/97/386540597.db2.gz QBGLVHOTHCZCLC-UHFFFAOYSA-N -1 0 242.300 1.057 50 0 BDAARM Cn1c(=O)cc(/C=C/C(=O)[O-])c2ccccc21 ZINC000084783735 386755964 /nfs/dbraw/zinc/75/59/64/386755964.db2.gz VLYYTACJGGNXSK-VOTSOKGWSA-N -1 0 229.235 1.636 50 0 BDAARM Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])co1 ZINC000129847395 387043395 /nfs/dbraw/zinc/04/33/95/387043395.db2.gz VEHJGGFMFQXTIH-GFCCVEGCSA-N -1 0 237.255 1.667 50 0 BDAARM c1n[n-]c(=Nc2cccnc2)n1C[C@H]1CCCO1 ZINC000333129347 387018279 /nfs/dbraw/zinc/01/82/79/387018279.db2.gz ASEGDRQVHJEAMG-LLVKDONJSA-N -1 0 245.286 1.018 50 0 BDAARM Cc1cc(O)ccc1NC(=O)/C=C/C(=O)[O-] ZINC000006556594 387202537 /nfs/dbraw/zinc/20/25/37/387202537.db2.gz ZMIMYKWCTIRVED-SNAWJCMRSA-N -1 0 221.212 1.280 50 0 BDAARM CCc1cccc(NC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000006604969 387418165 /nfs/dbraw/zinc/41/81/65/387418165.db2.gz YPVRROLQEGPCBN-MRVPVSSYSA-N -1 0 236.271 1.844 50 0 BDAARM O=C([O-])CCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000251094832 387485254 /nfs/dbraw/zinc/48/52/54/387485254.db2.gz IYWZIRNWNVCCTK-MBTKJCJQSA-N -1 0 211.261 1.014 50 0 BDAARM CC(C)(C(=O)N1CC=C[C@H]1C(=O)[O-])n1cccc1 ZINC000426513773 387578858 /nfs/dbraw/zinc/57/88/58/387578858.db2.gz WNANNCAGZOHPQX-JTQLQIEISA-N -1 0 248.282 1.075 50 0 BDAARM O[C@H]1CCCC[C@@H]1CN=c1[n-]nc(C(F)F)o1 ZINC000432314632 387780007 /nfs/dbraw/zinc/78/00/07/387780007.db2.gz RIBBMKKUURCOOG-RQJHMYQMSA-N -1 0 247.245 1.392 50 0 BDAARM CCO[N-]C(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000036391295 387780427 /nfs/dbraw/zinc/78/04/27/387780427.db2.gz JLBLCAQTKWDQBU-KWQFWETISA-N -1 0 237.255 1.283 50 0 BDAARM COC(=O)c1ccc(CC(=O)[O-])s1 ZINC000075629594 387855043 /nfs/dbraw/zinc/85/50/43/387855043.db2.gz FWGNSHYUHXVVHJ-UHFFFAOYSA-N -1 0 200.215 1.162 50 0 BDAARM Cn1c(C(=O)[O-])cc2cnc(Cl)nc21 ZINC000238529547 387872182 /nfs/dbraw/zinc/87/21/82/387872182.db2.gz KVUGZODVGSOSFU-UHFFFAOYSA-N -1 0 211.608 1.320 50 0 BDAARM Cc1cc(C(F)F)nn1[C@@H](C)C(=O)[O-] ZINC000002732014 177832114 /nfs/dbraw/zinc/83/21/14/177832114.db2.gz OFPDXUOHYXDFMV-YFKPBYRVSA-N -1 0 204.176 1.775 50 0 BDAARM O=C([O-])CCCCCNC(=O)Cc1ccccc1 ZINC000001837657 387967584 /nfs/dbraw/zinc/96/75/84/387967584.db2.gz BTDJPHNTWHKTNT-UHFFFAOYSA-N -1 0 249.310 1.990 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000170625942 388261351 /nfs/dbraw/zinc/26/13/51/388261351.db2.gz GUXFPHRQZJBAQP-ZJUUUORDSA-N -1 0 225.288 1.500 50 0 BDAARM O=C([O-])c1cnc(/C=C/c2csnn2)s1 ZINC000169971025 388267378 /nfs/dbraw/zinc/26/73/78/388267378.db2.gz SFUDMIFIOLNEGQ-OWOJBTEDSA-N -1 0 239.281 1.863 50 0 BDAARM CCCCc1c(C)nc(NC#N)[n-]c1=O ZINC000009361297 388430989 /nfs/dbraw/zinc/43/09/89/388430989.db2.gz TVKZLXXJPNEHDD-UHFFFAOYSA-N -1 0 206.249 1.314 50 0 BDAARM O=C([O-])CCCCNC(=O)c1ccc(F)cc1 ZINC000070198236 388435273 /nfs/dbraw/zinc/43/52/73/388435273.db2.gz BDROKDOQKWRLRF-UHFFFAOYSA-N -1 0 239.246 1.810 50 0 BDAARM Cc1cc(C(=O)[O-])c(C)n1[C@@H]1CCOC1 ZINC000087783013 388593836 /nfs/dbraw/zinc/59/38/36/388593836.db2.gz OFWBGOZIJRDZGC-SECBINFHSA-N -1 0 209.245 1.765 50 0 BDAARM O=C([O-])C1(C(=O)N[C@@H]2C=CCCC2)CC1 ZINC000154983901 388594182 /nfs/dbraw/zinc/59/41/82/388594182.db2.gz MJRNTWUXOJMDBE-MRVPVSSYSA-N -1 0 209.245 1.076 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc21 ZINC000224817855 388594423 /nfs/dbraw/zinc/59/44/23/388594423.db2.gz VGBIQGXZLIOSPU-ZMLRMANQSA-N -1 0 245.278 1.163 50 0 BDAARM Cc1cc(C(=O)NCC(=O)[O-])nc2ccccc12 ZINC000154274317 388596617 /nfs/dbraw/zinc/59/66/17/388596617.db2.gz SUOQVWWOAYYUQC-UHFFFAOYSA-N -1 0 244.250 1.358 50 0 BDAARM O=c1cc([C@H]2C[C@@H](Nc3ncccn3)C2)nc[nH]1 ZINC000253535092 388611622 /nfs/dbraw/zinc/61/16/22/388611622.db2.gz HHYYSCRYCTYFME-DTORHVGOSA-N -1 0 243.270 1.330 50 0 BDAARM COC(=O)c1ccc2c(c1)[nH]nc2C(=O)[O-] ZINC000014984747 388681749 /nfs/dbraw/zinc/68/17/49/388681749.db2.gz AZTKLZPDTBASOO-UHFFFAOYSA-N -1 0 220.184 1.048 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccccc1 ZINC000095970358 388797680 /nfs/dbraw/zinc/79/76/80/388797680.db2.gz SZKJSCXJBNZRNA-QWRGUYRKSA-N -1 0 249.310 1.845 50 0 BDAARM O=C([O-])Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000020438805 388769751 /nfs/dbraw/zinc/76/97/51/388769751.db2.gz OZRWTIQMBSWTIR-UHFFFAOYSA-N -1 0 220.203 1.843 50 0 BDAARM O=C1Nc2ccccc2O[C@]1([O-])C(F)(F)F ZINC000002479692 388837499 /nfs/dbraw/zinc/83/74/99/388837499.db2.gz QDPPYJJMUMSMIL-QMMMGPOBSA-N -1 0 233.145 1.268 50 0 BDAARM Cc1cc(C)nc(N2CCC(C(=O)[O-])CC2)n1 ZINC000000154381 132312925 /nfs/dbraw/zinc/31/29/25/132312925.db2.gz HKGJIAQYOSHPHU-UHFFFAOYSA-N -1 0 235.287 1.394 50 0 BDAARM CCN(CC(=O)[O-])C(=O)/C=C\c1ccsc1 ZINC000221911441 169725375 /nfs/dbraw/zinc/72/53/75/169725375.db2.gz SWFALQREWXNVTF-ARJAWSKDSA-N -1 0 239.296 1.694 50 0 BDAARM O=C([O-])c1ccc(N2CCCCC2=O)cc1 ZINC000002524428 132314697 /nfs/dbraw/zinc/31/46/97/132314697.db2.gz WNHDBSPODXLMRX-UHFFFAOYSA-N -1 0 219.240 1.902 50 0 BDAARM C[C@H](C(=O)[O-])N1c2ccccc2O[C@@H](C)C1=O ZINC000005185140 132317219 /nfs/dbraw/zinc/31/72/19/132317219.db2.gz TYKNSYRLVRTNBF-SFYZADRCSA-N -1 0 235.239 1.274 50 0 BDAARM Cc1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000005625820 132317710 /nfs/dbraw/zinc/31/77/10/132317710.db2.gz KTPJEEDKWCVOLM-UHFFFAOYSA-N -1 0 207.277 1.315 50 0 BDAARM O=C([O-])CN1C(=O)COc2c(Cl)cccc21 ZINC000006658098 132318441 /nfs/dbraw/zinc/31/84/41/132318441.db2.gz GOVMHVYWEWLWKB-UHFFFAOYSA-N -1 0 241.630 1.150 50 0 BDAARM O=C([O-])c1ccnc(N2CCCCC2)n1 ZINC000032918400 132335734 /nfs/dbraw/zinc/33/57/34/132335734.db2.gz FIPFZKSXFLHCIG-UHFFFAOYSA-N -1 0 207.233 1.165 50 0 BDAARM COc1cc(N2CCOCC2)ccc1C(=O)[O-] ZINC000035287424 132337989 /nfs/dbraw/zinc/33/79/89/132337989.db2.gz UIZFHJSHLCHKES-UHFFFAOYSA-N -1 0 237.255 1.230 50 0 BDAARM O=C([O-])c1cc(Cl)nc(N2CCOCC2)c1 ZINC000036960160 132343053 /nfs/dbraw/zinc/34/30/53/132343053.db2.gz SXCMQRJYKRVMRV-UHFFFAOYSA-N -1 0 242.662 1.270 50 0 BDAARM O=C([O-])c1ccc(N2CCOCC2)nc1Cl ZINC000066055023 132390470 /nfs/dbraw/zinc/39/04/70/132390470.db2.gz UYTBVDIXOZASRT-UHFFFAOYSA-N -1 0 242.662 1.270 50 0 BDAARM O=C([O-])[C@H]1CN(c2cccc(F)c2)CCO1 ZINC000072343744 132396662 /nfs/dbraw/zinc/39/66/62/132396662.db2.gz FLXLSAHUYGGLMV-SNVBAGLBSA-N -1 0 225.219 1.116 50 0 BDAARM CO[C@H](C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000169148748 134249513 /nfs/dbraw/zinc/24/95/13/134249513.db2.gz SAXWQSZZEBGNSL-ZJUUUORDSA-N -1 0 243.303 1.267 50 0 BDAARM C[C@@H](CN(C)C(=O)[C@@]1(C)CC1(F)F)C(=O)[O-] ZINC000263189971 135338434 /nfs/dbraw/zinc/33/84/34/135338434.db2.gz LCPZARDCDPATOM-IMTBSYHQSA-N -1 0 235.230 1.211 50 0 BDAARM C[C@H](NC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-] ZINC000263202754 135339300 /nfs/dbraw/zinc/33/93/00/135339300.db2.gz VIOCGNISEXJAJT-VIFPVBQESA-N -1 0 245.278 1.849 50 0 BDAARM CCN(CCC(=O)[O-])C(=O)[C@@]1(C)CC1(F)F ZINC000263265124 135343626 /nfs/dbraw/zinc/34/36/26/135343626.db2.gz VHEHHQQSTKDMCG-SECBINFHSA-N -1 0 235.230 1.355 50 0 BDAARM Cc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)co1 ZINC000263533057 135358149 /nfs/dbraw/zinc/35/81/49/135358149.db2.gz NIKNJRFKWNTZFK-LLVKDONJSA-N -1 0 241.218 1.227 50 0 BDAARM CC(C)c1nnc(N(C)C[C@H](C)C(=O)[O-])s1 ZINC000263542128 135358860 /nfs/dbraw/zinc/35/88/60/135358860.db2.gz DLMZFHBZASNFIU-ZETCQYMHSA-N -1 0 243.332 1.818 50 0 BDAARM C[C@@H](CN(C)c1ccnc2c1cnn2C)C(=O)[O-] ZINC000263543537 135358938 /nfs/dbraw/zinc/35/89/38/135358938.db2.gz FIABREWELFTYHS-QMMMGPOBSA-N -1 0 248.286 1.125 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)C[C@H]1CCCCO1 ZINC000082247369 135431048 /nfs/dbraw/zinc/43/10/48/135431048.db2.gz LKRLYDLASOYCCB-SNVBAGLBSA-N -1 0 243.303 1.269 50 0 BDAARM CCCc1cc(C([O-])=CC(=O)OC)no1 ZINC000020446770 397964991 /nfs/dbraw/zinc/96/49/91/397964991.db2.gz RQHLOAOODRINPM-UHFFFAOYSA-N -1 0 211.217 1.373 50 0 BDAARM O=C([O-])c1cccc(OC[C@@H]2CCCCO2)n1 ZINC000051041571 398054097 /nfs/dbraw/zinc/05/40/97/398054097.db2.gz UIZMPUQMXOCNIR-VIFPVBQESA-N -1 0 237.255 1.728 50 0 BDAARM N[C@@](C(=O)[O-])(c1ccccc1F)C(F)(F)F ZINC000069548783 398113747 /nfs/dbraw/zinc/11/37/47/398113747.db2.gz RHJJESUFHXMQBS-MRVPVSSYSA-N -1 0 237.152 1.627 50 0 BDAARM O=C([O-])C12CC(C1)CN2C(=O)[C@@H]1CC=CCC1 ZINC000585094073 487578238 /nfs/dbraw/zinc/57/82/38/487578238.db2.gz RGXGYAITLRKROO-RUETXSTFSA-N -1 0 235.283 1.418 50 0 BDAARM CC(C)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000037657388 167320026 /nfs/dbraw/zinc/32/00/26/167320026.db2.gz YSHCMQHKKPQZHE-UHFFFAOYSA-N -1 0 243.284 1.535 50 0 BDAARM CC(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000003260002 166463711 /nfs/dbraw/zinc/46/37/11/166463711.db2.gz SQGYWRZISBCKMW-JTQLQIEISA-N -1 0 247.250 1.327 50 0 in-vivo BDAARM CC(C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004647148 167082237 /nfs/dbraw/zinc/08/22/37/167082237.db2.gz JCMHNFKSHATAGJ-BDAKNGLRSA-N -1 0 211.261 1.178 50 0 BDAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000040938 167344854 /nfs/dbraw/zinc/34/48/54/167344854.db2.gz UUIPGCXIZVZSEC-JTQLQIEISA-N -1 0 247.250 1.392 50 0 in-vitro BDAARM CC(C)[C@@H](C(=O)[O-])N1Cc2cccnc2C1=O ZINC000040449760 167346147 /nfs/dbraw/zinc/34/61/47/167346147.db2.gz IUVJQLCLTUQTTJ-JTQLQIEISA-N -1 0 234.255 1.147 50 0 BDAARM CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000011889831 167429322 /nfs/dbraw/zinc/42/93/22/167429322.db2.gz WGALSUVQPQPQQN-SNVBAGLBSA-N -1 0 239.246 1.665 50 0 BDAARM CN(C(=O)c1ccsc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659227880 411379895 /nfs/dbraw/zinc/37/98/95/411379895.db2.gz HFMFQFXNVOPOFO-DTORHVGOSA-N -1 0 239.296 1.683 50 0 BDAARM CC1CCN(C(=S)SCC(=O)[O-])CC1 ZINC000003440567 168178076 /nfs/dbraw/zinc/17/80/76/168178076.db2.gz FYAKCSHLBGKNDW-UHFFFAOYSA-N -1 0 233.358 1.821 50 0 BDAARM CCOC(=O)C=C([O-])c1ccccc1OC ZINC000002243627 170197389 /nfs/dbraw/zinc/19/73/89/170197389.db2.gz KROPYAVVJDXRPH-UHFFFAOYSA-N -1 0 222.240 1.831 50 0 BDAARM CCOC(=O)C[C@H](c1nnn[n-]1)c1ccccc1 ZINC000061997426 170232208 /nfs/dbraw/zinc/23/22/08/170232208.db2.gz PNBDOJYWQFKNKV-JTQLQIEISA-N -1 0 246.270 1.285 50 0 BDAARM CCOC(=O)Cc1c(C)nc2cc(C)[n-]n2c1=O ZINC000104094606 170234465 /nfs/dbraw/zinc/23/44/65/170234465.db2.gz UKQWFJNTOVBSRM-UHFFFAOYSA-N -1 0 249.270 1.157 50 0 BDAARM CCOC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000001749373 170244242 /nfs/dbraw/zinc/24/42/42/170244242.db2.gz RKIVZBJACRLMMZ-UHFFFAOYSA-N -1 0 225.200 1.659 50 0 BDAARM CCOC(=O)C1=C([O-])c2cnccc2CC1 ZINC000091692798 170282314 /nfs/dbraw/zinc/28/23/14/170282314.db2.gz LPGAXSLNOCINCN-VIFPVBQESA-N -1 0 219.240 1.390 50 0 BDAARM CCOC(=O)c1[nH]c(C)c(CCC(=O)[O-])c1C ZINC000000179374 170286577 /nfs/dbraw/zinc/28/65/77/170286577.db2.gz CUMYMXCUGHBKLV-UHFFFAOYSA-N -1 0 239.271 1.825 50 0 biogenic BDAARM CCOC(=O)c1c(C)nc(SC)[n-]c1=O ZINC000039120219 170288592 /nfs/dbraw/zinc/28/85/92/170288592.db2.gz VNKIDUDNEBXUHO-UHFFFAOYSA-N -1 0 228.273 1.389 50 0 BDAARM CCOC(=O)c1ccc2[nH]c(=O)c(C)c([O-])c2c1 ZINC000004632301 170298011 /nfs/dbraw/zinc/29/80/11/170298011.db2.gz FEDDLCOMYQAPDG-UHFFFAOYSA-N -1 0 247.250 1.719 50 0 biogenic,in-vitro BDAARM CC[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000022220592 170682747 /nfs/dbraw/zinc/68/27/47/170682747.db2.gz MFVGNVWWWJGWNR-ZYHUDNBSSA-N -1 0 249.310 1.845 50 0 BDAARM CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)CC)C(=O)[O-] ZINC000019259522 171253309 /nfs/dbraw/zinc/25/33/09/171253309.db2.gz QJLZYNXRYSLEOV-HRDYMLBCSA-N -1 0 215.293 1.648 50 0 BDAARM CC[C@H](C)[C@H](C)C(=O)Nc1nc(OC)n[nH]1 ZINC000097079781 171385178 /nfs/dbraw/zinc/38/51/78/171385178.db2.gz UCPMDNYUOVGZEZ-BQBZGAKWSA-N -1 0 226.280 1.434 50 0 BDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)ccc21 ZINC000026463024 172157397 /nfs/dbraw/zinc/15/73/97/172157397.db2.gz MGJXIOXOKWLZFS-UHFFFAOYSA-N -1 0 235.214 1.859 50 0 BDAARM CCn1ccc(CSCC(=O)[O-])n1 ZINC000012398835 172201578 /nfs/dbraw/zinc/20/15/78/172201578.db2.gz KFOWTVDCKNFJMY-UHFFFAOYSA-N -1 0 200.263 1.221 50 0 BDAARM CCn1nc(C)c(-c2cc(C(=O)[O-])n[nH]2)c1C ZINC000008738562 172241898 /nfs/dbraw/zinc/24/18/98/172241898.db2.gz MYUXPJBRMDDBIF-UHFFFAOYSA-N -1 0 234.259 1.608 50 0 BDAARM CCn1nc(C)c(C(=O)[O-])c1C(F)F ZINC000074941794 172245160 /nfs/dbraw/zinc/24/51/60/172245160.db2.gz FKMBFUPWRGRSII-UHFFFAOYSA-N -1 0 204.176 1.847 50 0 BDAARM CN(C)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000043828282 172382526 /nfs/dbraw/zinc/38/25/26/172382526.db2.gz KGKUAADCNJRCNB-UHFFFAOYSA-N -1 0 223.228 1.374 50 0 BDAARM CN1CC[C@](Cc2ccccc2)(C(=O)[O-])C1=O ZINC000390822137 173162463 /nfs/dbraw/zinc/16/24/63/173162463.db2.gz KBCMAFCOTKGLPA-CYBMUJFWSA-N -1 0 233.267 1.162 50 0 BDAARM CN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000002726205 173166910 /nfs/dbraw/zinc/16/69/10/173166910.db2.gz OTTRGAKRWFQDPD-UHFFFAOYSA-N -1 0 230.267 1.854 50 0 biogenic BDAARM CNC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000011919766 173308131 /nfs/dbraw/zinc/30/81/31/173308131.db2.gz OLOKREPGYJVILA-RDDDGLTNSA-N -1 0 213.277 1.260 50 0 BDAARM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1(C)C ZINC000003172353 173732054 /nfs/dbraw/zinc/73/20/54/173732054.db2.gz GUWTYPYGDNFFPO-RQJHMYQMSA-N -1 0 200.234 1.296 50 0 BDAARM COC(=O)C1=C([O-])c2ccc(Cl)cc2C1 ZINC000034613452 173751290 /nfs/dbraw/zinc/75/12/90/173751290.db2.gz BYUCBODSULLYIS-SECBINFHSA-N -1 0 224.643 1.868 50 0 BDAARM COC(=O)[C@@]1(C)CC[C@H](C(=O)[O-])C1(C)C ZINC000000160439 173759459 /nfs/dbraw/zinc/75/94/59/173759459.db2.gz CNHMFZIFLREWPF-RDDDGLTNSA-N -1 0 214.261 1.687 50 0 BDAARM COC(=O)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215745 173845180 /nfs/dbraw/zinc/84/51/80/173845180.db2.gz KMALNJWPHHYHSM-UHFFFAOYSA-N -1 0 225.225 1.082 50 0 BDAARM COC(=O)c1cc(=O)c2cc(F)cc(C)c2[n-]1 ZINC000067172608 173849738 /nfs/dbraw/zinc/84/97/38/173849738.db2.gz JQMCRHDKKJNBDR-UHFFFAOYSA-N -1 0 235.214 1.762 50 0 BDAARM COCCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000053730997 174123460 /nfs/dbraw/zinc/12/34/60/174123460.db2.gz CHMDQPDOUBUAOY-JTQLQIEISA-N -1 0 243.303 1.126 50 0 BDAARM COCCCOc1ccc(C(=O)[O-])cn1 ZINC000037747046 174256741 /nfs/dbraw/zinc/25/67/41/174256741.db2.gz XNSDREBZJORDTN-UHFFFAOYSA-N -1 0 211.217 1.195 50 0 BDAARM COCCCn1c(C)cc(C(=O)[O-])c1C ZINC000016577415 174265327 /nfs/dbraw/zinc/26/53/27/174265327.db2.gz RVAKZEVLRPWVPQ-UHFFFAOYSA-N -1 0 211.261 1.840 50 0 BDAARM COc1c(F)ccc(CC(=O)[O-])c1F ZINC000002527862 174931388 /nfs/dbraw/zinc/93/13/88/174931388.db2.gz BRCGWQOBPODKMO-UHFFFAOYSA-N -1 0 202.156 1.601 50 0 BDAARM COc1cc(C(=O)[O-])c2ccccc2n1 ZINC000000870610 174949583 /nfs/dbraw/zinc/94/95/83/174949583.db2.gz ZMHKFJMROFPASK-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 biogenic BDAARM COc1cc(OC)c(OC)cc1CCC(=O)[O-] ZINC000014818019 175007264 /nfs/dbraw/zinc/00/72/64/175007264.db2.gz UGHPWKLKDZLPNM-UHFFFAOYSA-N -1 0 240.255 1.730 50 0 biogenic,in-vitro BDAARM COc1ccc(-c2n[nH]cc2C(=O)[O-])c(OC)c1 ZINC000020439798 175029523 /nfs/dbraw/zinc/02/95/23/175029523.db2.gz WQYRQAVCFMRHDW-UHFFFAOYSA-N -1 0 248.238 1.792 50 0 BDAARM COc1ccc(-c2n[nH]c(=S)[n-]c2=O)cc1 ZINC000003888563 175041344 /nfs/dbraw/zinc/04/13/44/175041344.db2.gz VJMUFAGEOUHHMR-UHFFFAOYSA-N -1 0 235.268 1.915 50 0 BDAARM COc1ccc(-c2nnc(CC(=O)[O-])o2)cc1 ZINC000000409483 175041739 /nfs/dbraw/zinc/04/17/39/175041739.db2.gz CTXDQTXAKRFJFL-UHFFFAOYSA-N -1 0 234.211 1.372 50 0 BDAARM COc1ccc(/C=C/C(=O)[O-])cc1OC ZINC000000116202 175047559 /nfs/dbraw/zinc/04/75/59/175047559.db2.gz HJBWJAPEBGSQPR-GQCTYLIASA-N -1 0 208.213 1.802 50 0 endogenous,in-man BDAARM COc1ccc(C(=O)CCC(=O)[O-])cn1 ZINC000043210587 175053804 /nfs/dbraw/zinc/05/38/04/175053804.db2.gz QTQSOGJEIFPNMN-UHFFFAOYSA-N -1 0 209.201 1.138 50 0 BDAARM COc1ccc(C(=O)[O-])cc1Cn1nccc1C ZINC000034925067 175064895 /nfs/dbraw/zinc/06/48/95/175064895.db2.gz JYHXQNVXCUZDKP-UHFFFAOYSA-N -1 0 246.266 1.947 50 0 BDAARM COc1ccc(C(C)=O)c(OCC(=O)[O-])c1 ZINC000009028486 175068058 /nfs/dbraw/zinc/06/80/58/175068058.db2.gz DJPUGKVFRDJSMK-UHFFFAOYSA-N -1 0 224.212 1.361 50 0 BDAARM COc1ccc(CC(=O)[O-])c(O)c1OC ZINC000005526789 175087739 /nfs/dbraw/zinc/08/77/39/175087739.db2.gz HHPXHPDEQVZBTJ-UHFFFAOYSA-N -1 0 212.201 1.037 50 0 BDAARM COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000037517405 175104685 /nfs/dbraw/zinc/10/46/85/175104685.db2.gz FNGYZRSNAHPDCP-GHMZBOCLSA-N -1 0 249.266 1.032 50 0 BDAARM COc1ccc(N2CC[C@@H](C(=O)[O-])C2=O)cc1 ZINC000006646594 175139807 /nfs/dbraw/zinc/13/98/07/175139807.db2.gz AIMIQQQEWMWGNW-SNVBAGLBSA-N -1 0 235.239 1.133 50 0 BDAARM COc1ccc(OC)c(C(=O)[O-])c1OC ZINC000004798423 175164511 /nfs/dbraw/zinc/16/45/11/175164511.db2.gz NSKSXYUOXAQHCH-UHFFFAOYSA-N -1 0 212.201 1.411 50 0 BDAARM COc1ccc(OC)c([C@@H](O)CCC(=O)[O-])c1 ZINC000004939577 175168084 /nfs/dbraw/zinc/16/80/84/175168084.db2.gz RZQMALHEURKIFF-JTQLQIEISA-N -1 0 240.255 1.602 50 0 BDAARM COc1ccc(OCC2(C(=O)[O-])COC2)cc1 ZINC000071654964 175172172 /nfs/dbraw/zinc/17/21/72/175172172.db2.gz YRQZPKQTHSVGGN-UHFFFAOYSA-N -1 0 238.239 1.175 50 0 BDAARM COc1ccc([C@H](C)C(=O)[O-])cc1OC ZINC000019726370 175187267 /nfs/dbraw/zinc/18/72/67/175187267.db2.gz KWOMNGWHOBWKBP-ZETCQYMHSA-N -1 0 210.229 1.892 50 0 BDAARM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2C=O ZINC000000489560 175204576 /nfs/dbraw/zinc/20/45/76/175204576.db2.gz ZAEVIKWGVRHQAW-UHFFFAOYSA-N -1 0 219.196 1.687 50 0 biogenic BDAARM COc1ccc2c(c1)OC[C@H](C(=O)[O-])C2 ZINC000002566752 175212766 /nfs/dbraw/zinc/21/27/66/175212766.db2.gz SVDWMRTZSYORGU-MRVPVSSYSA-N -1 0 208.213 1.331 50 0 BDAARM COc1ccc2c(c1)[C@@H](CC(=O)[O-])C(=O)N2 ZINC000019093636 175213920 /nfs/dbraw/zinc/21/39/20/175213920.db2.gz KUMQZWGBZRNGQO-MRVPVSSYSA-N -1 0 221.212 1.206 50 0 BDAARM COc1ccc2cc(C(=O)[O-])nnc2c1 ZINC000012505609 175224096 /nfs/dbraw/zinc/22/40/96/175224096.db2.gz OQKNTWCKGQSTOC-UHFFFAOYSA-N -1 0 204.185 1.337 50 0 BDAARM COc1cccc(C(=O)[O-])c1OC(F)F ZINC000003278553 175246595 /nfs/dbraw/zinc/24/65/95/175246595.db2.gz FDSBERKHOFDDQL-UHFFFAOYSA-N -1 0 218.155 1.995 50 0 BDAARM COc1ccccc1-c1nc(C(=O)[O-])c[nH]1 ZINC000020444933 175310841 /nfs/dbraw/zinc/31/08/41/175310841.db2.gz MHHIAPQGMVZIRV-UHFFFAOYSA-N -1 0 218.212 1.784 50 0 BDAARM COc1ccccc1N1C[C@H](C(=O)[O-])CC1=O ZINC000000194138 175336211 /nfs/dbraw/zinc/33/62/11/175336211.db2.gz BQQBMILQUDEPIK-MRVPVSSYSA-N -1 0 235.239 1.133 50 0 BDAARM COc1cnc2ccccc2c1C(=O)[O-] ZINC000084028201 175382697 /nfs/dbraw/zinc/38/26/97/175382697.db2.gz ZEDCFLNCVWDQHW-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 BDAARM C[C@@H](C(=O)[O-])n1sc2ccccc2c1=O ZINC000006919193 175628420 /nfs/dbraw/zinc/62/84/20/175628420.db2.gz OMDISURAFHPIHS-LURJTMIESA-N -1 0 223.253 1.709 50 0 BDAARM C[C@@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000071384811 175835038 /nfs/dbraw/zinc/83/50/38/175835038.db2.gz VCIJMXANKNMVSH-SECBINFHSA-N -1 0 246.266 1.231 50 0 BDAARM C[C@@H](c1c[nH]c2ccccc21)[C@@H](O)C(=O)[O-] ZINC000012401856 176013493 /nfs/dbraw/zinc/01/34/93/176013493.db2.gz NUFXPJOTSOMKFZ-WRWORJQWSA-N -1 0 219.240 1.717 50 0 biogenic,in-vitro BDAARM C[C@@H]1C[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000097036700 176399233 /nfs/dbraw/zinc/39/92/33/176399233.db2.gz NZUZZTOOBFSNBL-SKDRFNHKSA-N -1 0 247.294 1.842 50 0 BDAARM C[C@@H]1Oc2cc(C(=O)[O-])ccc2NC1=O ZINC000022995878 176486659 /nfs/dbraw/zinc/48/66/59/176486659.db2.gz RPOUWCXCBDMKRO-YFKPBYRVSA-N -1 0 207.185 1.104 50 0 BDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000062912948 176528023 /nfs/dbraw/zinc/52/80/23/176528023.db2.gz QPEMIKKICBJAFT-GXFFZTMASA-N -1 0 237.299 1.666 50 0 BDAARM C[C@H](C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000019726372 176586046 /nfs/dbraw/zinc/58/60/46/176586046.db2.gz REEHPTZXDPTHNZ-ZETCQYMHSA-N -1 0 208.213 1.646 50 0 BDAARM C[C@H](O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000006476690 177003250 /nfs/dbraw/zinc/00/32/50/177003250.db2.gz GGPFOCXRQWRYNE-ZETCQYMHSA-N -1 0 236.296 1.440 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000009669328 177310762 /nfs/dbraw/zinc/31/07/62/177310762.db2.gz RBXBZCVQGXQQDT-MXWKQRLJSA-N -1 0 241.331 1.992 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019267305 177340193 /nfs/dbraw/zinc/34/01/93/177340193.db2.gz IJTOTRUJDDJHPO-KWQFWETISA-N -1 0 233.267 1.657 50 0 BDAARM C[C@H]1C[C@@H]1CNS(=O)(=O)c1cccs1 ZINC000032473107 177345989 /nfs/dbraw/zinc/34/59/89/177345989.db2.gz IFKRFKMZFJWCFN-JGVFFNPUSA-N -1 0 231.342 1.682 50 0 BDAARM C[C@H]1C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000134069126 177377319 /nfs/dbraw/zinc/37/73/19/177377319.db2.gz ZKHHNWPRCVVSIZ-MVWJERBFSA-N -1 0 247.294 1.455 50 0 BDAARM C[C@H]1Oc2cc(C(=O)[O-])ccc2NC1=O ZINC000022995879 177411097 /nfs/dbraw/zinc/41/10/97/177411097.db2.gz RPOUWCXCBDMKRO-RXMQYKEDSA-N -1 0 207.185 1.104 50 0 BDAARM Cc1[nH]c2ccccc2c1C1NC(=O)[N-]C(=O)N1 ZINC000000507152 177515518 /nfs/dbraw/zinc/51/55/18/177515518.db2.gz QMYBFQSMUCXIQD-UHFFFAOYSA-N -1 0 244.254 1.497 50 0 BDAARM Cc1cc(C(=O)N2CC=C[C@@H]2C(=O)[O-])cs1 ZINC000534591510 323154403 /nfs/dbraw/zinc/15/44/03/323154403.db2.gz MHAWEBOQMKNEJD-SECBINFHSA-N -1 0 237.280 1.522 50 0 BDAARM CN(C)c1ccccc1-c1cnn(CC(=O)[O-])c1 ZINC000534637798 323157047 /nfs/dbraw/zinc/15/70/47/323157047.db2.gz JSQMZWHCJLHSPV-UHFFFAOYSA-N -1 0 245.282 1.701 50 0 BDAARM O=[P@@]([O-])(O)CCCc1ccccc1 ZINC000034768564 323235751 /nfs/dbraw/zinc/23/57/51/323235751.db2.gz KAHDGZROTZTIJZ-UHFFFAOYSA-N -1 0 200.174 1.797 50 0 BDAARM CCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091896785 488074001 /nfs/dbraw/zinc/07/40/01/488074001.db2.gz PCGAYQNQQNDFDY-VHSXEESVSA-N -1 0 242.319 1.395 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2ccoc2)C1 ZINC000085006445 488120757 /nfs/dbraw/zinc/12/07/57/488120757.db2.gz RDNOFEVSTQSCBG-CBAPKCEASA-N -1 0 223.228 1.263 50 0 BDAARM C[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000229331275 490562439 /nfs/dbraw/zinc/56/24/39/490562439.db2.gz QJEOIFCLEJKNLQ-MRVPVSSYSA-N -1 0 233.267 1.835 50 0 BDAARM CCC[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1nnn[n-]1 ZINC000242047843 521141778 /nfs/dbraw/zinc/14/17/78/521141778.db2.gz VQORVLYIYKGCQJ-QCLAVDOMSA-N -1 0 249.318 1.203 50 0 BDAARM C[C@@](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)(C(=O)[O-])C1CC1 ZINC000251537055 525754919 /nfs/dbraw/zinc/75/49/19/525754919.db2.gz KQIIUROGHFEGSD-WTBMIXGQSA-N -1 0 237.299 1.402 50 0 BDAARM O=C([O-])C12CC(C1)CN2C(=O)c1ccccc1 ZINC000334163823 527560452 /nfs/dbraw/zinc/56/04/52/527560452.db2.gz JNYOJLXLGJTEEB-UHFFFAOYSA-N -1 0 231.251 1.376 50 0 BDAARM C/C=C/C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719939712 566282129 /nfs/dbraw/zinc/28/21/29/566282129.db2.gz VPTIUTCOZVEICU-NSCUHMNNSA-N -1 0 212.230 1.356 50 0 BDAARM CCOCC(=O)c1nc(C(=O)[O-])cs1 ZINC000757124710 582499320 /nfs/dbraw/zinc/49/93/20/582499320.db2.gz OCNDYGOFKCJQHY-UHFFFAOYSA-N -1 0 215.230 1.061 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)c1nc(C(=O)[O-])cs1 ZINC000757126342 582501171 /nfs/dbraw/zinc/50/11/71/582501171.db2.gz VXSODXWAHMVKNG-WHFBIAKZSA-N -1 0 211.242 1.680 50 0 BDAARM O=C([O-])C(=O)c1ccccc1OC(F)F ZINC000258220991 582700774 /nfs/dbraw/zinc/70/07/74/582700774.db2.gz QDCMQZQTCHLELV-UHFFFAOYSA-N -1 0 216.139 1.555 50 0 BDAARM O=C(C=C1CCC1)Nc1cncc(C(=O)[O-])c1 ZINC000863981663 589332601 /nfs/dbraw/zinc/33/26/01/589332601.db2.gz GHLGJDSKOKNJQV-UHFFFAOYSA-N -1 0 232.239 1.829 50 0 BDAARM CN(C)c1cc(C(=O)[O-])cc(Br)n1 ZINC000725347499 711664077 /nfs/dbraw/zinc/66/40/77/711664077.db2.gz ITUGXGGKXVGMKA-UHFFFAOYSA-N -1 0 245.076 1.608 50 0 BDAARM C[C@@H]1[C@@H](C)CN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000585119432 972152208 /nfs/dbraw/zinc/15/22/08/972152208.db2.gz HPZJTGKGTMNNCU-DTWKUNHWSA-N -1 0 246.314 1.648 50 0 BDAARM O=C([O-])Cc1cnn(Cc2ccccc2)c1 ZINC000169128634 968230502 /nfs/dbraw/zinc/23/05/02/968230502.db2.gz PEADHPPLQIYZAF-UHFFFAOYSA-N -1 0 216.240 1.559 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1c1nc2cccnc2[nH]1 ZINC000044263907 973693938 /nfs/dbraw/zinc/69/39/38/973693938.db2.gz GNYKHZOILRGLQF-NTSWFWBYSA-N -1 0 203.201 1.146 50 0 BDAARM O=C([O-])[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC000686648129 985190936 /nfs/dbraw/zinc/19/09/36/985190936.db2.gz XPIPLZHHJRBITM-WPRPVWTQSA-N -1 0 200.234 1.189 50 0 BDAARM O=C([O-])[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 ZINC000888107015 987311337 /nfs/dbraw/zinc/31/13/37/987311337.db2.gz NXQKUUMSQJJTAW-JTQLQIEISA-N -1 0 247.298 1.655 50 0 BDAARM CCO[C@@H](C)c1noc(CCC(=O)[O-])n1 ZINC000070827056 398139295 /nfs/dbraw/zinc/13/92/95/398139295.db2.gz WXLALZPGRICSGJ-LURJTMIESA-N -1 0 214.221 1.184 50 0 BDAARM Cc1cc(NC(=O)C2(C(=O)[O-])CC2)ccn1 ZINC000086114218 178125326 /nfs/dbraw/zinc/12/53/26/178125326.db2.gz OAZNNWXXNNDJOU-UHFFFAOYSA-N -1 0 220.228 1.193 50 0 BDAARM Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)no1 ZINC000061721969 178149303 /nfs/dbraw/zinc/14/93/03/178149303.db2.gz PNYZQYRRJNZCSF-SFYZADRCSA-N -1 0 238.243 1.278 50 0 BDAARM Cc1cc(S(=O)(=O)N(C)C)sc1C(=O)[O-] ZINC000037238820 178215933 /nfs/dbraw/zinc/21/59/33/178215933.db2.gz ACXNUZPQOBMKJB-UHFFFAOYSA-N -1 0 249.313 1.005 50 0 BDAARM Cc1cc(S(=O)(=O)[O-])cc(Cl)c1N ZINC000001690008 178217269 /nfs/dbraw/zinc/21/72/69/178217269.db2.gz DTQVHBIQMCFTSZ-UHFFFAOYSA-N -1 0 221.665 1.477 50 0 BDAARM Cc1cc2c(ncnc2NCCC(=O)[O-])s1 ZINC000008549563 178280187 /nfs/dbraw/zinc/28/01/87/178280187.db2.gz UPAZUKLRWQLRQP-UHFFFAOYSA-N -1 0 237.284 1.886 50 0 BDAARM Cc1cc2nc(C(=O)[O-])c(=O)n(C)c2cc1C ZINC000045796192 178299762 /nfs/dbraw/zinc/29/97/62/178299762.db2.gz HSXBRGNJMILINR-UHFFFAOYSA-N -1 0 232.239 1.249 50 0 BDAARM Cc1cc2nc(C(=O)[O-])cc(C(F)(F)F)n2n1 ZINC000012357570 178300897 /nfs/dbraw/zinc/30/08/97/178300897.db2.gz QEIUQXDDRPCDEX-UHFFFAOYSA-N -1 0 245.160 1.755 50 0 BDAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000062117481 178397120 /nfs/dbraw/zinc/39/71/20/178397120.db2.gz XALCIGRXYNVNSE-QMMMGPOBSA-N -1 0 239.296 1.603 50 0 BDAARM Cc1ccsc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000000082613 342673571 /nfs/dbraw/zinc/67/35/71/342673571.db2.gz DLPBHIQCNCYXEB-XPUUQOCRSA-N -1 0 229.326 1.845 50 0 BDAARM Cn1ccc(C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000000135952 342676330 /nfs/dbraw/zinc/67/63/30/342676330.db2.gz HCUCUHFEEJYUHU-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC000000234666 342680984 /nfs/dbraw/zinc/68/09/84/342680984.db2.gz RRHCZOBPABYIJZ-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000000236471 342680985 /nfs/dbraw/zinc/68/09/85/342680985.db2.gz ZOLDEFAIBWNKIN-UWVGGRQHSA-N -1 0 225.288 1.500 50 0 BDAARM C[C@@H](C(=O)[O-])c1nn(C)c(=O)c2ccccc21 ZINC000000334983 342683783 /nfs/dbraw/zinc/68/37/83/342683783.db2.gz LJHCOVCVTPGZNT-SSDOTTSWSA-N -1 0 232.239 1.122 50 0 BDAARM O=C([O-])c1ccc2c3c(cccc13)C(=O)NC2=O ZINC000000335858 342683821 /nfs/dbraw/zinc/68/38/21/342683821.db2.gz CQMSFSGRORDUGC-UHFFFAOYSA-N -1 0 241.202 1.422 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccnc1 ZINC000000397918 342686504 /nfs/dbraw/zinc/68/65/04/342686504.db2.gz AFWWQUGLCPAHPY-GHMZBOCLSA-N -1 0 248.282 1.911 50 0 BDAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccn1 ZINC000040162957 259315972 /nfs/dbraw/zinc/31/59/72/259315972.db2.gz YKPGTPDRMJJFDN-SKDRFNHKSA-N -1 0 248.282 1.464 50 0 biogenic BDAARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1C ZINC000000034947 342670383 /nfs/dbraw/zinc/67/03/83/342670383.db2.gz FVLRNFDPKXYNTR-JTQLQIEISA-N -1 0 233.267 1.741 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cccs2)C1 ZINC000000040091 342670964 /nfs/dbraw/zinc/67/09/64/342670964.db2.gz HNEDKCTVOYJYQI-SSDOTTSWSA-N -1 0 225.269 1.181 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2cccc(O)c2)N1 ZINC000000053468 342671502 /nfs/dbraw/zinc/67/15/02/342671502.db2.gz FJKZSYINEIIGCM-DTWKUNHWSA-N -1 0 225.269 1.180 50 0 BDAARM O=C([O-])[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000000056574 342671955 /nfs/dbraw/zinc/67/19/55/342671955.db2.gz SDGXYUQKJPFLDG-SSDOTTSWSA-N -1 0 220.146 1.823 50 0 BDAARM COc1c(F)c(F)c(C(=O)[O-])c(F)c1F ZINC000000556360 342690140 /nfs/dbraw/zinc/69/01/40/342690140.db2.gz MWSDDXXQRTVVDO-UHFFFAOYSA-N -1 0 224.109 1.950 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)[O-])C1 ZINC000001420822 342700355 /nfs/dbraw/zinc/70/03/55/342700355.db2.gz SKEXQIJIXQSFRX-MRVPVSSYSA-N -1 0 229.276 1.718 50 0 BDAARM Nc1cc(Cl)c(Cl)cc1S(=O)(=O)[O-] ZINC000001670002 342707831 /nfs/dbraw/zinc/70/78/31/342707831.db2.gz AKLDPNVZTZIVFA-UHFFFAOYSA-N -1 0 242.083 1.822 50 0 BDAARM COC(=O)CCCCCCCC(=O)[O-] ZINC000001690088 342709590 /nfs/dbraw/zinc/70/95/90/342709590.db2.gz VVWPSAPZUZXYCM-UHFFFAOYSA-N -1 0 202.250 1.975 50 0 biogenic,in-vitro BDAARM CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002384824 342719526 /nfs/dbraw/zinc/71/95/26/342719526.db2.gz PNFVIPIQXAIUAY-LURJTMIESA-N -1 0 203.238 1.374 50 0 BDAARM Cc1cc(N)cc(S(=O)(=O)[O-])c1C ZINC000002170562 342716792 /nfs/dbraw/zinc/71/67/92/342716792.db2.gz QIVCVJYFQJQEBP-UHFFFAOYSA-N -1 0 201.247 1.132 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1F ZINC000004105090 342742633 /nfs/dbraw/zinc/74/26/33/342742633.db2.gz UUPDSGSJUTZAKM-RNFRBKRXSA-N -1 0 223.203 1.485 50 0 BDAARM O=C([O-])c1cnc2c(F)cccc2c1O ZINC000004136850 342743112 /nfs/dbraw/zinc/74/31/12/342743112.db2.gz IZUDOGPKKWBGKI-UHFFFAOYSA-N -1 0 207.160 1.365 50 0 BDAARM Cn1c(SCC(=O)[O-])nnc1-c1ccccc1 ZINC000004294295 342746304 /nfs/dbraw/zinc/74/63/04/342746304.db2.gz XFLPLILYLZYALY-UHFFFAOYSA-N -1 0 249.295 1.659 50 0 BDAARM O=C([O-])[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000002520443 342722286 /nfs/dbraw/zinc/72/22/86/342722286.db2.gz KDULWPXRFVQNQN-VIFPVBQESA-N -1 0 239.658 1.778 50 0 BDAARM CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000002526144 342722515 /nfs/dbraw/zinc/72/25/15/342722515.db2.gz CSSQXZIEIAKRFC-MRVPVSSYSA-N -1 0 224.212 1.657 50 0 BDAARM O=C([O-])c1cccc(-c2cncnc2)c1 ZINC000002563824 342724256 /nfs/dbraw/zinc/72/42/56/342724256.db2.gz URQRFVRGUHUTMI-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM Cn1c(C(=O)[O-])cc2ccccc2c1=O ZINC000003330706 342732733 /nfs/dbraw/zinc/73/27/33/342732733.db2.gz KUTOFSHPQXLKGS-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 BDAARM O=C([O-])[C@H]1CC(=O)O[C@H]1c1ccccc1 ZINC000003635422 342735488 /nfs/dbraw/zinc/73/54/88/342735488.db2.gz LRMTVZBRYDTDCU-WPRPVWTQSA-N -1 0 206.197 1.375 50 0 BDAARM O=C([O-])c1ccn(Cn2cnc3ccccc32)n1 ZINC000003656808 342736108 /nfs/dbraw/zinc/73/61/08/342736108.db2.gz SGNVCALOHVBXNR-UHFFFAOYSA-N -1 0 242.238 1.437 50 0 BDAARM O=c1cc(Cl)c(=O)[n-]n1-c1ccccc1 ZINC000003945001 342739680 /nfs/dbraw/zinc/73/96/80/342739680.db2.gz ODPNBRBOAQEHKP-UHFFFAOYSA-N -1 0 222.631 1.592 50 0 BDAARM Cc1cnn(Cc2ccc(C(=O)[O-])o2)c1 ZINC000004861439 342753464 /nfs/dbraw/zinc/75/34/64/342753464.db2.gz IPQDIQFVWZLMHT-UHFFFAOYSA-N -1 0 206.201 1.531 50 0 BDAARM Cc1cc(CN2CCOCC2)oc1C(=O)[O-] ZINC000004974133 342755343 /nfs/dbraw/zinc/75/53/43/342755343.db2.gz FBVMRIWZPZGUTN-UHFFFAOYSA-N -1 0 225.244 1.118 50 0 BDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=O ZINC000005497756 342764907 /nfs/dbraw/zinc/76/49/07/342764907.db2.gz RWBBDSAYSNJJHM-UHFFFAOYSA-N -1 0 202.213 1.287 50 0 BDAARM O=S(=O)([O-])c1c(O)cnc2ccccc21 ZINC000006243727 342775558 /nfs/dbraw/zinc/77/55/58/342775558.db2.gz LFNNDSBKLHATBZ-UHFFFAOYSA-N -1 0 225.225 1.187 50 0 BDAARM C[C@H](C(=O)[O-])N1C(=O)Cc2ccccc21 ZINC000008306769 342797653 /nfs/dbraw/zinc/79/76/53/342797653.db2.gz HJECHQFTTGWUQW-SSDOTTSWSA-N -1 0 205.213 1.049 50 0 BDAARM Cc1cc(C)cc(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000008744334 342804391 /nfs/dbraw/zinc/80/43/91/342804391.db2.gz WIMKJNFMQDTASP-UHFFFAOYSA-N -1 0 230.271 1.834 50 0 BDAARM O=C([O-])c1cccn(Cc2ccc(F)cc2)c1=O ZINC000008769008 342804598 /nfs/dbraw/zinc/80/45/98/342804598.db2.gz KFUPGHOUJJNVJQ-UHFFFAOYSA-N -1 0 247.225 1.734 50 0 BDAARM CCSc1nc(CC(=O)[O-])cs1 ZINC000011757508 342843301 /nfs/dbraw/zinc/84/33/01/342843301.db2.gz JDJBYSXEXOGUMQ-UHFFFAOYSA-N -1 0 203.288 1.882 50 0 BDAARM O=C([O-])[C@H]1CC(=O)c2cc(Cl)ccc2O1 ZINC000011849047 342843707 /nfs/dbraw/zinc/84/37/07/342843707.db2.gz RJNYIXPGUIVGJT-SECBINFHSA-N -1 0 226.615 1.758 50 0 BDAARM O=C([O-])c1csc(NC(=O)C2CC2)n1 ZINC000011919911 342844562 /nfs/dbraw/zinc/84/45/62/342844562.db2.gz WDXMURWIWZTWGO-UHFFFAOYSA-N -1 0 212.230 1.190 50 0 BDAARM Cc1c(CC(=O)[O-])nnn1-c1ccccc1F ZINC000011888219 342843931 /nfs/dbraw/zinc/84/39/31/342843931.db2.gz MJZNIEZNDUCUFE-UHFFFAOYSA-N -1 0 235.218 1.342 50 0 BDAARM [NH3+][C@@]1(C(=O)[O-])CCCCc2ccccc21 ZINC000012955548 342861838 /nfs/dbraw/zinc/86/18/38/342861838.db2.gz OHTWNHRAUQJEQT-LBPRGKRZSA-N -1 0 205.257 1.652 50 0 biogenic BDAARM CSc1nc2ccccc2n1CC(=O)[O-] ZINC000012954178 342861876 /nfs/dbraw/zinc/86/18/76/342861876.db2.gz IAPZRVTXNHWWTA-UHFFFAOYSA-N -1 0 222.269 1.843 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000013170343 342864857 /nfs/dbraw/zinc/86/48/57/342864857.db2.gz XFWRSHGZIGKYAP-SECBINFHSA-N -1 0 211.261 1.110 50 0 BDAARM Cc1nc(-c2ccccc2)[nH]c(=O)c1C(=O)[O-] ZINC000019473227 398313543 /nfs/dbraw/zinc/31/35/43/398313543.db2.gz MGSDIYMKRAYWNB-UHFFFAOYSA-N -1 0 230.223 1.444 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(CC2CCCCC2)C1 ZINC000015015334 342890731 /nfs/dbraw/zinc/89/07/31/342890731.db2.gz IMKQUGUDMBOQPK-JTQLQIEISA-N -1 0 225.288 1.500 50 0 BDAARM O=C([O-])[C@H]1CC[C@](O)(c2ccccc2)C1 ZINC000217900945 398324336 /nfs/dbraw/zinc/32/43/36/398324336.db2.gz XYSFWCWXJQTOPP-JOYOIKCWSA-N -1 0 206.241 1.759 50 0 BDAARM O=C([O-])[C@@H](c1ccccc1F)N1CCOCC1 ZINC000016771226 342915465 /nfs/dbraw/zinc/91/54/65/342915465.db2.gz USMNBHYRDJXRLK-LLVKDONJSA-N -1 0 239.246 1.284 50 0 biogenic BDAARM S=c1[n-]c2cc(-c3nn[nH]n3)ccc2o1 ZINC000039389360 398329597 /nfs/dbraw/zinc/32/95/97/398329597.db2.gz QKFBUCWOXFBFIB-UHFFFAOYSA-N -1 0 219.229 1.297 50 0 BDAARM C[C@@H](NC(=O)N[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000005156219 398338396 /nfs/dbraw/zinc/33/83/96/398338396.db2.gz WPDVZLRFHGYRGS-BDAKNGLRSA-N -1 0 236.271 1.520 50 0 BDAARM O=C([O-])c1cnn(-c2ccc(F)cc2F)c1 ZINC000019479899 342949411 /nfs/dbraw/zinc/94/94/11/342949411.db2.gz WJPQZDCOLISRIF-UHFFFAOYSA-N -1 0 224.166 1.849 50 0 BDAARM CC(C)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000019685914 342953689 /nfs/dbraw/zinc/95/36/89/342953689.db2.gz YYUURAINPBATFU-UHFFFAOYSA-N -1 0 213.277 1.356 50 0 BDAARM O=C([O-])[C@@H]1CSC(c2ccccc2)=N1 ZINC000019735671 342955290 /nfs/dbraw/zinc/95/52/90/342955290.db2.gz HOZQYTNELGLJMC-QMMMGPOBSA-N -1 0 207.254 1.633 50 0 BDAARM CCOc1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000019844322 342959530 /nfs/dbraw/zinc/95/95/30/342959530.db2.gz YKPDDKHLNAMBOS-UHFFFAOYSA-N -1 0 232.239 1.969 50 0 BDAARM CCN(c1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000020130259 342971010 /nfs/dbraw/zinc/97/10/10/342971010.db2.gz NRXSHAKGAWIHFH-UHFFFAOYSA-N -1 0 243.284 1.171 50 0 BDAARM Nc1nc(C(=O)[O-])c(-c2ccco2)s1 ZINC000020357799 342983524 /nfs/dbraw/zinc/98/35/24/342983524.db2.gz BSWWQPIVZSLPSL-UHFFFAOYSA-N -1 0 210.214 1.684 50 0 BDAARM O=C([O-])c1cn(-c2cccc(Cl)c2F)nn1 ZINC000020472642 342986391 /nfs/dbraw/zinc/98/63/91/342986391.db2.gz MWMTVCVBEKDLTP-UHFFFAOYSA-N -1 0 241.609 1.758 50 0 BDAARM Cc1noc2nc(C(=O)[O-])nc(N3CCCC3)c12 ZINC000021779151 343020709 /nfs/dbraw/zinc/02/07/09/343020709.db2.gz VURIKIJHEILNQQ-UHFFFAOYSA-N -1 0 248.242 1.225 50 0 BDAARM Cc1csc2[n-]c(=S)n(C)c(=O)c12 ZINC000021950313 343028801 /nfs/dbraw/zinc/02/88/01/343028801.db2.gz ZYSMOJFPRPGPRU-UHFFFAOYSA-N -1 0 212.299 1.966 50 0 BDAARM C[C@@H](CS(=O)[O-])C(=O)NC1CCCCC1 ZINC000012383573 343051855 /nfs/dbraw/zinc/05/18/55/343051855.db2.gz BQGWPECXABUNQH-QMMMGPOBSA-N -1 0 233.333 1.293 50 0 BDAARM O=C([O-])c1ccnc(-c2ccccc2)n1 ZINC000025493196 343090902 /nfs/dbraw/zinc/09/09/02/343090902.db2.gz RBPXFHFYDRRIJQ-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM CONC(=O)CCc1c[nH]c2ccccc12 ZINC000024830777 343077902 /nfs/dbraw/zinc/07/79/02/343077902.db2.gz GTEVSMAODIMECZ-UHFFFAOYSA-N -1 0 218.256 1.778 50 0 BDAARM O=C([O-])c1csc(N2CCSCC2)n1 ZINC000026476332 343105615 /nfs/dbraw/zinc/10/56/15/343105615.db2.gz OACNPNBVURAKQU-UHFFFAOYSA-N -1 0 230.314 1.395 50 0 BDAARM CC[C@@H](Oc1ccccc1C(N)=O)C(=O)[O-] ZINC000027745863 343123970 /nfs/dbraw/zinc/12/39/70/343123970.db2.gz DQCNYWMEUJIMEG-MRVPVSSYSA-N -1 0 223.228 1.028 50 0 BDAARM COC(=O)N[C@H](CCc1ccccc1)C(=O)[O-] ZINC000030834339 343208552 /nfs/dbraw/zinc/20/85/52/343208552.db2.gz BAFWWCWWCIJIKN-SNVBAGLBSA-N -1 0 237.255 1.428 50 0 biogenic,in-vitro BDAARM Cn1cc(/C=C2/NC(=O)[N-]C2=O)c2ccccc21 ZINC000000318340 343269919 /nfs/dbraw/zinc/26/99/19/343269919.db2.gz AZSFDDLPQZFPGT-UXBLZVDNSA-N -1 0 241.250 1.359 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000034957542 343281800 /nfs/dbraw/zinc/28/18/00/343281800.db2.gz KOQJSUJYOHBXCB-LURJTMIESA-N -1 0 241.193 1.402 50 0 BDAARM Nc1cnn(Cc2cccc(C(=O)[O-])c2)c1 ZINC000036644437 343321704 /nfs/dbraw/zinc/32/17/04/343321704.db2.gz QLCKRCFLPOGTLB-UHFFFAOYSA-N -1 0 217.228 1.212 50 0 BDAARM Nc1cnn(Cc2ccc(C(=O)[O-])cc2)c1 ZINC000036644441 343321847 /nfs/dbraw/zinc/32/18/47/343321847.db2.gz ZAUTVDQSFXWHRF-UHFFFAOYSA-N -1 0 217.228 1.212 50 0 BDAARM O=C([O-])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359319 343295298 /nfs/dbraw/zinc/29/52/98/343295298.db2.gz GALGGHJFGWMWCN-UHFFFAOYSA-N -1 0 211.604 1.533 50 0 BDAARM O=C([O-])c1cccc(-c2ccccn2)n1 ZINC000035653976 343301316 /nfs/dbraw/zinc/30/13/16/343301316.db2.gz ZQTILGDVDYWICD-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM CCOc1ccc(CC(=O)[O-])c(F)c1F ZINC000038529908 343376011 /nfs/dbraw/zinc/37/60/11/343376011.db2.gz YLQFXSRZIUVTEM-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM O=C([O-])c1ccc(OCC(F)(F)F)nn1 ZINC000037461747 343345787 /nfs/dbraw/zinc/34/57/87/343345787.db2.gz KSZRBRNXHFNPAW-UHFFFAOYSA-N -1 0 222.122 1.116 50 0 BDAARM CCc1nc(COc2ccc(C(=O)[O-])cc2)no1 ZINC000042321861 343434480 /nfs/dbraw/zinc/43/44/80/343434480.db2.gz XLGUJBZTDMBEOA-UHFFFAOYSA-N -1 0 248.238 1.909 50 0 BDAARM O=C([O-])c1cnc(N2CCCCCC2)nc1 ZINC000042784377 343454019 /nfs/dbraw/zinc/45/40/19/343454019.db2.gz SXSFJJWZLPGDBT-UHFFFAOYSA-N -1 0 221.260 1.555 50 0 BDAARM Nc1nc(CN2CCC(C(=O)[O-])CC2)cs1 ZINC000043830363 343485441 /nfs/dbraw/zinc/48/54/41/343485441.db2.gz XKKLTYAQHRCKOZ-UHFFFAOYSA-N -1 0 241.316 1.022 50 0 BDAARM O=C([O-])c1csc(NC[C@H]2CCCO2)n1 ZINC000045951698 343536482 /nfs/dbraw/zinc/53/64/82/343536482.db2.gz CBLFWBWIRRPFGZ-ZCFIWIBFSA-N -1 0 228.273 1.432 50 0 BDAARM C[C@@H](CNC(=O)c1ccccc1)C(=O)[O-] ZINC000033506700 344808653 /nfs/dbraw/zinc/80/86/53/344808653.db2.gz CCEBPEVKSYSXIR-QMMMGPOBSA-N -1 0 207.229 1.137 50 0 BDAARM CCCc1nc(NCC)nc2n[n-]c(=S)n21 ZINC000004966289 344868350 /nfs/dbraw/zinc/86/83/50/344868350.db2.gz OQVRACSMCBMHBA-UHFFFAOYSA-N -1 0 238.320 1.192 50 0 BDAARM Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)[O-])O2 ZINC000005137526 344962783 /nfs/dbraw/zinc/96/27/83/344962783.db2.gz RXCSQRXSUWWVCV-SECBINFHSA-N -1 0 221.212 1.169 50 0 BDAARM O=C([O-])Cc1c(F)nccc1C(F)(F)F ZINC000238671384 345108504 /nfs/dbraw/zinc/10/85/04/345108504.db2.gz HOQPPXZGPBDBHG-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM CC(=O)C(C(C)=O)=C([O-])C1CCCCC1 ZINC000721132081 537899575 /nfs/dbraw/zinc/89/95/75/537899575.db2.gz LGNKXIRNHJBXPQ-UHFFFAOYSA-N -1 0 210.273 1.930 50 0 BDAARM Cc1ccc([C@H](CC(=O)[O-])NC(N)=O)cc1 ZINC000009458223 178902325 /nfs/dbraw/zinc/90/23/25/178902325.db2.gz VFFVTGQZUDNHNS-VIFPVBQESA-N -1 0 222.244 1.179 50 0 BDAARM Cc1ccc2cc(C(=O)N[C@@H](C)C(=O)[O-])[nH]c2c1 ZINC000082244292 178968633 /nfs/dbraw/zinc/96/86/33/178968633.db2.gz LFJPQZLQMNISJO-QMMMGPOBSA-N -1 0 246.266 1.679 50 0 BDAARM Cc1nn(C)c(C)c1-c1noc(C)c1C(=O)[O-] ZINC000307968970 537942302 /nfs/dbraw/zinc/94/23/02/537942302.db2.gz YNHGHNGPOPSMHE-UHFFFAOYSA-N -1 0 235.243 1.699 50 0 BDAARM Cc1ccc2nsnc2c1S(=O)(=O)[O-] ZINC000003131078 178985953 /nfs/dbraw/zinc/98/59/53/178985953.db2.gz WKTBILAIXYCRJM-UHFFFAOYSA-N -1 0 230.270 1.246 50 0 BDAARM CC(=O)c1coc2cc([O-])ccc2c1=O ZINC000005481326 346239501 /nfs/dbraw/zinc/23/95/01/346239501.db2.gz VQEUUJIWNMPTBJ-UHFFFAOYSA-N -1 0 204.181 1.701 50 0 BDAARM NS(=O)(=O)c1ccc(O)c2ccccc21 ZINC000000193451 346401800 /nfs/dbraw/zinc/40/18/00/346401800.db2.gz WOIJKOZDDUWHBG-UHFFFAOYSA-N -1 0 223.253 1.193 50 0 BDAARM CCCC[C@@H](CC)CNC(=O)/C=C/C(=O)[O-] ZINC000001590002 346450968 /nfs/dbraw/zinc/45/09/68/346450968.db2.gz GKRPTTYZZLGANE-QROSGCPLSA-N -1 0 227.304 1.960 50 0 BDAARM CO[N-]C(=O)c1cc2ccccc2oc1=O ZINC000016552284 346502939 /nfs/dbraw/zinc/50/29/39/346502939.db2.gz YEXFCQYMAYIJDG-UHFFFAOYSA-N -1 0 219.196 1.084 50 0 BDAARM Cc1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071280736 179141469 /nfs/dbraw/zinc/14/14/69/179141469.db2.gz SYPYJNAYWUJYMG-NXEZZACHSA-N -1 0 248.282 1.685 50 0 BDAARM CCN(C(C)=O)c1ccccc1C(=O)[O-] ZINC000016623543 347196064 /nfs/dbraw/zinc/19/60/64/347196064.db2.gz MCMSFXZURNVWFR-UHFFFAOYSA-N -1 0 207.229 1.758 50 0 BDAARM Cc1cccc([C@H]2N[C@@H](C(=O)[O-])CS2)n1 ZINC000096170784 179204703 /nfs/dbraw/zinc/20/47/03/179204703.db2.gz NWULAZSWWCOTGJ-BDAKNGLRSA-N -1 0 224.285 1.178 50 0 BDAARM Cc1cccc2c1NC(=O)[C@@H]2CC(=O)[O-] ZINC000019093627 179220371 /nfs/dbraw/zinc/22/03/71/179220371.db2.gz WUUIYXLJVZVXHC-MRVPVSSYSA-N -1 0 205.213 1.505 50 0 BDAARM Cc1ccccc1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000009235640 179275862 /nfs/dbraw/zinc/27/58/62/179275862.db2.gz PURRCQVBQRILJX-NSHDSACASA-N -1 0 233.267 1.428 50 0 BDAARM O=C([O-])c1ccccc1NC=C[N+](=O)[O-] ZINC000004498763 347868641 /nfs/dbraw/zinc/86/86/41/347868641.db2.gz YWPFGPVRLBUCRW-WAYWQWQTSA-N -1 0 208.173 1.545 50 0 BDAARM Cc1ccoc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000097018348 179506677 /nfs/dbraw/zinc/50/66/77/179506677.db2.gz OBPJLPSHWCIZKG-VIFPVBQESA-N -1 0 237.255 1.571 50 0 BDAARM CC(=O)N[C@@H](Cc1c(F)cccc1F)C(=O)[O-] ZINC000032098689 190984114 /nfs/dbraw/zinc/98/41/14/190984114.db2.gz SOVRNHLRLBIHRI-JTQLQIEISA-N -1 0 243.209 1.097 50 0 BDAARM Cc1nc(C(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000034929143 179892207 /nfs/dbraw/zinc/89/22/07/179892207.db2.gz IXVDFYBOWMWBNA-UHFFFAOYSA-N -1 0 237.646 1.927 50 0 BDAARM Cc1nc(C)c(-c2cc(C(=O)[O-])n[nH]2)s1 ZINC000021729991 179898635 /nfs/dbraw/zinc/89/86/35/179898635.db2.gz WSSQCKWHLRBBTD-UHFFFAOYSA-N -1 0 223.257 1.848 50 0 BDAARM O=C1[N-]C(=O)/C(=C\c2ccccc2Cl)N1 ZINC000012341587 350090116 /nfs/dbraw/zinc/09/01/16/350090116.db2.gz CVCARONLQOISKW-VMPITWQZSA-N -1 0 222.631 1.520 50 0 BDAARM Cc1nc(NCc2ccncc2)ncc1C(=O)[O-] ZINC000084554778 180020650 /nfs/dbraw/zinc/02/06/50/180020650.db2.gz GPOXJJMRHYCRBT-UHFFFAOYSA-N -1 0 244.254 1.490 50 0 BDAARM Cc1nc2cc(C3(C(=O)[O-])CC3)ccc2[nH]1 ZINC000082595863 180090576 /nfs/dbraw/zinc/09/05/76/180090576.db2.gz KNYGHQQOCHYYSP-UHFFFAOYSA-N -1 0 216.240 1.988 50 0 BDAARM Cc1nc2ccn(C(C)C)c(=O)c2cc1C(=O)[O-] ZINC000044921575 180107435 /nfs/dbraw/zinc/10/74/35/180107435.db2.gz HJUVHUFFUCPNLC-UHFFFAOYSA-N -1 0 246.266 1.984 50 0 BDAARM Cc1nc(-c2cccc(C(=O)[O-])n2)c[nH]1 ZINC000074208963 180121553 /nfs/dbraw/zinc/12/15/53/180121553.db2.gz WKTPXKTVQWJYKM-UHFFFAOYSA-N -1 0 203.201 1.478 50 0 BDAARM O=C([O-])[C@@H]1NC(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000040449249 350365218 /nfs/dbraw/zinc/36/52/18/350365218.db2.gz SZOMBCQXORQIFV-WCBMZHEXSA-N -1 0 239.658 1.397 50 0 BDAARM Cc1nn(C(C)(C)C(=O)[O-])cc1Br ZINC000002535186 180332100 /nfs/dbraw/zinc/33/21/00/180332100.db2.gz VGYAOUFBTSUVQK-UHFFFAOYSA-N -1 0 247.092 1.774 50 0 BDAARM C[C@H](C(=O)NC1(C(=O)[O-])CC1)c1ccc(O)cc1 ZINC000426589177 191099992 /nfs/dbraw/zinc/09/99/92/191099992.db2.gz XKDUULVWHQEDHO-QMMMGPOBSA-N -1 0 249.266 1.229 50 0 BDAARM Cc1nn(C[C@H](C)C(=O)[O-])c(C)c1Cl ZINC000002537609 180390704 /nfs/dbraw/zinc/39/07/04/180390704.db2.gz BAKDQYHGSMTKMU-YFKPBYRVSA-N -1 0 216.668 1.874 50 0 BDAARM CC(C)CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005907865 351300799 /nfs/dbraw/zinc/30/07/99/351300799.db2.gz TWKDXCVAKKUTGH-ZJUUUORDSA-N -1 0 225.288 1.426 50 0 BDAARM Cn1cc(CC(=O)[O-])c2ccc(F)cc21 ZINC000071491788 180637801 /nfs/dbraw/zinc/63/78/01/180637801.db2.gz LYBRHMOXPSVEOT-UHFFFAOYSA-N -1 0 207.204 1.945 50 0 BDAARM COc1cc(C(=O)[O-])ccc1-c1cn[nH]c1 ZINC000218572013 352659019 /nfs/dbraw/zinc/65/90/19/352659019.db2.gz BTGGAEHYDAHFAG-UHFFFAOYSA-N -1 0 218.212 1.784 50 0 BDAARM CC(=O)OC1(C(=O)[O-])C2CC3CC(C2)CC1C3 ZINC000000271886 188099909 /nfs/dbraw/zinc/09/99/09/188099909.db2.gz PRAHXSFZQWEBMW-UHFFFAOYSA-N -1 0 238.283 1.829 50 0 BDAARM O=S(=O)([O-])c1ccc(O)c2ncccc12 ZINC000006079985 188102845 /nfs/dbraw/zinc/10/28/45/188102845.db2.gz LGDFHDKSYGVKDC-UHFFFAOYSA-N -1 0 225.225 1.187 50 0 in-vitro,metabolite BDAARM CC(C)Cc1c(O)nc2n(c1=O)CCCS2 ZINC000009190176 188104056 /nfs/dbraw/zinc/10/40/56/188104056.db2.gz WJOIINULLKHMHX-UHFFFAOYSA-N -1 0 240.328 1.643 50 0 BDAARM CC(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000008188712 188104117 /nfs/dbraw/zinc/10/41/17/188104117.db2.gz SXNAZBQZTFJUQG-UHFFFAOYSA-N -1 0 237.255 1.745 50 0 BDAARM O=C([O-])c1c(O)cccc1Br ZINC000038858001 188117579 /nfs/dbraw/zinc/11/75/79/188117579.db2.gz LSIRNJUVADUUAN-UHFFFAOYSA-N -1 0 217.018 1.853 50 0 BDAARM CC(=O)N[C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000057218521 188127319 /nfs/dbraw/zinc/12/73/19/188127319.db2.gz FFZZRLPMKXOLLS-ZDUSSCGKSA-N -1 0 233.267 1.439 50 0 biogenic BDAARM CC(=O)N/C(=C/c1ccc(C)s1)C(=O)[O-] ZINC000066114594 188129822 /nfs/dbraw/zinc/12/98/22/188129822.db2.gz XIUFQHMYNBNVGS-WEVVVXLNSA-N -1 0 225.269 1.618 50 0 BDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccn1 ZINC000071287674 188130788 /nfs/dbraw/zinc/13/07/88/188130788.db2.gz NRVDFMSOFBOUBQ-RKDXNWHRSA-N -1 0 234.255 1.377 50 0 BDAARM CC(C)(O)[C@H](Oc1ccccc1)C(=O)[O-] ZINC000075619119 188132675 /nfs/dbraw/zinc/13/26/75/188132675.db2.gz PELCOGJEMHVRGX-SECBINFHSA-N -1 0 210.229 1.290 50 0 BDAARM COc1ccc([C@H](NC(C)=O)C(=O)[O-])cc1F ZINC000077387139 188137036 /nfs/dbraw/zinc/13/70/36/188137036.db2.gz XAEZIULLIIKHKJ-JTQLQIEISA-N -1 0 241.218 1.096 50 0 BDAARM C[C@H]1Nc2c(cccc2C(=O)[O-])NC1=O ZINC000164067370 188160546 /nfs/dbraw/zinc/16/05/46/188160546.db2.gz GRLBGBWIVIUUOM-RXMQYKEDSA-N -1 0 206.201 1.137 50 0 BDAARM O=C([O-])c1c(F)nccc1OC(F)F ZINC000263625414 188192952 /nfs/dbraw/zinc/19/29/52/188192952.db2.gz ZSQTYUMRLXVPOH-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM O=C([O-])CNC(=O)C1(Cc2ccccc2)CC1 ZINC000195542588 188176589 /nfs/dbraw/zinc/17/65/89/188176589.db2.gz XUUINEOLYPLPOT-UHFFFAOYSA-N -1 0 233.267 1.210 50 0 BDAARM CC(C)Cn1nccc1[C@H]1C[C@H]1C(=O)[O-] ZINC000242592340 188192100 /nfs/dbraw/zinc/19/21/00/188192100.db2.gz OQGPGARFOAFOPW-DTWKUNHWSA-N -1 0 208.261 1.727 50 0 BDAARM CC(C)(C)OC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000238116590 188192406 /nfs/dbraw/zinc/19/24/06/188192406.db2.gz GWMJQGGVPOMUAO-UHFFFAOYSA-N -1 0 212.245 1.583 50 0 BDAARM CC(C)[C@H](NC(=O)c1ccccc1O)C(=O)[O-] ZINC000004892429 188226405 /nfs/dbraw/zinc/22/64/05/188226405.db2.gz ZGTWJHITZWZFKG-JTQLQIEISA-N -1 0 237.255 1.231 50 0 BDAARM CC(C)(C(=O)[O-])S(=O)(=O)C1CCCCC1 ZINC000084192852 355313362 /nfs/dbraw/zinc/31/33/62/355313362.db2.gz QDJZGBRKPWFWJO-UHFFFAOYSA-N -1 0 234.317 1.597 50 0 BDAARM CC[C@H](Oc1ccccc1C=O)C(=O)[O-] ZINC000019887786 355775966 /nfs/dbraw/zinc/77/59/66/355775966.db2.gz IIEIUVPKWGBYJI-VIFPVBQESA-N -1 0 208.213 1.741 50 0 BDAARM CC1(C(=O)[O-])CN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000399303477 355927034 /nfs/dbraw/zinc/92/70/34/355927034.db2.gz YDZJFNVUMLDAMF-SECBINFHSA-N -1 0 223.272 1.276 50 0 BDAARM Cn1ccnc1-c1noc(C2CC2)c1C(=O)[O-] ZINC000675058064 538480960 /nfs/dbraw/zinc/48/09/60/538480960.db2.gz VVNLXTIUZMDVEH-UHFFFAOYSA-N -1 0 233.227 1.651 50 0 BDAARM NC(=O)c1ccc(-c2cnc(C(=O)[O-])nc2)s1 ZINC000675069472 538498495 /nfs/dbraw/zinc/49/84/95/538498495.db2.gz HONPNKRNXGHYMU-UHFFFAOYSA-N -1 0 249.251 1.002 50 0 BDAARM O=C([O-])c1cnc(-c2cscn2)nc1 ZINC000087596191 538568410 /nfs/dbraw/zinc/56/84/10/538568410.db2.gz OWUMKXVCKAVICB-UHFFFAOYSA-N -1 0 207.214 1.298 50 0 BDAARM COc1cccc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000221829924 538570314 /nfs/dbraw/zinc/57/03/14/538570314.db2.gz RKZWFUISLAHCJK-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM CC[C@H](C(=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000096878205 538616678 /nfs/dbraw/zinc/61/66/78/538616678.db2.gz LEEYCUURZBGUFT-VIFPVBQESA-N -1 0 243.303 1.964 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013448995 538805285 /nfs/dbraw/zinc/80/52/85/538805285.db2.gz VHWQJLNKTOVFNF-LDYMZIIASA-N -1 0 245.278 1.930 50 0 BDAARM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000013448534 538805371 /nfs/dbraw/zinc/80/53/71/538805371.db2.gz ODWSLRZXABZWQM-UHFFFAOYSA-N -1 0 231.251 1.684 50 0 BDAARM O=C([O-])c1cnnn1-c1ccc(Cl)cc1 ZINC000020272217 357339462 /nfs/dbraw/zinc/33/94/62/357339462.db2.gz MIVQUELLXQDZIU-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM Cn1c(=O)cc(C(=O)[O-])c2ccccc21 ZINC000012428097 359706046 /nfs/dbraw/zinc/70/60/46/359706046.db2.gz FPUDHXQUWBZZMY-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 biogenic BDAARM NC(=O)c1ccc(Oc2ccc(C(=O)[O-])o2)cc1 ZINC000050907552 181301295 /nfs/dbraw/zinc/30/12/95/181301295.db2.gz MAISOYDMNROSFI-UHFFFAOYSA-N -1 0 247.206 1.869 50 0 BDAARM CC1(C)Cc2cccc(OCC(=O)[O-])c2O1 ZINC000003626581 219808710 /nfs/dbraw/zinc/80/87/10/219808710.db2.gz BDCGKUGCTFTPLS-UHFFFAOYSA-N -1 0 222.240 1.864 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)CCC2 ZINC000036966875 361585496 /nfs/dbraw/zinc/58/54/96/361585496.db2.gz TVVWVNYAAMUXPT-VIFPVBQESA-N -1 0 247.294 1.768 50 0 BDAARM Cn1nc(NC(=O)/C=C\C(=O)[O-])c2ccccc21 ZINC000096024092 368382651 /nfs/dbraw/zinc/38/26/51/368382651.db2.gz GAPLBQQJSXXHFY-SREVYHEPSA-N -1 0 245.238 1.153 50 0 BDAARM COc1ncc(C(F)(F)F)cc1CC(=O)[O-] ZINC000309555187 370228799 /nfs/dbraw/zinc/22/87/99/370228799.db2.gz NJFPVRXEOJFPKK-UHFFFAOYSA-N -1 0 235.161 1.736 50 0 BDAARM C/C(=C/C(=O)N1CC[C@](C)(C(=O)[O-])C1)C1CC1 ZINC000225394251 370515940 /nfs/dbraw/zinc/51/59/40/370515940.db2.gz FOFYWALBXPQVDQ-JWJUJFCLSA-N -1 0 237.299 1.666 50 0 BDAARM Nc1ccc(OC(F)F)c(C(=O)[O-])c1 ZINC000037289720 181720028 /nfs/dbraw/zinc/72/00/28/181720028.db2.gz JPBZGWQIUHEIPX-UHFFFAOYSA-N -1 0 203.144 1.568 50 0 BDAARM Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000012505543 181774875 /nfs/dbraw/zinc/77/48/75/181774875.db2.gz BBQCPOHKJHYDFG-UHFFFAOYSA-N -1 0 209.230 1.419 50 0 BDAARM O=C([O-])C1(NC(=O)Cc2ccccc2F)CC1 ZINC000095961392 182045150 /nfs/dbraw/zinc/04/51/50/182045150.db2.gz RIGMIFFMWQSUPL-UHFFFAOYSA-N -1 0 237.230 1.102 50 0 BDAARM O=C([O-])C1(NC(=O)[C@@H]2CCCCO2)CCCC1 ZINC000050959247 182089876 /nfs/dbraw/zinc/08/98/76/182089876.db2.gz FXQIKRCHIZZWHT-VIFPVBQESA-N -1 0 241.287 1.069 50 0 BDAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCOC2)c1 ZINC000040929842 373928391 /nfs/dbraw/zinc/92/83/91/373928391.db2.gz JEXCFILPSSMVRD-LLVKDONJSA-N -1 0 249.266 1.038 50 0 BDAARM CO[N-]C(=O)CSc1nc2ccccc2o1 ZINC000010485870 374313067 /nfs/dbraw/zinc/31/30/67/374313067.db2.gz ZVUBOFFHACXQJT-UHFFFAOYSA-N -1 0 238.268 1.598 50 0 BDAARM O=C([N-]S(=O)(=O)C1CCCC1)c1ccoc1 ZINC000086054770 182284147 /nfs/dbraw/zinc/28/41/47/182284147.db2.gz QXDQTUIZZXVYMJ-UHFFFAOYSA-N -1 0 243.284 1.282 50 0 BDAARM O=C([N-]OCc1ccccc1)c1ccc[nH]c1=O ZINC000010319487 182284377 /nfs/dbraw/zinc/28/43/77/182284377.db2.gz NHGSHJNWEQTKMA-UHFFFAOYSA-N -1 0 244.250 1.649 50 0 BDAARM O=C(N[C@H]1CCc2c1cccc2F)c1cn[nH]n1 ZINC000049319211 182340779 /nfs/dbraw/zinc/34/07/79/182340779.db2.gz LKPBBCOCYIUOQF-JTQLQIEISA-N -1 0 246.245 1.361 50 0 BDAARM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)C1CC1 ZINC000057753478 182367313 /nfs/dbraw/zinc/36/73/13/182367313.db2.gz BZQHTXCAHNGBCT-UHFFFAOYSA-N -1 0 245.238 1.791 50 0 BDAARM O=C(Nc1cccc(O)c1F)c1ncccc1[O-] ZINC000133657953 182371846 /nfs/dbraw/zinc/37/18/46/182371846.db2.gz KIXGIZUNLNHMAQ-UHFFFAOYSA-N -1 0 248.213 1.884 50 0 BDAARM O=C([O-])C1CN(C(=O)C2CCCCC2)C1 ZINC000070569221 182429220 /nfs/dbraw/zinc/42/92/20/182429220.db2.gz MQHHRLAORURHHJ-UHFFFAOYSA-N -1 0 211.261 1.110 50 0 BDAARM O=C([O-])C1CN(c2ccc(Cl)cc2)C1 ZINC000091301516 182429721 /nfs/dbraw/zinc/42/97/21/182429721.db2.gz JZXZRZQJWQECTJ-UHFFFAOYSA-N -1 0 211.648 1.861 50 0 BDAARM O=C([O-])CCN1C(=O)C[C@H](c2ccccc2)C1=O ZINC000103524007 182445247 /nfs/dbraw/zinc/44/52/47/182445247.db2.gz HSDKFPVPRYGSEG-SNVBAGLBSA-N -1 0 247.250 1.004 50 0 BDAARM O=C([O-])CCc1cnn(-c2ccc(F)cn2)c1 ZINC000067907930 182455476 /nfs/dbraw/zinc/45/54/76/182455476.db2.gz MNDHUWWUMAGJEY-UHFFFAOYSA-N -1 0 235.218 1.424 50 0 BDAARM O=C([O-])CS(=O)(=O)/C=C/c1ccccc1 ZINC000000101427 182471203 /nfs/dbraw/zinc/47/12/03/182471203.db2.gz WCOXFTGMNJJABC-VOTSOKGWSA-N -1 0 226.253 1.157 50 0 BDAARM O=C([O-])COCc1nc2cc(F)ccc2[nH]1 ZINC000019091155 182469934 /nfs/dbraw/zinc/46/99/34/182469934.db2.gz GOLCDBPMTPLXOR-UHFFFAOYSA-N -1 0 224.191 1.303 50 0 BDAARM O=C([O-])CCc1nnc2cccc(Cl)n21 ZINC000061714981 182456639 /nfs/dbraw/zinc/45/66/39/182456639.db2.gz NPSUMCMFTVOQPF-UHFFFAOYSA-N -1 0 225.635 1.400 50 0 BDAARM O=C([O-])CCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000006677815 182456791 /nfs/dbraw/zinc/45/67/91/182456791.db2.gz LYQCPBLHVWPSSX-UHFFFAOYSA-N -1 0 248.238 1.351 50 0 BDAARM O=C([O-])C[C@@H]1C(=O)Nc2ccc(F)cc21 ZINC000100056944 182478166 /nfs/dbraw/zinc/47/81/66/182478166.db2.gz GOJAJUSLXBXIJY-ZETCQYMHSA-N -1 0 209.176 1.336 50 0 in-vitro BDAARM O=C([O-])Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000000286832 182498912 /nfs/dbraw/zinc/49/89/12/182498912.db2.gz JJVIKYVCIPXTOK-UHFFFAOYSA-N -1 0 234.177 1.475 50 0 BDAARM O=C([O-])Cc1ccc(NC(=O)c2ccon2)cc1 ZINC000044585378 182491443 /nfs/dbraw/zinc/49/14/43/182491443.db2.gz HMHHOUOJXFLMSI-UHFFFAOYSA-N -1 0 246.222 1.554 50 0 BDAARM O=C([O-])Cc1csc(Cc2ccccn2)n1 ZINC000032627380 182494748 /nfs/dbraw/zinc/49/47/48/182494748.db2.gz KVSHSFJYIBHWOG-UHFFFAOYSA-N -1 0 234.280 1.756 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000003104988 182507299 /nfs/dbraw/zinc/50/72/99/182507299.db2.gz ZONVRPYTUSSRDE-ZCFIWIBFSA-N -1 0 241.193 1.402 50 0 BDAARM O=C([O-])[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000037359201 182530219 /nfs/dbraw/zinc/53/02/19/182530219.db2.gz WMLCDNYERRLQSF-NSHDSACASA-N -1 0 239.246 1.284 50 0 BDAARM O=C([O-])[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000001718843 182521570 /nfs/dbraw/zinc/52/15/70/182521570.db2.gz HSRHXCGLDFNPCI-DTWKUNHWSA-N -1 0 206.197 1.375 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc[nH]n1 ZINC000013961036 182532313 /nfs/dbraw/zinc/53/23/13/182532313.db2.gz JQHJVZCWANCGBW-SFYZADRCSA-N -1 0 235.243 1.015 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000071405197 182539854 /nfs/dbraw/zinc/53/98/54/182539854.db2.gz ABPQPZVEEIOCGY-BDAKNGLRSA-N -1 0 234.255 1.521 50 0 BDAARM O=C([O-])c1cc(Br)ncc1F ZINC000030677675 182553955 /nfs/dbraw/zinc/55/39/55/182553955.db2.gz VRHKBNFQGHNLIJ-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM O=C([O-])c1ccc(NC(=O)c2cnccn2)cc1 ZINC000004749098 182568091 /nfs/dbraw/zinc/56/80/91/182568091.db2.gz AFAJVOBGIKEDMT-UHFFFAOYSA-N -1 0 243.222 1.427 50 0 BDAARM O=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000002524975 182585729 /nfs/dbraw/zinc/58/57/29/182585729.db2.gz HHIMRBSDYARGRE-UHFFFAOYSA-N -1 0 221.134 1.721 50 0 BDAARM O=C([O-])c1cnc(-c2cccnc2)nc1 ZINC000019091377 182588180 /nfs/dbraw/zinc/58/81/80/182588180.db2.gz MORKTPRONBOIJR-UHFFFAOYSA-N -1 0 201.185 1.237 50 0 BDAARM O=c1cn[n-]c(Nc2ccccc2F)n1 ZINC000012732073 183006201 /nfs/dbraw/zinc/00/62/01/183006201.db2.gz MPKJZKSPUNKYDG-UHFFFAOYSA-N -1 0 206.180 1.048 50 0 BDAARM O=c1cn[n-]c(NC2CCCCCCC2)n1 ZINC000005009528 183007004 /nfs/dbraw/zinc/00/70/04/183007004.db2.gz WHAMQGWXIXSKDG-UHFFFAOYSA-N -1 0 222.292 1.690 50 0 BDAARM O=c1c2c(nc3[n-]c(C(F)(F)F)nn31)CCC2 ZINC000016993799 183255870 /nfs/dbraw/zinc/25/58/70/183255870.db2.gz ONVXBYHQOZLYNN-UHFFFAOYSA-N -1 0 244.176 1.337 50 0 BDAARM O=c1cc(C(F)(F)C(F)(F)F)[n-][nH]1 ZINC000002536619 183256403 /nfs/dbraw/zinc/25/64/03/183256403.db2.gz ZDLSKOYLEDXHJD-UHFFFAOYSA-N -1 0 202.082 1.769 50 0 BDAARM CCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)[O-] ZINC000169676833 169184875 /nfs/dbraw/zinc/18/48/75/169184875.db2.gz UEPVSFGPKIZQFO-GFCCVEGCSA-N -1 0 233.267 1.607 50 0 BDAARM CCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000006043298 169248232 /nfs/dbraw/zinc/24/82/32/169248232.db2.gz DUWRESTURQQSES-DTWKUNHWSA-N -1 0 213.277 1.404 50 0 BDAARM CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000006697080 169272921 /nfs/dbraw/zinc/27/29/21/169272921.db2.gz WEXMBOAZBOVQSM-UHFFFAOYSA-N -1 0 243.284 1.073 50 0 BDAARM CCCOCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095955649 169308400 /nfs/dbraw/zinc/30/84/00/169308400.db2.gz YTEJACUXSMCMJS-UHFFFAOYSA-N -1 0 237.255 1.750 50 0 BDAARM CCCOc1ccc(OCC(=O)[O-])cc1 ZINC000004219013 169320940 /nfs/dbraw/zinc/32/09/40/169320940.db2.gz ZOZBDXUBFHRCQD-UHFFFAOYSA-N -1 0 210.229 1.939 50 0 BDAARM CCCS(=O)(=O)[N-]c1onc(C)c1C ZINC000095990492 169334089 /nfs/dbraw/zinc/33/40/89/169334089.db2.gz SYTYRUWGPTYQCB-UHFFFAOYSA-N -1 0 218.278 1.443 50 0 BDAARM CCC[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000020249924 169352053 /nfs/dbraw/zinc/35/20/53/169352053.db2.gz HHNRWCVGXHEGNF-BDAKNGLRSA-N -1 0 215.293 1.648 50 0 BDAARM O=C([O-])CCC(=O)Nc1cccc(F)c1 ZINC000000072325 383822214 /nfs/dbraw/zinc/82/22/14/383822214.db2.gz DEMYDUHFZZUBGL-UHFFFAOYSA-N -1 0 211.192 1.629 50 0 BDAARM O=C([O-])CCC(=O)Nc1nc(C2CC2)cs1 ZINC000000271859 383850692 /nfs/dbraw/zinc/85/06/92/383850692.db2.gz VPHZHJHSHBGPSH-UHFFFAOYSA-N -1 0 240.284 1.824 50 0 BDAARM O=C([O-])COc1cccc2nsnc21 ZINC000000326328 383854485 /nfs/dbraw/zinc/85/44/85/383854485.db2.gz ZIGWXPPBJHAPGN-UHFFFAOYSA-N -1 0 210.214 1.155 50 0 BDAARM O=C([O-])Cc1ncccc1C(F)(F)F ZINC000035569940 383858317 /nfs/dbraw/zinc/85/83/17/383858317.db2.gz CGXGLHGMLGPAQT-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM CC(=O)c1c(C)nn(CCC(=O)[O-])c1C ZINC000000814062 383880410 /nfs/dbraw/zinc/88/04/10/383880410.db2.gz XQLFKVOEQTWWDK-UHFFFAOYSA-N -1 0 210.233 1.177 50 0 BDAARM C[C@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000000802044 383880618 /nfs/dbraw/zinc/88/06/18/383880618.db2.gz OONRYWBUICKQEV-ZCFIWIBFSA-N -1 0 228.273 1.583 50 0 BDAARM O=C([O-])CSc1nnc(-c2ccco2)o1 ZINC000000496028 383873016 /nfs/dbraw/zinc/87/30/16/383873016.db2.gz WMMOVVYXIVGNHJ-UHFFFAOYSA-N -1 0 226.213 1.506 50 0 BDAARM O=C([O-])CNC(=O)c1ccc(Cl)cc1Cl ZINC000000144804 383833038 /nfs/dbraw/zinc/83/30/38/383833038.db2.gz NSEWCAZRGRZTHU-UHFFFAOYSA-N -1 0 248.065 1.808 50 0 BDAARM Cc1nccn1-c1ccnc(C(=O)[O-])c1 ZINC000036896253 383916767 /nfs/dbraw/zinc/91/67/67/383916767.db2.gz QPKZDTHQPHXYFD-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1nc(C(=O)[O-])nn1-c1ccccc1Cl ZINC000036879040 383918596 /nfs/dbraw/zinc/91/85/96/383918596.db2.gz WJNAOSHNSBEKEB-UHFFFAOYSA-N -1 0 237.646 1.927 50 0 BDAARM O=C([O-])CCc1cc(Br)no1 ZINC000001567452 383905781 /nfs/dbraw/zinc/90/57/81/383905781.db2.gz GGFSCLOKBUSHSE-UHFFFAOYSA-N -1 0 220.022 1.454 50 0 BDAARM Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1 ZINC000001558861 383905803 /nfs/dbraw/zinc/90/58/03/383905803.db2.gz LXFQSRIDYRFTJW-UHFFFAOYSA-N -1 0 200.259 1.859 50 0 BDAARM Cc1ccc(C(=O)NCCCC(=O)[O-])o1 ZINC000002578344 383978575 /nfs/dbraw/zinc/97/85/75/383978575.db2.gz DBFNKBJGONJPCB-UHFFFAOYSA-N -1 0 211.217 1.183 50 0 BDAARM CC([O-])=C1C(=O)CC(c2ccco2)CC1=O ZINC000100218445 383936129 /nfs/dbraw/zinc/93/61/29/383936129.db2.gz YCPHFZTXIHZWJU-UHFFFAOYSA-N -1 0 220.224 1.500 50 0 BDAARM O=C([O-])Cn1nc(C2CC2)cc1C(F)F ZINC000002554083 383973773 /nfs/dbraw/zinc/97/37/73/383973773.db2.gz GBBLFSIRMZHIRY-UHFFFAOYSA-N -1 0 216.187 1.783 50 0 BDAARM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002562517 383976362 /nfs/dbraw/zinc/97/63/62/383976362.db2.gz ITXBKRHPHSTADP-ZETCQYMHSA-N -1 0 233.264 1.001 50 0 BDAARM Cn1nc(C(=O)[O-])c(Cl)c1C(F)(F)F ZINC000002559433 383976757 /nfs/dbraw/zinc/97/67/57/383976757.db2.gz ZGXCZXXWVJQHJG-UHFFFAOYSA-N -1 0 228.557 1.791 50 0 BDAARM C[C@H](NC(=O)c1ccccc1F)C(=O)[O-] ZINC000004201403 384044749 /nfs/dbraw/zinc/04/47/49/384044749.db2.gz WPQXEFUAUOMLQE-LURJTMIESA-N -1 0 211.192 1.029 50 0 BDAARM CC(=O)c1sc(NCCCC(=O)[O-])nc1C ZINC000004218564 384046780 /nfs/dbraw/zinc/04/67/80/384046780.db2.gz QKPLFCRVSBFDLA-UHFFFAOYSA-N -1 0 242.300 1.931 50 0 BDAARM O=C([O-])CCn1nc(-c2cccs2)oc1=O ZINC000004218813 384047198 /nfs/dbraw/zinc/04/71/98/384047198.db2.gz ZHQCFXRTKFZAJJ-UHFFFAOYSA-N -1 0 240.240 1.040 50 0 BDAARM CC(=O)N1[C@@H](c2ccco2)SC[C@@H]1C(=O)[O-] ZINC000004218846 384048458 /nfs/dbraw/zinc/04/84/58/384048458.db2.gz TUMPYVWHXLSDJY-VXNVDRBHSA-N -1 0 241.268 1.327 50 0 BDAARM O=C([O-])CCCc1nc(-c2cccnc2)no1 ZINC000003882918 384031872 /nfs/dbraw/zinc/03/18/72/384031872.db2.gz YRXOIZROPWIKJE-UHFFFAOYSA-N -1 0 233.227 1.539 50 0 BDAARM CC(C)CO[C@@H]1C(=O)CCC[C@@H]1CC(=O)[O-] ZINC000004839467 384083427 /nfs/dbraw/zinc/08/34/27/384083427.db2.gz ZGLOOFZDWDJHCH-SKDRFNHKSA-N -1 0 228.288 1.872 50 0 BDAARM O=C([O-])CCc1cc(Cl)nc(Cl)n1 ZINC000090694521 384067274 /nfs/dbraw/zinc/06/72/74/384067274.db2.gz JNJOJPVJDFNUNZ-UHFFFAOYSA-N -1 0 221.043 1.801 50 0 BDAARM O=C([O-])Cc1ccc2c(c1)OCCCO2 ZINC000004985980 384095363 /nfs/dbraw/zinc/09/53/63/384095363.db2.gz CQJUSOWHUIENHK-UHFFFAOYSA-N -1 0 208.213 1.475 50 0 BDAARM Cc1nc(-c2cccnc2)ncc1C(=O)[O-] ZINC000040162812 384128823 /nfs/dbraw/zinc/12/88/23/384128823.db2.gz LWBPSVFSYUOCOS-UHFFFAOYSA-N -1 0 215.212 1.545 50 0 biogenic BDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2cccs2)N1 ZINC000005819052 384132736 /nfs/dbraw/zinc/13/27/36/384132736.db2.gz AOYPUEQTXLZQGC-OIBJUYFYSA-N -1 0 249.295 1.160 50 0 BDAARM O=C([O-])CC[C@@H]1Sc2ccccc2NC1=O ZINC000006243620 384149120 /nfs/dbraw/zinc/14/91/20/384149120.db2.gz CIIZCVMHELVRTD-VIFPVBQESA-N -1 0 237.280 1.964 50 0 BDAARM O=C([O-])CSc1n[nH]c(-c2ccccc2)n1 ZINC000006530212 384155844 /nfs/dbraw/zinc/15/58/44/384155844.db2.gz NBGARSVWAUUWLK-UHFFFAOYSA-N -1 0 235.268 1.648 50 0 BDAARM COc1ccc(Cn2nc(C(=O)[O-])cc2C)cc1 ZINC000071560433 384172191 /nfs/dbraw/zinc/17/21/91/384172191.db2.gz QSLRSLIEJFJOOI-UHFFFAOYSA-N -1 0 246.266 1.947 50 0 BDAARM O=C([O-])c1nnn(-c2ccccc2Cl)n1 ZINC000071531845 384169467 /nfs/dbraw/zinc/16/94/67/384169467.db2.gz OEALLFQYQSFVQA-UHFFFAOYSA-N -1 0 224.607 1.014 50 0 BDAARM CCOc1ccc(F)c(CC(=O)[O-])c1F ZINC000071867321 384185291 /nfs/dbraw/zinc/18/52/91/384185291.db2.gz CXLCGFWZQHJZNB-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM O=C([O-])c1ccc(OC2COC2)c(F)c1 ZINC000071791966 384180544 /nfs/dbraw/zinc/18/05/44/384180544.db2.gz ASUVPHSYHHOVGC-UHFFFAOYSA-N -1 0 212.176 1.302 50 0 BDAARM C[C@@]1(C(=O)[O-])CC(c2cccs2)=NO1 ZINC000071980997 384192559 /nfs/dbraw/zinc/19/25/59/384192559.db2.gz YXYZOOYAJWPNSW-VIFPVBQESA-N -1 0 211.242 1.716 50 0 BDAARM CC(C)(C)OC(=O)N1CC2(CC(C(=O)[O-])C2)C1 ZINC000072194317 384200816 /nfs/dbraw/zinc/20/08/16/384200816.db2.gz SZAAHQWPPBNUQR-UHFFFAOYSA-N -1 0 241.287 1.718 50 0 BDAARM O=C([O-])CCc1cc2ccccc2[nH]c1=O ZINC000011981883 384304112 /nfs/dbraw/zinc/30/41/12/384304112.db2.gz MAJKZLDETGGBOT-UHFFFAOYSA-N -1 0 217.224 1.545 50 0 BDAARM O=C([O-])CCCN1C(=S)CSC1=S ZINC000012505496 384322635 /nfs/dbraw/zinc/32/26/35/384322635.db2.gz VBPOMYQMXTULDC-UHFFFAOYSA-N -1 0 235.355 1.512 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)no1 ZINC000097018193 384284809 /nfs/dbraw/zinc/28/48/09/384284809.db2.gz CJMNRKNCMMZIKI-LLVKDONJSA-N -1 0 240.259 1.356 50 0 BDAARM CCCCC[C@@H](NC(=O)C1CC1)C(=O)[O-] ZINC000097036373 384293698 /nfs/dbraw/zinc/29/36/98/384293698.db2.gz VKFHLFRXGNJQBC-SECBINFHSA-N -1 0 213.277 1.546 50 0 BDAARM Cc1ccc(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000097036757 384293942 /nfs/dbraw/zinc/29/39/42/384293942.db2.gz ZDJNLCACLQAUIL-RYUDHWBXSA-N -1 0 247.294 1.374 50 0 BDAARM COC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000013126796 384349725 /nfs/dbraw/zinc/34/97/25/384349725.db2.gz QVGYDSZTIAGYSK-UHFFFAOYSA-N -1 0 219.196 1.020 50 0 biogenic BDAARM Cc1cnn2c1nc(C(F)(F)F)cc2C(=O)[O-] ZINC000095098632 384365234 /nfs/dbraw/zinc/36/52/34/384365234.db2.gz FVVPKUNEEAQXPQ-UHFFFAOYSA-N -1 0 245.160 1.755 50 0 BDAARM O=C([O-])c1cccc(OC2CC=CC2)n1 ZINC000095919618 384408552 /nfs/dbraw/zinc/40/85/52/384408552.db2.gz OWJNCTAPMJXUSA-UHFFFAOYSA-N -1 0 205.213 1.877 50 0 BDAARM CO[N-]C(=O)COc1ccc2ccccc2c1 ZINC000017821872 384423326 /nfs/dbraw/zinc/42/33/26/384423326.db2.gz CITMNSRODKPGRS-UHFFFAOYSA-N -1 0 231.251 1.896 50 0 BDAARM O=C([O-])c1cnc2c(Br)cnn2c1 ZINC000095627128 384383151 /nfs/dbraw/zinc/38/31/51/384383151.db2.gz GBQGTCYTOSPGPY-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM Cc1n[n-]c(SCCc2ccccc2)nc1=O ZINC000096287845 384449416 /nfs/dbraw/zinc/44/94/16/384449416.db2.gz BODKIUXYWMOLCS-UHFFFAOYSA-N -1 0 247.323 1.808 50 0 BDAARM O=C([O-])c1nc(OC(F)F)ccc1F ZINC000047203378 384444032 /nfs/dbraw/zinc/44/40/32/384444032.db2.gz AYNXTVMVDZSZCE-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM O=C([O-])/C=C/C(=O)N[C@@H]1CCCc2ccccc21 ZINC000016972983 384477405 /nfs/dbraw/zinc/47/74/05/384477405.db2.gz YJOHDCRTUHAMIU-IDVQTMNDSA-N -1 0 245.278 1.821 50 0 BDAARM CC(C)[C@H](C)N(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000097017649 384498358 /nfs/dbraw/zinc/49/83/58/384498358.db2.gz YDDICTCWMBQXHC-GDPRMGEGSA-N -1 0 239.315 1.743 50 0 BDAARM O=C([O-])CCC[C@@H]1C(=O)Nc2ccccc21 ZINC000019701878 384534512 /nfs/dbraw/zinc/53/45/12/384534512.db2.gz CDVWMZQPMYOBJM-VIFPVBQESA-N -1 0 219.240 1.977 50 0 biogenic BDAARM O=C([O-])CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000238161074 384520593 /nfs/dbraw/zinc/52/05/93/384520593.db2.gz BDXHJTQSZOZDFZ-NSHDSACASA-N -1 0 239.246 1.284 50 0 BDAARM CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)[O-] ZINC000019486275 384525274 /nfs/dbraw/zinc/52/52/74/384525274.db2.gz ZTTIAZCVZOGTEI-IUCAKERBSA-N -1 0 202.250 1.291 50 0 BDAARM O=C([O-])CCCCCNc1ncccn1 ZINC000019514212 384529431 /nfs/dbraw/zinc/52/94/31/384529431.db2.gz DUTIDVUAPOIARF-UHFFFAOYSA-N -1 0 209.249 1.534 50 0 BDAARM O=C([O-])CNC(=O)c1cc2c(s1)CCCC2 ZINC000019835163 384546595 /nfs/dbraw/zinc/54/65/95/384546595.db2.gz ZUCWOWQTTVMESP-UHFFFAOYSA-N -1 0 239.296 1.441 50 0 BDAARM Nc1ncc(C(=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000097757476 384553925 /nfs/dbraw/zinc/55/39/25/384553925.db2.gz LEQGJLBCQVWBNI-UHFFFAOYSA-N -1 0 233.202 1.563 50 0 BDAARM O=C([O-])CN(CC1CC1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000097035486 384561552 /nfs/dbraw/zinc/56/15/52/384561552.db2.gz FMQVZMOEIVOXCK-WDEREUQCSA-N -1 0 237.299 1.356 50 0 BDAARM O=C([O-])CN1c2ccccc2SCCC1=O ZINC000019737437 384538030 /nfs/dbraw/zinc/53/80/30/384538030.db2.gz RNEVRGBGMMXSJL-UHFFFAOYSA-N -1 0 237.280 1.600 50 0 BDAARM O=C([O-])/C=C\c1ccccc1-n1cccn1 ZINC000097922806 384578034 /nfs/dbraw/zinc/57/80/34/384578034.db2.gz JGBSTCIQXRSQLQ-SREVYHEPSA-N -1 0 214.224 1.970 50 0 BDAARM O=C([O-])c1cc(Br)c[nH]c1=S ZINC000050044514 384587003 /nfs/dbraw/zinc/58/70/03/384587003.db2.gz DDZWSUQIIGXVJC-UHFFFAOYSA-N -1 0 234.074 1.831 50 0 BDAARM O=C([O-])CCCOc1ccc2c(c1)NC(=O)CC2 ZINC000098209888 384603688 /nfs/dbraw/zinc/60/36/88/384603688.db2.gz JLLAHJYNQOJXOM-UHFFFAOYSA-N -1 0 249.266 1.815 50 0 BDAARM O=C(C=C([O-])c1ccccn1)c1ccccn1 ZINC000100005308 384607183 /nfs/dbraw/zinc/60/71/83/384607183.db2.gz DCGUVLMWGIPVDP-UHFFFAOYSA-N -1 0 226.235 1.932 50 0 BDAARM O=C([O-])c1cn(CC2CCCCC2)nn1 ZINC000050213579 384609011 /nfs/dbraw/zinc/60/90/11/384609011.db2.gz OBLCMHUEEANYHO-UHFFFAOYSA-N -1 0 209.249 1.557 50 0 BDAARM O=C([O-])C1CCN(C(=O)c2ccsc2)CC1 ZINC000020281866 384610181 /nfs/dbraw/zinc/61/01/81/384610181.db2.gz SWCSHNSONOITHQ-UHFFFAOYSA-N -1 0 239.296 1.685 50 0 BDAARM CC(C)(C)OC(=O)N1C([O-])=CC(=O)C1(C)C ZINC000100088913 384616169 /nfs/dbraw/zinc/61/61/69/384616169.db2.gz WAXXNFZYMOMJPD-UHFFFAOYSA-N -1 0 227.260 1.502 50 0 BDAARM CCCc1[nH]nc(C(=O)[O-])c1Br ZINC000050324774 384619030 /nfs/dbraw/zinc/61/90/30/384619030.db2.gz OBKBHRWLBHADOU-UHFFFAOYSA-N -1 0 233.065 1.823 50 0 BDAARM CCc1c([O-])c2ccccc2n(C)c1=O ZINC000100165117 384621084 /nfs/dbraw/zinc/62/10/84/384621084.db2.gz GBIJHNPKJYDJOY-UHFFFAOYSA-N -1 0 203.241 1.807 50 0 BDAARM COc1cc(C(=O)[O-])nc(-c2ccccc2)n1 ZINC000052507966 384735803 /nfs/dbraw/zinc/73/58/03/384735803.db2.gz UXPFEVPQMWWLCL-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)C1CC=CC1 ZINC000082865936 384743194 /nfs/dbraw/zinc/74/31/94/384743194.db2.gz JSHXXHISACZRPH-JTQLQIEISA-N -1 0 223.272 1.418 50 0 BDAARM Nc1c(C(=O)[O-])nc2c(Cl)cc(Cl)cn12 ZINC000082694370 384743302 /nfs/dbraw/zinc/74/33/02/384743302.db2.gz GLXITHYFCQWROV-UHFFFAOYSA-N -1 0 246.053 1.922 50 0 BDAARM O=C([O-])C[C@H]1CC(=O)Nc2ccccc21 ZINC000057938129 384748573 /nfs/dbraw/zinc/74/85/73/384748573.db2.gz NNHOCNIVPRRFFB-SSDOTTSWSA-N -1 0 205.213 1.587 50 0 BDAARM CCc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000084199347 384758677 /nfs/dbraw/zinc/75/86/77/384758677.db2.gz NYGLNWYIOPVZNO-VXGBXAGGSA-N -1 0 247.294 1.586 50 0 BDAARM O=Cc1cc(C(=O)[O-])ccc1Br ZINC000104830481 384846018 /nfs/dbraw/zinc/84/60/18/384846018.db2.gz BCCWNHVSVOSFOT-UHFFFAOYSA-N -1 0 229.029 1.960 50 0 BDAARM CC(C)(C)OC(=O)C1(C(=O)[O-])CCSCC1 ZINC000583650898 384857114 /nfs/dbraw/zinc/85/71/14/384857114.db2.gz ZLVFGABBUXBZQM-UHFFFAOYSA-N -1 0 246.328 1.926 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)[O-])C1 ZINC000258828213 384934236 /nfs/dbraw/zinc/93/42/36/384934236.db2.gz FITPVQKCXOGZGO-OCAPTIKFSA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])[C@@]12CCCC=C1N(C1CC1)C(=O)CC2 ZINC000085347685 384937926 /nfs/dbraw/zinc/93/79/26/384937926.db2.gz STJJWIZXPNMKEH-CYBMUJFWSA-N -1 0 235.283 1.910 50 0 BDAARM O=C([O-])COCC(=O)Nc1ccc(Cl)cc1 ZINC000004681020 384996073 /nfs/dbraw/zinc/99/60/73/384996073.db2.gz RDBFYDPUOHJDOK-UHFFFAOYSA-N -1 0 243.646 1.380 50 0 BDAARM Cc1cc(C(=O)[O-])c2sc(N)nc2n1 ZINC000062151927 385163092 /nfs/dbraw/zinc/16/30/92/385163092.db2.gz BSRHQOVLLXGTBF-UHFFFAOYSA-N -1 0 209.230 1.280 50 0 BDAARM Cc1cc(C(=O)NC2(C(=O)[O-])CC2)ccc1F ZINC000096424761 385164657 /nfs/dbraw/zinc/16/46/57/385164657.db2.gz RXMVVXIFDXAOIS-UHFFFAOYSA-N -1 0 237.230 1.481 50 0 BDAARM CC(C)[C@@H](NC(=O)c1ccc(O)cc1)C(=O)[O-] ZINC000000517554 385394557 /nfs/dbraw/zinc/39/45/57/385394557.db2.gz YPGXLNKTTHNTDX-SNVBAGLBSA-N -1 0 237.255 1.231 50 0 biogenic BDAARM CCC[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000020249926 385452993 /nfs/dbraw/zinc/45/29/93/385452993.db2.gz HHNRWCVGXHEGNF-IUCAKERBSA-N -1 0 215.293 1.648 50 0 BDAARM CCc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)nc1 ZINC000065468852 385629476 /nfs/dbraw/zinc/62/94/76/385629476.db2.gz ZODKBGIBHWHHNR-SNVBAGLBSA-N -1 0 248.282 1.077 50 0 BDAARM CCC[C@H](NC(=O)Cc1cccc(C)c1)C(=O)[O-] ZINC000052127446 385700171 /nfs/dbraw/zinc/70/01/71/385700171.db2.gz VOKKVUNOBYTTCD-LBPRGKRZSA-N -1 0 249.310 1.907 50 0 BDAARM Cc1c(C(=O)[O-])cncc1-n1cccc1 ZINC000215666262 385848391 /nfs/dbraw/zinc/84/83/91/385848391.db2.gz VWGMKWUMPICJFZ-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM CN(C)c1nccnc1-c1ccc(C(=O)[O-])s1 ZINC000215912544 385852445 /nfs/dbraw/zinc/85/24/45/385852445.db2.gz LUKLMDICSKJJOV-UHFFFAOYSA-N -1 0 249.295 1.969 50 0 BDAARM COc1cc(C(=O)[O-])cc(-c2cncc(N)c2)n1 ZINC000219179233 385921697 /nfs/dbraw/zinc/92/16/97/385921697.db2.gz ISPARMLJCJCLAO-UHFFFAOYSA-N -1 0 245.238 1.433 50 0 BDAARM CCCCNc1nc(CC(=O)[O-])cs1 ZINC000008024958 385926062 /nfs/dbraw/zinc/92/60/62/385926062.db2.gz WBSQVCGMIYTJFR-UHFFFAOYSA-N -1 0 214.290 1.982 50 0 BDAARM O=Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000001526830 386642021 /nfs/dbraw/zinc/64/20/21/386642021.db2.gz RBKHKPYJTMLEIM-UHFFFAOYSA-N -1 0 201.181 1.746 50 0 BDAARM Cn1ccnc1CNc1ccc(C(=O)[O-])cc1 ZINC000051921410 386831487 /nfs/dbraw/zinc/83/14/87/386831487.db2.gz ZQGSZOJGSFKTSS-UHFFFAOYSA-N -1 0 231.255 1.730 50 0 BDAARM O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC1 ZINC000047343304 386947066 /nfs/dbraw/zinc/94/70/66/386947066.db2.gz CAFLIJYVBVEYAT-UHFFFAOYSA-N -1 0 229.243 1.215 50 0 BDAARM CC/C=C(\C)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000019504614 387273792 /nfs/dbraw/zinc/27/37/92/387273792.db2.gz DSOOXZWJWCBFCE-OLKPEBQYSA-N -1 0 225.288 1.808 50 0 BDAARM CC(C)OC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000115775912 387305781 /nfs/dbraw/zinc/30/57/81/387305781.db2.gz FGUDXPCDXVOUPE-DTWKUNHWSA-N -1 0 214.261 1.829 50 0 BDAARM CCCc1cnc([N-]S(=O)(=O)CC)s1 ZINC000130333567 387604304 /nfs/dbraw/zinc/60/43/04/387604304.db2.gz XRNLJISVHQLFFV-UHFFFAOYSA-N -1 0 234.346 1.857 50 0 BDAARM Cn1ncc2c1CCC[C@H]2[N-]C(=O)C(F)(F)F ZINC000070267122 387689647 /nfs/dbraw/zinc/68/96/47/387689647.db2.gz BGUIIFNJBBIGTG-SSDOTTSWSA-N -1 0 247.220 1.476 50 0 BDAARM O=C([O-])CC(=O)Nc1nc2ccccc2s1 ZINC000006277050 387757468 /nfs/dbraw/zinc/75/74/68/387757468.db2.gz ITHJNIIGMKKVJO-UHFFFAOYSA-N -1 0 236.252 1.710 50 0 BDAARM Cc1cc2c(Cl)ncnc2nc1C(=O)[O-] ZINC000521399465 256515460 /nfs/dbraw/zinc/51/54/60/256515460.db2.gz MXPWFNSWLRCSGD-UHFFFAOYSA-N -1 0 223.619 1.685 50 0 BDAARM C[C@@H](Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000195541375 388479112 /nfs/dbraw/zinc/47/91/12/388479112.db2.gz KLWZPATUINPFOU-NSHDSACASA-N -1 0 249.310 1.846 50 0 BDAARM Cc1c(Br)n(C)nc1C(=O)[O-] ZINC000096509875 388684500 /nfs/dbraw/zinc/68/45/00/388684500.db2.gz QOLBTIVDPGFOIO-UHFFFAOYSA-N -1 0 219.038 1.189 50 0 BDAARM C[C@H](NC(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111184583 388657799 /nfs/dbraw/zinc/65/77/99/388657799.db2.gz WWYSZIWHWMVWTP-WPRPVWTQSA-N -1 0 249.266 1.142 50 0 BDAARM CC(C)(C)OC(=O)N1CC(=O)CC[C@@H]1C(=O)[O-] ZINC000095627093 388781342 /nfs/dbraw/zinc/78/13/42/388781342.db2.gz NYIZAJLUNOQXFW-MRVPVSSYSA-N -1 0 243.259 1.040 50 0 BDAARM Cc1ccc(CC(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC000096476285 388819986 /nfs/dbraw/zinc/81/99/86/388819986.db2.gz UFAHXMBRLHMYRH-UHFFFAOYSA-N -1 0 247.294 1.661 50 0 BDAARM CC[C@@H](C(=O)[O-])N1c2ccccc2O[C@@H](C)C1=O ZINC000005185116 132317496 /nfs/dbraw/zinc/31/74/96/132317496.db2.gz PHHQPAMCZCDDGC-IUCAKERBSA-N -1 0 249.266 1.664 50 0 BDAARM Cc1nc(N2CCCCC2)ncc1C(=O)[O-] ZINC000011729722 132320384 /nfs/dbraw/zinc/32/03/84/132320384.db2.gz ZSUDXFSROAJWIJ-UHFFFAOYSA-N -1 0 221.260 1.474 50 0 BDAARM Cc1nc(N2CCC(C)CC2)ncc1C(=O)[O-] ZINC000011729723 132320432 /nfs/dbraw/zinc/32/04/32/132320432.db2.gz WKWJRRHPKSOARW-UHFFFAOYSA-N -1 0 235.287 1.720 50 0 BDAARM O=C([O-])c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021924086 132331944 /nfs/dbraw/zinc/33/19/44/132331944.db2.gz NNMFHYLZRLDOPL-LLVKDONJSA-N -1 0 246.266 1.696 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCOc2ccccc21 ZINC000037517821 132344696 /nfs/dbraw/zinc/34/46/96/132344696.db2.gz WFDDIKHXHKHXBX-RKDXNWHRSA-N -1 0 247.250 1.133 50 0 BDAARM O=C([O-])c1ccc(N2CCOCC2)cc1F ZINC000042684468 132352624 /nfs/dbraw/zinc/35/26/24/132352624.db2.gz NEWHCWSPQLPAIR-UHFFFAOYSA-N -1 0 225.219 1.361 50 0 BDAARM Cc1ccc2c(c1)C[N@@H+](CC(=O)[O-])C[C@@H](C)O2 ZINC000299800585 135207088 /nfs/dbraw/zinc/20/70/88/135207088.db2.gz HNCGXMMQJARGAE-SNVBAGLBSA-N -1 0 235.283 1.663 50 0 BDAARM O=C([O-])c1ccccc1-c1ccc(CO)cn1 ZINC000299803736 135207152 /nfs/dbraw/zinc/20/71/52/135207152.db2.gz AEVYZWUIVCYQII-UHFFFAOYSA-N -1 0 229.235 1.939 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@H]1CCCCO1)C1CC1 ZINC000261933724 135264597 /nfs/dbraw/zinc/26/45/97/135264597.db2.gz LTHUEYVBMAQBOY-WCBMZHEXSA-N -1 0 241.287 1.020 50 0 BDAARM C[C@]1(C(=O)N2CCC[C@H]2CC(=O)[O-])CC1(F)F ZINC000263216782 135340010 /nfs/dbraw/zinc/34/00/10/135340010.db2.gz OFXFOHQEIMEQMB-OIBJUYFYSA-N -1 0 247.241 1.497 50 0 BDAARM Cc1ccncc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000263567169 135362513 /nfs/dbraw/zinc/36/25/13/135362513.db2.gz XFENWLVBZYLRGG-VIFPVBQESA-N -1 0 248.282 1.468 50 0 BDAARM COC(=O)c1cc(Cl)cc(C(=O)[O-])n1 ZINC000066348725 398039910 /nfs/dbraw/zinc/03/99/10/398039910.db2.gz BIFNEYJNQSZEFT-UHFFFAOYSA-N -1 0 215.592 1.220 50 0 BDAARM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC000066327975 166650879 /nfs/dbraw/zinc/65/08/79/166650879.db2.gz SQAMEQQMXRHVTC-LLVKDONJSA-N -1 0 245.275 1.097 50 0 BDAARM CC(C)C1CCC(C(=O)NCC(=O)[O-])CC1 ZINC000015080245 166757147 /nfs/dbraw/zinc/75/71/47/166757147.db2.gz XNNOVXYFWCUZAG-UHFFFAOYSA-N -1 0 227.304 1.650 50 0 BDAARM CC(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000129840 167081130 /nfs/dbraw/zinc/08/11/30/167081130.db2.gz LKHIMICNMRXHFN-BDAKNGLRSA-N -1 0 213.277 1.402 50 0 BDAARM CC(C)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000002641093 167130417 /nfs/dbraw/zinc/13/04/17/167130417.db2.gz KYDKEDOKJHAVBZ-UHFFFAOYSA-N -1 0 243.284 1.072 50 0 BDAARM CC(C)Sc1nc(N)c(N=O)c(=O)[n-]1 ZINC000004085873 167338749 /nfs/dbraw/zinc/33/87/49/167338749.db2.gz AWFFBWFXGUFVSM-UHFFFAOYSA-N -1 0 214.250 1.663 50 0 BDAARM CC(C)c1nnc(NC(=O)CCC(=O)[O-])s1 ZINC000000569929 167711323 /nfs/dbraw/zinc/71/13/23/167711323.db2.gz CEKLMAPAJFPHMI-UHFFFAOYSA-N -1 0 243.288 1.465 50 0 BDAARM 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50 0 BDAARM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000032014145 175168129 /nfs/dbraw/zinc/16/81/29/175168129.db2.gz GACWXAABXADULL-WCBMZHEXSA-N -1 0 222.240 1.892 50 0 BDAARM COc1ccc(OC)c2c1cc(C(=O)[O-])n2C ZINC000000489429 175171241 /nfs/dbraw/zinc/17/12/41/175171241.db2.gz CEUWDWAXFLFQHR-UHFFFAOYSA-N -1 0 235.239 1.894 50 0 biogenic BDAARM COc1ccc2c(c1)ncc(O)c2C(=O)[O-] ZINC000084122380 175204082 /nfs/dbraw/zinc/20/40/82/175204082.db2.gz KKYHKEUOHISNNR-UHFFFAOYSA-N -1 0 219.196 1.647 50 0 BDAARM COc1ccc2cc(C(=O)[O-])n(C)c2c1 ZINC000000812777 175223855 /nfs/dbraw/zinc/22/38/55/175223855.db2.gz KXACSDHQSUBYNG-UHFFFAOYSA-N -1 0 205.213 1.885 50 0 BDAARM COc1ccc2oc(=O)c(C(=O)[O-])cc2c1 ZINC000000103684 175230795 /nfs/dbraw/zinc/23/07/95/175230795.db2.gz XIQQAIQZABTSNZ-UHFFFAOYSA-N -1 0 220.180 1.500 50 0 biogenic,in-vivo BDAARM COc1cccc(NCCCC(=O)[O-])c1 ZINC000019412109 175278603 /nfs/dbraw/zinc/27/86/03/175278603.db2.gz ZNPBQZZRNKNNSK-UHFFFAOYSA-N -1 0 209.245 1.972 50 0 BDAARM COc1cccc2c(C(=O)[O-])ccnc12 ZINC000026475378 175298361 /nfs/dbraw/zinc/29/83/61/175298361.db2.gz NEBCNIRZMNKUQQ-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 BDAARM COc1ccccc1CN1C[C@H](C(=O)[O-])CC1=O ZINC000000266678 175328617 /nfs/dbraw/zinc/32/86/17/175328617.db2.gz HUZIUKRMHVQZMF-SNVBAGLBSA-N -1 0 249.266 1.128 50 0 BDAARM COc1ccccc1[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000000859745 175349696 /nfs/dbraw/zinc/34/96/96/175349696.db2.gz LEVUYFUCJRHCNR-WCBMZHEXSA-N -1 0 239.296 1.483 50 0 BDAARM COc1nc(Cl)c(C(=O)[O-])cc1F ZINC000040564465 175391600 /nfs/dbraw/zinc/39/16/00/175391600.db2.gz UATPMYHTVZWCPY-UHFFFAOYSA-N -1 0 205.572 1.581 50 0 BDAARM CS(=O)(=O)C=C([O-])c1c[nH]c2ccccc12 ZINC000014007614 175419446 /nfs/dbraw/zinc/41/94/46/175419446.db2.gz USMMRSLOWZEGTL-UHFFFAOYSA-N -1 0 237.280 1.395 50 0 in-vitro BDAARM CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1 ZINC000008672510 175589439 /nfs/dbraw/zinc/58/94/39/175589439.db2.gz ZBSZIRBJORCNGH-UHFFFAOYSA-N -1 0 248.307 1.788 50 0 BDAARM C[C@@H](C(=O)[O-])n1cc(N)c(C(F)(F)F)n1 ZINC000012357632 175628651 /nfs/dbraw/zinc/62/86/51/175628651.db2.gz UVRYYASDOMPGLU-VKHMYHEASA-N -1 0 223.154 1.130 50 0 BDAARM C[C@@H](Oc1ccc(C(=O)[O-])cc1)C(=O)N(C)C ZINC000008982516 176004109 /nfs/dbraw/zinc/00/41/09/176004109.db2.gz PDKUCNCBQKZYIC-MRVPVSSYSA-N -1 0 237.255 1.240 50 0 BDAARM C[C@@H](Oc1ccc2c(c1)OCC2=O)C(=O)[O-] ZINC000020283903 176005052 /nfs/dbraw/zinc/00/50/52/176005052.db2.gz QMVKMJZYVYLSAU-ZCFIWIBFSA-N -1 0 222.196 1.114 50 0 BDAARM C[C@@H]1CCCCN1C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000034926425 176067466 /nfs/dbraw/zinc/06/74/66/176067466.db2.gz KGENRCCKPMOQGZ-KXUCPTDWSA-N -1 0 239.315 1.744 50 0 BDAARM C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000169676192 176068266 /nfs/dbraw/zinc/06/82/66/176068266.db2.gz KGENRCCKPMOQGZ-UTLUCORTSA-N -1 0 239.315 1.744 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000108117850 176136649 /nfs/dbraw/zinc/13/66/49/176136649.db2.gz OTCUXKPIRZVVSN-BBBLOLIVSA-N -1 0 227.304 1.792 50 0 BDAARM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000035570870 176253154 /nfs/dbraw/zinc/25/31/54/176253154.db2.gz IPLCSDCAWNDONJ-SFYZADRCSA-N -1 0 229.276 1.574 50 0 BDAARM C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000351352 176360293 /nfs/dbraw/zinc/36/02/93/176360293.db2.gz FSBMSOUGCFEYBD-XINAWCOVSA-N -1 0 249.192 1.889 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716409 176386381 /nfs/dbraw/zinc/38/63/81/176386381.db2.gz YRFMVAXFNKFRJS-KCJUWKMLSA-N -1 0 233.267 1.657 50 0 BDAARM C[C@H](CN(C(=O)c1ccncc1)C1CC1)C(=O)[O-] ZINC000071732651 176647889 /nfs/dbraw/zinc/64/78/89/176647889.db2.gz YXJFEZKKYVONSY-SECBINFHSA-N -1 0 248.282 1.407 50 0 BDAARM C[C@H](OCOCC[Si](C)(C)C)C(=O)[O-] ZINC000196023880 177020899 /nfs/dbraw/zinc/02/08/99/177020899.db2.gz KNYIOTKZTBKTMT-QMMMGPOBSA-N -1 0 220.341 1.788 50 0 BDAARM C[C@H](c1ccccc1)N1C[C@H](C(=O)[O-])CC1=O ZINC000000128970 177039928 /nfs/dbraw/zinc/03/99/28/177039928.db2.gz CFGKWSDAMXTRHE-MWLCHTKSSA-N -1 0 233.267 1.681 50 0 BDAARM O=C([O-])c1nnn(-c2ccccc2)c1C(F)F ZINC000334163863 487859657 /nfs/dbraw/zinc/85/96/57/487859657.db2.gz PXOHWNBANPFVKI-UHFFFAOYSA-N -1 0 239.181 1.903 50 0 BDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccnc2)C1 ZINC000111470374 487881444 /nfs/dbraw/zinc/88/14/44/487881444.db2.gz SFLPMYUEMFGYJO-NXEZZACHSA-N -1 0 248.282 1.911 50 0 BDAARM C=CCCC(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643908 487926532 /nfs/dbraw/zinc/92/65/32/487926532.db2.gz RAFGFBGWFNVICF-UHFFFAOYSA-N -1 0 227.304 1.958 50 0 BDAARM Cc1ccc(F)c(-c2nc(C(=O)[O-])nn2C)c1 ZINC000534670825 323158764 /nfs/dbraw/zinc/15/87/64/323158764.db2.gz KNZJIARSQLXGPL-UHFFFAOYSA-N -1 0 235.218 1.628 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCN2 ZINC000310789815 487491904 /nfs/dbraw/zinc/49/19/04/487491904.db2.gz DJMDQQLSUQDBRJ-NXEZZACHSA-N -1 0 246.266 1.314 50 0 BDAARM N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000072280850 490385049 /nfs/dbraw/zinc/38/50/49/490385049.db2.gz JZLVVCLFZFBBPJ-WDZFZDKYSA-N -1 0 239.234 1.864 50 0 BDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cccs1 ZINC000057341407 517942006 /nfs/dbraw/zinc/94/20/06/517942006.db2.gz AAPFIMRYQDNKFR-MUWHJKNJSA-N -1 0 225.269 1.352 50 0 BDAARM O=C1CCC([O-])=C1OCc1ccc(F)cc1 ZINC000334161272 526963726 /nfs/dbraw/zinc/96/37/26/526963726.db2.gz XVSKVVDDUYCBHT-UHFFFAOYSA-N -1 0 222.215 1.643 50 0 BDAARM O=C([O-])CCCCNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000195549134 527583118 /nfs/dbraw/zinc/58/31/18/527583118.db2.gz NROVRJWVBIBZHY-NXEZZACHSA-N -1 0 225.288 1.404 50 0 BDAARM O=C([O-])C[C@H](n1cccn1)C(F)(F)F ZINC000062757303 527634250 /nfs/dbraw/zinc/63/42/50/527634250.db2.gz KMYZQFSKQZWVLP-YFKPBYRVSA-N -1 0 208.139 1.461 50 0 BDAARM CCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263227719 535329045 /nfs/dbraw/zinc/32/90/45/535329045.db2.gz QECXCLUWTOAKEV-UHFFFAOYSA-N -1 0 225.219 1.801 50 0 BDAARM C[C@]1(c2ccccc2)CCC(=O)N(CC(=O)[O-])C1 ZINC000091725165 566434756 /nfs/dbraw/zinc/43/47/56/566434756.db2.gz XHGFNPFSZSELAW-AWEZNQCLSA-N -1 0 247.294 1.651 50 0 BDAARM CC(=O)Nc1ccc([S@@](=O)[O-])cc1Cl ZINC000146176761 582525113 /nfs/dbraw/zinc/52/51/13/582525113.db2.gz MJBHTMYCZXQFJA-UHFFFAOYSA-N -1 0 233.676 1.879 50 0 BDAARM O=C([O-])CCNC(=S)NCc1ccccc1 ZINC000002811512 587807094 /nfs/dbraw/zinc/80/70/94/587807094.db2.gz BJIVPNOSNOFGOD-UHFFFAOYSA-N -1 0 238.312 1.125 50 0 BDAARM O=C([O-])c1ncn(Cc2ccc(F)cc2F)n1 ZINC000310125384 601546067 /nfs/dbraw/zinc/54/60/67/601546067.db2.gz WEQOXCWCPPPVMG-UHFFFAOYSA-N -1 0 239.181 1.303 50 0 BDAARM C/C=C/C=C(\NC(=O)c1ccccc1)C(=O)[O-] ZINC000002904825 631965523 /nfs/dbraw/zinc/96/55/23/631965523.db2.gz KMIUMCGHLQWRGE-PGHCUCPLSA-N -1 0 231.251 1.961 50 0 BDAARM COC(=O)c1cc(F)c(C(=O)[O-])cc1F ZINC000259948638 632538819 /nfs/dbraw/zinc/53/88/19/632538819.db2.gz ADEFLIGNYCPJGG-UHFFFAOYSA-N -1 0 216.139 1.450 50 0 BDAARM CCC[C@H]1NC(=O)N[C@H]1CCCCCC(=O)[O-] ZINC000022339175 641204223 /nfs/dbraw/zinc/20/42/23/641204223.db2.gz UZFMJACXIWAIOR-ZJUUUORDSA-N -1 0 242.319 1.872 50 0 BDAARM O=C([O-])/C=C\c1nnc2c3ccccc3cnn12 ZINC000033573493 642227980 /nfs/dbraw/zinc/22/79/80/642227980.db2.gz NRSAJIMYAZUABV-WAYWQWQTSA-N -1 0 240.222 1.375 50 0 BDAARM CCC/C=C\C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000098010317 642654365 /nfs/dbraw/zinc/65/43/65/642654365.db2.gz OGYSMQORNIAIGA-PLNGDYQASA-N -1 0 231.317 1.199 50 0 BDAARM COC(=O)[C@@H]1CC(C)=C[C@H](C)[C@@H]1C(=O)[O-] ZINC000013451851 642869875 /nfs/dbraw/zinc/86/98/75/642869875.db2.gz CXSSUKMQLDUVRC-YIZRAAEISA-N -1 0 212.245 1.463 50 0 BDAARM O=Cc1c(Cl)cncc1N1CC[C@@H]1C(=O)[O-] ZINC000725345802 711663850 /nfs/dbraw/zinc/66/38/50/711663850.db2.gz ZTOHAZJBTXPPKW-MRVPVSSYSA-N -1 0 240.646 1.211 50 0 BDAARM Cc1ccc2c(c1)[C@@H](C(=O)[O-])C[C@@H](O)N2 ZINC000074934384 398209919 /nfs/dbraw/zinc/20/99/19/398209919.db2.gz VJGAWZSNPBFKST-WCBMZHEXSA-N -1 0 207.229 1.297 50 0 BDAARM Cc1cc(=O)n2nc(NC(=O)C(C)(C)C)[n-]c2n1 ZINC000018221948 178201779 /nfs/dbraw/zinc/20/17/79/178201779.db2.gz YHGRTULYCMQWHE-UHFFFAOYSA-N -1 0 249.274 1.123 50 0 BDAARM Cc1cc(=O)[nH]c(C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000008764065 178203864 /nfs/dbraw/zinc/20/38/64/178203864.db2.gz LGGCXDXBASLRDT-NXEZZACHSA-N -1 0 235.331 1.969 50 0 BDAARM Cc1cc(S(=O)(=O)[O-])cc(C)c1O ZINC000005765158 178217197 /nfs/dbraw/zinc/21/71/97/178217197.db2.gz DAXOZXAQOUHXEH-UHFFFAOYSA-N -1 0 202.231 1.256 50 0 BDAARM Cc1ccc(-n2cnnc2)c(C(=O)[O-])c1 ZINC000051332603 178347205 /nfs/dbraw/zinc/34/72/05/178347205.db2.gz SZFGGSXPEHCDMQ-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1ccc(-c2cn[n-]c(=NN)n2)cc1C ZINC000019090317 178330796 /nfs/dbraw/zinc/33/07/96/178330796.db2.gz TYQWSOXRGLVXPF-UHFFFAOYSA-N -1 0 215.260 1.441 50 0 BDAARM Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])o1 ZINC000000216853 178387710 /nfs/dbraw/zinc/38/77/10/178387710.db2.gz RNCDNDUTGFYJQM-VIFPVBQESA-N -1 0 237.255 1.667 50 0 BDAARM O=C(NCC[S@@](=O)[O-])OCc1ccccc1 ZINC000204661831 538953909 /nfs/dbraw/zinc/95/39/09/538953909.db2.gz VGFCLNBSLAQMLH-UHFFFAOYSA-N -1 0 243.284 1.135 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000011891280 178389349 /nfs/dbraw/zinc/38/93/49/178389349.db2.gz BRVBACYZMACJFP-LBPRGKRZSA-N -1 0 247.294 1.932 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2cccc(F)c2)N1 ZINC000000077885 342673020 /nfs/dbraw/zinc/67/30/20/342673020.db2.gz ZCIDMBKXEBMSLH-RKDXNWHRSA-N -1 0 227.260 1.614 50 0 BDAARM Cc1ccc2ncnc(N[C@@H](C)C(=O)[O-])c2c1 ZINC000000122946 342675700 /nfs/dbraw/zinc/67/57/00/342675700.db2.gz XLROUBUFLBZGKO-QMMMGPOBSA-N -1 0 231.255 1.823 50 0 BDAARM CC(C)(C)C(=O)Nc1ccncc1C(=O)[O-] ZINC000000161889 342678496 /nfs/dbraw/zinc/67/84/96/342678496.db2.gz UHGXHDOYHCDENE-UHFFFAOYSA-N -1 0 222.244 1.764 50 0 BDAARM Nc1cccc(NC(=O)CSCC(=O)[O-])c1 ZINC000000392079 342686077 /nfs/dbraw/zinc/68/60/77/342686077.db2.gz IWSSWBUQWQJPQA-UHFFFAOYSA-N -1 0 240.284 1.025 50 0 BDAARM Cc1cc(=O)oc2cc(OCC(=O)[O-])ccc12 ZINC000000056673 342671962 /nfs/dbraw/zinc/67/19/62/342671962.db2.gz SGCOMUOACCXIKH-UHFFFAOYSA-N -1 0 234.207 1.565 50 0 biogenic BDAARM C[C@H](C(=O)[O-])n1ncc2ccccc2c1=O ZINC000000814473 342693266 /nfs/dbraw/zinc/69/32/66/342693266.db2.gz GQXPIMXKYVRYBL-SSDOTTSWSA-N -1 0 218.212 1.042 50 0 BDAARM Cc1ccc(C(=O)NCC(=O)[O-])cc1C ZINC000001465750 342701367 /nfs/dbraw/zinc/70/13/67/342701367.db2.gz ZDHXVMSVUHHHAE-UHFFFAOYSA-N -1 0 207.229 1.118 50 0 BDAARM CN(C)c1ccc(C(=O)[O-])c(Cl)n1 ZINC000002386397 342719752 /nfs/dbraw/zinc/71/97/52/342719752.db2.gz KCELKMBUYRXARZ-UHFFFAOYSA-N -1 0 200.625 1.499 50 0 BDAARM O=S(=O)([O-])[C@@H](O)c1cccc2ccccc21 ZINC000002163991 342716521 /nfs/dbraw/zinc/71/65/21/342716521.db2.gz DSGWTKWZXFRFFX-LLVKDONJSA-N -1 0 238.264 1.719 50 0 BDAARM CC[C@@H](Oc1ccc(OC)cc1)C(=O)[O-] ZINC000002387554 342719873 /nfs/dbraw/zinc/71/98/73/342719873.db2.gz AQYSEMOXZAZTII-SNVBAGLBSA-N -1 0 210.229 1.937 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000004105012 342742573 /nfs/dbraw/zinc/74/25/73/342742573.db2.gz FDIYXAWZVLZPIH-RKDXNWHRSA-N -1 0 241.193 1.624 50 0 BDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccc(C)c1 ZINC000004235151 342745086 /nfs/dbraw/zinc/74/50/86/342745086.db2.gz KUIOWASZZVAXFA-WCQYABFASA-N -1 0 247.294 1.989 50 0 BDAARM C[C@H](Cn1cc(Br)cn1)C(=O)[O-] ZINC000002534249 342723128 /nfs/dbraw/zinc/72/31/28/342723128.db2.gz BDLOXYQKJPRPLS-RXMQYKEDSA-N -1 0 233.065 1.366 50 0 BDAARM C[C@@H](Cn1cnc2ccccc21)C(=O)[O-] ZINC000002584213 342725711 /nfs/dbraw/zinc/72/57/11/342725711.db2.gz NIIJKDXDTQPYOQ-QMMMGPOBSA-N -1 0 204.229 1.757 50 0 BDAARM O=C([O-])c1cc2c(c(Cl)c1)OCO2 ZINC000003399136 342732960 /nfs/dbraw/zinc/73/29/60/342732960.db2.gz LAERQWJVFGZZHL-UHFFFAOYSA-N -1 0 200.577 1.767 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)N1CCCCC1 ZINC000004700421 342750792 /nfs/dbraw/zinc/75/07/92/342750792.db2.gz UVLUTFPNPMQNQB-VIFPVBQESA-N -1 0 213.277 1.500 50 0 BDAARM CCS(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000006706554 342781402 /nfs/dbraw/zinc/78/14/02/342781402.db2.gz VZYGOFQWHRYTLG-UHFFFAOYSA-N -1 0 232.305 1.734 50 0 BDAARM CC[C@H](Nc1cccc(OC)c1)C(=O)[O-] ZINC000008702738 342802823 /nfs/dbraw/zinc/80/28/23/342802823.db2.gz NSMXPZXYOOPULG-JTQLQIEISA-N -1 0 209.245 1.970 50 0 BDAARM O=C1NC(=O)[C@@]2(CCCCc3ccccc32)N1 ZINC000007784440 342793342 /nfs/dbraw/zinc/79/33/42/342793342.db2.gz BCSYSQVTCKMBMK-ZDUSSCGKSA-N -1 0 230.267 1.448 50 0 BDAARM Cc1ccc(Cn2cc(C(=O)[O-])nn2)cc1 ZINC000009250491 342811326 /nfs/dbraw/zinc/81/13/26/342811326.db2.gz FGWWLHMRGSFBNQ-UHFFFAOYSA-N -1 0 217.228 1.333 50 0 BDAARM C[C@H](CN1C[C@H](C(=O)[O-])CC1=O)c1ccccc1 ZINC000008732555 342804100 /nfs/dbraw/zinc/80/41/00/342804100.db2.gz PLFKPSVQQAHHQS-ZYHUDNBSSA-N -1 0 247.294 1.723 50 0 BDAARM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)[O-] ZINC000008855828 342805403 /nfs/dbraw/zinc/80/54/03/342805403.db2.gz SDKITFWILHFYDO-UHFFFAOYSA-N -1 0 210.258 1.649 50 0 BDAARM O=C([O-])c1ccoc1I ZINC000143989608 361983616 /nfs/dbraw/zinc/98/36/16/361983616.db2.gz JNHIXEHYXXAQJP-UHFFFAOYSA-N -1 0 237.980 1.582 50 0 BDAARM Cc1c(C(=O)[O-])cnn1-c1ccccn1 ZINC000011850946 342843796 /nfs/dbraw/zinc/84/37/96/342843796.db2.gz CQEIZYGGTNLXOM-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000011891410 342844343 /nfs/dbraw/zinc/84/43/43/342844343.db2.gz UBUKOZDYHYWYOU-SNVBAGLBSA-N -1 0 234.255 1.018 50 0 BDAARM O=C([O-])[C@@](O)(c1ccccc1)C1CCC1 ZINC000012336849 342849281 /nfs/dbraw/zinc/84/92/81/342849281.db2.gz ZHGXYXVTCLJDSI-GFCCVEGCSA-N -1 0 206.241 1.759 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012343485 342849608 /nfs/dbraw/zinc/84/96/08/342849608.db2.gz MITBXWOAYZPGJN-QMMMGPOBSA-N -1 0 211.261 1.252 50 0 BDAARM Nc1cccc(Br)c1C(=O)[O-] ZINC000014985921 342890196 /nfs/dbraw/zinc/89/01/96/342890196.db2.gz BNQPROAXWQCNKO-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cccc(F)c1 ZINC000014988613 342890421 /nfs/dbraw/zinc/89/04/21/342890421.db2.gz XXXDXWRDUGDIRM-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM CSc1ncc(C(=O)[O-])c(Cl)n1 ZINC000016739539 342915111 /nfs/dbraw/zinc/91/51/11/342915111.db2.gz MYNMNRVNVCHWIT-UHFFFAOYSA-N -1 0 204.638 1.550 50 0 BDAARM O=C([O-])[C@H](Cc1c[nH]cn1)n1cccc1 ZINC000019255986 342944545 /nfs/dbraw/zinc/94/45/45/342944545.db2.gz XTGWWGRMXKSWQM-VIFPVBQESA-N -1 0 205.217 1.080 50 0 BDAARM O=C([O-])c1ccccc1NC=C[N+](=O)[O-] ZINC000019300651 342945317 /nfs/dbraw/zinc/94/53/17/342945317.db2.gz YWPFGPVRLBUCRW-AATRIKPKSA-N -1 0 208.173 1.545 50 0 in-vitro BDAARM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000019434964 342948664 /nfs/dbraw/zinc/94/86/64/342948664.db2.gz COHIMMPWCAHSFN-HTQZYQBOSA-N -1 0 245.275 1.095 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC000019433374 342948707 /nfs/dbraw/zinc/94/87/07/342948707.db2.gz FNTJZIVCYKAYBY-XUIVZRPNSA-N -1 0 249.266 1.759 50 0 BDAARM O=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000019518906 342950948 /nfs/dbraw/zinc/95/09/48/342950948.db2.gz DDVNOGMFQMGSFY-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM COc1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000019844315 342959275 /nfs/dbraw/zinc/95/92/75/342959275.db2.gz JCVMAHWBQFWHQM-UHFFFAOYSA-N -1 0 218.212 1.579 50 0 BDAARM COc1ccc(N2N=C(C(=O)[O-])CCC2=O)cc1 ZINC000005004331 536713565 /nfs/dbraw/zinc/71/35/65/536713565.db2.gz HKXAFHMZUUTDAL-UHFFFAOYSA-N -1 0 248.238 1.263 50 0 BDAARM CCc1ccc(-n2cc(C(=O)[O-])nn2)cc1 ZINC000020216570 342977591 /nfs/dbraw/zinc/97/75/91/342977591.db2.gz KNNPSTTVCDMPRR-UHFFFAOYSA-N -1 0 217.228 1.528 50 0 BDAARM O=C([O-])[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000020594140 342992204 /nfs/dbraw/zinc/99/22/04/342992204.db2.gz OAYHQYHXYCIVDZ-MRVPVSSYSA-N -1 0 227.166 1.542 50 0 BDAARM O=c1nc[n-]c2nc(NCc3ccco3)sc21 ZINC000021948956 343028712 /nfs/dbraw/zinc/02/87/12/343028712.db2.gz CFPPMUCGINJTJT-UHFFFAOYSA-N -1 0 248.267 1.585 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000021952680 343029686 /nfs/dbraw/zinc/02/96/86/343029686.db2.gz JYSSUXMJWSBYLQ-VIFPVBQESA-N -1 0 234.255 1.018 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC000022013836 343034880 /nfs/dbraw/zinc/03/48/80/343034880.db2.gz OHDFGIXTRBDGRB-MRVPVSSYSA-N -1 0 229.276 1.764 50 0 BDAARM O=C1[N-]C(=O)[C@@]2(CCc3ccccc32)O1 ZINC000029240042 343137006 /nfs/dbraw/zinc/13/70/06/343137006.db2.gz MTKSAHMQKUSQJR-NSHDSACASA-N -1 0 203.197 1.095 50 0 BDAARM COc1ccc([C@@H](O)[C@H](C)C(=O)[O-])cc1 ZINC000034410544 343270311 /nfs/dbraw/zinc/27/03/11/343270311.db2.gz YNFBEQICUMUBDQ-XVKPBYJWSA-N -1 0 210.229 1.449 50 0 BDAARM CC[C@@H](C(=O)[O-])c1cn2ccccc2n1 ZINC000034925174 343280557 /nfs/dbraw/zinc/28/05/57/343280557.db2.gz ZEABVCGXNXWYFG-MRVPVSSYSA-N -1 0 204.229 1.913 50 0 BDAARM O=C([O-])c1ccc2c(c1)nc1n2CCOC1 ZINC000034929254 343280788 /nfs/dbraw/zinc/28/07/88/343280788.db2.gz VEUKQBKQRRWAME-UHFFFAOYSA-N -1 0 218.212 1.265 50 0 BDAARM Cc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)s1 ZINC000036623616 343321523 /nfs/dbraw/zinc/32/15/23/343321523.db2.gz LOZJSRIYEKKEBN-XPUUQOCRSA-N -1 0 229.326 1.845 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccc(F)cc1C ZINC000037312334 343343209 /nfs/dbraw/zinc/34/32/09/343343209.db2.gz BRZBWXOMAALYFD-UHFFFAOYSA-N -1 0 249.245 1.975 50 0 BDAARM Cc1ccc(CC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000020285053 178520577 /nfs/dbraw/zinc/52/05/77/178520577.db2.gz UQEVEUMFUJMAOJ-VIFPVBQESA-N -1 0 221.256 1.127 50 0 BDAARM O=C([O-])c1cc(O)ccc1Br ZINC000039190705 343386789 /nfs/dbraw/zinc/38/67/89/343386789.db2.gz HTCSAMJZDHWTKD-UHFFFAOYSA-N -1 0 217.018 1.853 50 0 BDAARM O=S(=O)([O-])Cc1ccccc1Cl ZINC000039617109 343390872 /nfs/dbraw/zinc/39/08/72/343390872.db2.gz KDZUARBZBREZCI-UHFFFAOYSA-N -1 0 206.650 1.728 50 0 BDAARM Nc1cc(C(=O)[O-])c(Br)cn1 ZINC000039953661 343394076 /nfs/dbraw/zinc/39/40/76/343394076.db2.gz JJJKKHUIIDAXKW-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM O=C([O-])c1ccnc(OCC2CCOCC2)c1 ZINC000040447894 343403605 /nfs/dbraw/zinc/40/36/05/343403605.db2.gz VLIWXVRVXQXXLN-UHFFFAOYSA-N -1 0 237.255 1.585 50 0 BDAARM O=C([O-])c1ccnc(NCC2CCOCC2)c1 ZINC000042784063 343453709 /nfs/dbraw/zinc/45/37/09/343453709.db2.gz LBEICPACIGCTPA-UHFFFAOYSA-N -1 0 236.271 1.618 50 0 BDAARM Cc1c2ccccc2c(=O)[nH]c1C(=O)[O-] ZINC000039428106 343494762 /nfs/dbraw/zinc/49/47/62/343494762.db2.gz HVBVPBGZSDEXCY-UHFFFAOYSA-N -1 0 203.197 1.535 50 0 BDAARM O=C([O-])c1ccccc1CC1OCCO1 ZINC000043214133 343466007 /nfs/dbraw/zinc/46/60/07/343466007.db2.gz IIGRZABTBRLTRK-UHFFFAOYSA-N -1 0 208.213 1.300 50 0 BDAARM Nc1cc(O)c(Br)c(C(=O)[O-])c1 ZINC000204931305 537808258 /nfs/dbraw/zinc/80/82/58/537808258.db2.gz AUFLCCSPFRHACG-UHFFFAOYSA-N -1 0 232.033 1.435 50 0 BDAARM COc1ccc2nccc(C(=O)[O-])c2n1 ZINC000072233311 344518737 /nfs/dbraw/zinc/51/87/37/344518737.db2.gz PLMVZIBVXVPVSZ-UHFFFAOYSA-N -1 0 204.185 1.337 50 0 BDAARM Cc1nonc1[N-]S(=O)(=O)c1ccccc1 ZINC000000134635 344561275 /nfs/dbraw/zinc/56/12/75/344561275.db2.gz FVFOTNBFDFNFLF-UHFFFAOYSA-N -1 0 239.256 1.179 50 0 BDAARM Cc1c(C(=O)[O-])cnn1-c1nc(C)cc(C)n1 ZINC000011850948 345033242 /nfs/dbraw/zinc/03/32/42/345033242.db2.gz SVPCXDPRMORYSL-UHFFFAOYSA-N -1 0 232.243 1.286 50 0 BDAARM O=C([O-])Cc1ccnc(C(F)(F)F)c1F ZINC000238695639 345111711 /nfs/dbraw/zinc/11/17/11/345111711.db2.gz FRGRBUKTHIWINZ-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM Cc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)s1 ZINC000036623615 178877983 /nfs/dbraw/zinc/87/79/83/178877983.db2.gz LOZJSRIYEKKEBN-POYBYMJQSA-N -1 0 229.326 1.845 50 0 BDAARM CCc1cc(=O)[nH]c(NCc2ccncc2)n1 ZINC000005183591 345816172 /nfs/dbraw/zinc/81/61/72/345816172.db2.gz BWLIUMAWBWXWLQ-UHFFFAOYSA-N -1 0 230.271 1.339 50 0 BDAARM O=C([O-])C(=O)c1ccccc1C(F)(F)F ZINC000075865893 537931568 /nfs/dbraw/zinc/93/15/68/537931568.db2.gz DRTPFGVZOCBBSC-UHFFFAOYSA-N -1 0 218.130 1.973 50 0 BDAARM CCCCC[C@@H](C)NC(=O)N[C@H](C)C(=O)[O-] ZINC000005272037 346172664 /nfs/dbraw/zinc/17/26/64/346172664.db2.gz XCTWDYHJXMMTCO-RKDXNWHRSA-N -1 0 230.308 1.728 50 0 BDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)c1ccccc1 ZINC000002479714 346161766 /nfs/dbraw/zinc/16/17/66/346161766.db2.gz OBWQRHAIALRLKB-VIFPVBQESA-N -1 0 235.264 1.611 50 0 BDAARM Cc1cccc(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000003379333 179023195 /nfs/dbraw/zinc/02/31/95/179023195.db2.gz KPDBSQWRBLPDJF-MRVPVSSYSA-N -1 0 207.229 1.198 50 0 BDAARM Cc1cccc(C(=O)[O-])c1-n1cccn1 ZINC000040449004 179026042 /nfs/dbraw/zinc/02/60/42/179026042.db2.gz YXZWVSIXBFPESW-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM C[C@@H](CC(=O)[O-])N1CCc2ccccc21 ZINC000035750823 346332128 /nfs/dbraw/zinc/33/21/28/346332128.db2.gz UPZNECUMVLUHKW-VIFPVBQESA-N -1 0 205.257 1.912 50 0 BDAARM CSc1nnnn1-c1ccc(C(=O)[O-])cc1 ZINC000000536847 346417910 /nfs/dbraw/zinc/41/79/10/346417910.db2.gz RGLFMDVMQULYPX-UHFFFAOYSA-N -1 0 236.256 1.082 50 0 BDAARM Cc1cccc(Cn2cc(C(=O)[O-])cn2)c1 ZINC000012357807 179108878 /nfs/dbraw/zinc/10/88/78/179108878.db2.gz PBGWCCZEAHKYKB-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)NCc1cccs1 ZINC000004784848 346607233 /nfs/dbraw/zinc/60/72/33/346607233.db2.gz DCWLEDOGHWKETN-MRVPVSSYSA-N -1 0 241.312 1.865 50 0 BDAARM Cc1cccc2c(=O)c(C(=O)[O-])cn(C)c12 ZINC000001735137 179208481 /nfs/dbraw/zinc/20/84/81/179208481.db2.gz DUWPUOLXHAPRIG-UHFFFAOYSA-N -1 0 217.224 1.545 50 0 BDAARM O=S(=O)([N-]c1ccon1)c1ccc(F)cc1 ZINC000013947879 362819738 /nfs/dbraw/zinc/81/97/38/362819738.db2.gz VQQVGHQBLXPQGW-UHFFFAOYSA-N -1 0 242.231 1.615 50 0 BDAARM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CC(=O)[O-] ZINC000237371372 136750483 /nfs/dbraw/zinc/75/04/83/136750483.db2.gz RLAFDPNQCYDNGV-ZJUUUORDSA-N -1 0 243.303 1.125 50 0 BDAARM Cc1ccccc1CC(=O)NC1(C(=O)[O-])CCC1 ZINC000095967059 179257930 /nfs/dbraw/zinc/25/79/30/179257930.db2.gz VIENPDLYPGXWRG-UHFFFAOYSA-N -1 0 247.294 1.661 50 0 BDAARM Cc1ccccc1CCNC(=O)C1(C(=O)[O-])CC1 ZINC000094186640 179263663 /nfs/dbraw/zinc/26/36/63/179263663.db2.gz OWERQBCGSMOPSL-UHFFFAOYSA-N -1 0 247.294 1.519 50 0 BDAARM Cc1ccn(-c2ccccc2C(=O)[O-])n1 ZINC000019414061 179399925 /nfs/dbraw/zinc/39/99/25/179399925.db2.gz NWGNIDQETDJEDN-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1ccnn1Cc1ccc(C(=O)[O-])o1 ZINC000034925064 179500734 /nfs/dbraw/zinc/50/07/34/179500734.db2.gz CRJXXZUQPBLHRU-UHFFFAOYSA-N -1 0 206.201 1.531 50 0 BDAARM CC(=O)OC12C[C@@H]3C[C@H](C1)CC(C(=O)[O-])(C3)C2 ZINC000000163463 187407100 /nfs/dbraw/zinc/40/71/00/187407100.db2.gz CWYSSFRCRALTAK-ASZHBFLOSA-N -1 0 238.283 1.973 50 0 BDAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[O-] ZINC000000064906 187407437 /nfs/dbraw/zinc/40/74/37/187407437.db2.gz QZBDYCNMWXWQNV-LBPRGKRZSA-N -1 0 233.267 1.607 50 0 biogenic BDAARM CN(C)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000000087096 187407719 /nfs/dbraw/zinc/40/77/19/187407719.db2.gz JDMUIFKSGREXIE-VIFPVBQESA-N -1 0 248.282 1.190 50 0 BDAARM O=C([O-])C1(C(=O)NCc2ccc(F)cc2)CC1 ZINC000050290429 187436043 /nfs/dbraw/zinc/43/60/43/187436043.db2.gz NNJNTFWMJIQVIR-UHFFFAOYSA-N -1 0 237.230 1.307 50 0 BDAARM Cc1nc2sccc2c(NCc2nnn[n-]2)n1 ZINC000095384130 180020930 /nfs/dbraw/zinc/02/09/30/180020930.db2.gz XWLXRQWBDSENMK-UHFFFAOYSA-N -1 0 247.287 1.125 50 0 BDAARM O=C([O-])[C@@H]1Cc2cc(F)ccc2NC1=O ZINC000122237076 362949499 /nfs/dbraw/zinc/94/94/99/362949499.db2.gz DBHRUOWCJVLYQP-SSDOTTSWSA-N -1 0 209.176 1.021 50 0 BDAARM O=C([O-])c1cnc(NC(=O)C2CCCC2)o1 ZINC000725256282 538057117 /nfs/dbraw/zinc/05/71/17/538057117.db2.gz AOHZWFKVENNRTG-UHFFFAOYSA-N -1 0 224.216 1.502 50 0 BDAARM Cc1nc2n(CC(=O)[O-])c3ccccc3n2n1 ZINC000000266106 180108901 /nfs/dbraw/zinc/10/89/01/180108901.db2.gz UUTIVPVKMDKBRF-UHFFFAOYSA-N -1 0 230.227 1.077 50 0 BDAARM Cc1nc2ccccc2c(=O)n1CCCC(=O)[O-] ZINC000012946151 180100876 /nfs/dbraw/zinc/10/08/76/180100876.db2.gz NVRKSNBKTRDUCB-UHFFFAOYSA-N -1 0 246.266 1.570 50 0 BDAARM O=C([O-])[C@@H]1NC(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000040449251 350364853 /nfs/dbraw/zinc/36/48/53/350364853.db2.gz SZOMBCQXORQIFV-PSASIEDQSA-N -1 0 239.658 1.397 50 0 BDAARM Cc1nn(C(=O)CCC(=O)[O-])c2ccccc12 ZINC000006750000 180332781 /nfs/dbraw/zinc/33/27/81/180332781.db2.gz LMUYAUNRNMLOMY-UHFFFAOYSA-N -1 0 232.239 1.850 50 0 BDAARM CC(C)C[C@H](NC(=O)NC1CCCC1)C(=O)[O-] ZINC000000545036 191109054 /nfs/dbraw/zinc/10/90/54/191109054.db2.gz MMHFDPOBJWIMIH-JTQLQIEISA-N -1 0 242.319 1.728 50 0 biogenic BDAARM COC(=O)C=C([O-])c1ccc(OC)c(C)c1 ZINC000041239392 350600251 /nfs/dbraw/zinc/60/02/51/350600251.db2.gz BURVVVIOJHTDIX-UHFFFAOYSA-N -1 0 222.240 1.749 50 0 BDAARM COP([O-])(=NC(=O)Nc1ccccn1)OC ZINC000001778915 351365566 /nfs/dbraw/zinc/36/55/66/351365566.db2.gz CWINZAPCURFZEX-UHFFFAOYSA-N -1 0 245.175 1.604 50 0 BDAARM Cn1ncc2c1ncc(C(=O)[O-])c2Cl ZINC000034566241 180821016 /nfs/dbraw/zinc/82/10/16/180821016.db2.gz ORQOQCPMNZFHHO-UHFFFAOYSA-N -1 0 211.608 1.320 50 0 BDAARM O=C([O-])C(Cc1ccsc1)C(=O)[O-] ZINC000001701425 188100331 /nfs/dbraw/zinc/10/03/31/188100331.db2.gz LQVUCMGPQDQSTL-UHFFFAOYSA-N -1 0 200.215 1.076 50 0 BDAARM O=C([O-])/C=C/C(=O)NCCCc1ccccc1 ZINC000002757100 188101290 /nfs/dbraw/zinc/10/12/90/188101290.db2.gz UZMRICJRXBFDHL-CMDGGOBGSA-N -1 0 233.267 1.376 50 0 BDAARM COc1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004582648 188102350 /nfs/dbraw/zinc/10/23/50/188102350.db2.gz CCFLBHDPAUAJMZ-SREVYHEPSA-N -1 0 221.212 1.275 50 0 BDAARM C=CN1CCC(=C([O-])c2ccccn2)C1=O ZINC000006658256 188102576 /nfs/dbraw/zinc/10/25/76/188102576.db2.gz FTUJWCAOQARDID-SECBINFHSA-N -1 0 216.240 1.256 50 0 BDAARM Cc1ccc(CNC(=O)CCCC(=O)[O-])o1 ZINC000006206432 188103058 /nfs/dbraw/zinc/10/30/58/188103058.db2.gz AETFBBIKDIKGAW-UHFFFAOYSA-N -1 0 225.244 1.459 50 0 BDAARM Cc1cc2c(nc3[n-]c(NN)nnc2-3)c(C)c1 ZINC000006825639 188103177 /nfs/dbraw/zinc/10/31/77/188103177.db2.gz HSDMBJODORFRNX-UHFFFAOYSA-N -1 0 228.259 1.409 50 0 BDAARM Cc1cc(C(=O)[O-])nn1CC(F)(F)F ZINC000012395170 188105161 /nfs/dbraw/zinc/10/51/61/188105161.db2.gz BDDNKNXHWJARDP-UHFFFAOYSA-N -1 0 208.139 1.452 50 0 BDAARM COC(=O)C1=C([O-])c2c(C)n[nH]c2CC1(C)C ZINC000019339470 188107112 /nfs/dbraw/zinc/10/71/12/188107112.db2.gz LPUVPADPTBIFJS-SECBINFHSA-N -1 0 236.271 1.272 50 0 BDAARM CC1(C)C[C@H](O)c2c(cccc2C(=O)[O-])O1 ZINC000038867734 188110610 /nfs/dbraw/zinc/11/06/10/188110610.db2.gz YEFMXAXWEWYHNI-QMMMGPOBSA-N -1 0 222.240 1.979 50 0 BDAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000075287119 188115991 /nfs/dbraw/zinc/11/59/91/188115991.db2.gz PHFXABMKWYRDPN-QPJJXVBHSA-N -1 0 249.222 1.385 50 0 BDAARM CC(C)[C@H](C(=O)[O-])n1cc(Br)cn1 ZINC000038054199 188116772 /nfs/dbraw/zinc/11/67/72/188116772.db2.gz SBWOHMWHMRERJH-SSDOTTSWSA-N -1 0 247.092 1.927 50 0 BDAARM Cc1cc(C(=O)[O-])n(C2CCOCC2)n1 ZINC000082374520 188119433 /nfs/dbraw/zinc/11/94/33/188119433.db2.gz XIIASWIZJSTFQH-UHFFFAOYSA-N -1 0 210.233 1.241 50 0 BDAARM CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)[O-])C1 ZINC000042684290 188120852 /nfs/dbraw/zinc/12/08/52/188120852.db2.gz YGITYLFOIAYYJU-MRVPVSSYSA-N -1 0 245.275 1.097 50 0 BDAARM CC(C)(C)[C@H](NC(=O)C1CC=CC1)C(=O)[O-] ZINC000082865962 188122055 /nfs/dbraw/zinc/12/20/55/188122055.db2.gz NDNGILAHKUDFSW-SECBINFHSA-N -1 0 225.288 1.568 50 0 BDAARM COC(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000095080202 188145497 /nfs/dbraw/zinc/14/54/97/188145497.db2.gz OSJPAIKJBQLCSE-UHFFFAOYSA-N -1 0 210.185 1.180 50 0 BDAARM CCCn1cc(C([O-])=CC(=O)OC)cn1 ZINC000048623149 188124751 /nfs/dbraw/zinc/12/47/51/188124751.db2.gz GHBCJQJUHPJYEG-UHFFFAOYSA-N -1 0 210.233 1.039 50 0 BDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCc1ccncc1 ZINC000061721397 188128582 /nfs/dbraw/zinc/12/85/82/188128582.db2.gz YRNSPZWKVFXLAP-NXEZZACHSA-N -1 0 248.282 1.055 50 0 BDAARM CC(=O)N[C@H](C(=O)[O-])c1cc(C)ccc1C ZINC000077331762 188135910 /nfs/dbraw/zinc/13/59/10/188135910.db2.gz ZVTVZUHLTRIXTO-NSHDSACASA-N -1 0 221.256 1.565 50 0 BDAARM C/C(=C\C(=O)NCCCC(=O)[O-])C1CC1 ZINC000225466558 188155410 /nfs/dbraw/zinc/15/54/10/188155410.db2.gz ZYODSLWEVWORCQ-BQYQJAHWSA-N -1 0 211.261 1.324 50 0 BDAARM CC(C)C[C@H](NC(=O)NC(C)C)C(=O)[O-] ZINC000002406428 188159525 /nfs/dbraw/zinc/15/95/25/188159525.db2.gz CMROOTICCXFKRT-QMMMGPOBSA-N -1 0 216.281 1.193 50 0 BDAARM CNc1ncc(C(=O)[O-])cc1Br ZINC000095930216 188147592 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/nfs/dbraw/zinc/09/78/79/169097879.db2.gz RYAKVKATDZQYAM-UHFFFAOYSA-N -1 0 217.265 1.718 50 0 BDAARM S=c1[n-]nnn1C12CC3CC(CC(C3)C1)C2 ZINC000005816899 183316642 /nfs/dbraw/zinc/31/66/42/183316642.db2.gz IFZAAQJJFQHGIG-UHFFFAOYSA-N -1 0 236.344 1.887 50 0 BDAARM CCC[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000006769756 169346366 /nfs/dbraw/zinc/34/63/66/169346366.db2.gz RPDPHEZMQVNFNN-NSHDSACASA-N -1 0 233.267 1.896 50 0 BDAARM Cc1occc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000021956314 383821800 /nfs/dbraw/zinc/82/18/00/383821800.db2.gz DVYSPJHBLYQOFV-UHFFFAOYSA-N -1 0 237.255 1.525 50 0 BDAARM COc1ccccc1NC(=O)CCC(=O)[O-] ZINC000000064852 383822033 /nfs/dbraw/zinc/82/20/33/383822033.db2.gz PRKZZDBCWQJVMT-UHFFFAOYSA-N -1 0 223.228 1.499 50 0 biogenic BDAARM O=C([O-])CCC(=O)NCc1ccccc1 ZINC000000064861 383822217 /nfs/dbraw/zinc/82/22/17/383822217.db2.gz GFVMZKFJMYHDNM-UHFFFAOYSA-N -1 0 207.229 1.168 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1cccc(Cl)c1 ZINC000000053893 383822230 /nfs/dbraw/zinc/82/22/30/383822230.db2.gz VGCOUGYIWJRLKT-SNAWJCMRSA-N -1 0 225.631 1.919 50 0 BDAARM CN(C)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000087099 383823826 /nfs/dbraw/zinc/82/38/26/383823826.db2.gz JDMUIFKSGREXIE-SECBINFHSA-N -1 0 248.282 1.190 50 0 BDAARM Cc1ccc(OCC(=O)[O-])c2c1CCC2 ZINC000000083667 383824701 /nfs/dbraw/zinc/82/47/01/383824701.db2.gz MUNZZYNTGVVABF-UHFFFAOYSA-N -1 0 206.241 1.947 50 0 BDAARM O=C([O-])CC[P@@](=O)([O-])C[NH+]1CCCCC1 ZINC000000186024 383842753 /nfs/dbraw/zinc/84/27/53/383842753.db2.gz YSMXKACOTLCUTQ-UHFFFAOYSA-N -1 0 235.220 1.175 50 0 BDAARM O=C([O-])CN1CCN(Cc2ccccc2)C1=O ZINC000000257694 383847352 /nfs/dbraw/zinc/84/73/52/383847352.db2.gz MMORIWCAQRDZOJ-UHFFFAOYSA-N -1 0 234.255 1.009 50 0 BDAARM O=C([O-])CNC(=O)Cc1ccc2ccccc2c1 ZINC000000401323 383864546 /nfs/dbraw/zinc/86/45/46/383864546.db2.gz OVFGAKMCXOQNNP-UHFFFAOYSA-N -1 0 243.262 1.583 50 0 BDAARM O=C([O-])CCC(=O)NC1Cc2ccccc2C1 ZINC000000146589 383834076 /nfs/dbraw/zinc/83/40/76/383834076.db2.gz APNQLRCXXSXJHX-UHFFFAOYSA-N -1 0 233.267 1.135 50 0 BDAARM O=C([O-])C[C@@H](O)C(Cl)(Cl)Cl ZINC000001230353 383891855 /nfs/dbraw/zinc/89/18/55/383891855.db2.gz PNRIZWCHOZUISE-UWTATZPHSA-N -1 0 207.440 1.192 50 0 BDAARM CC[C@@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000000199155 383897276 /nfs/dbraw/zinc/89/72/76/383897276.db2.gz GBBQRRKJLRBERV-ZETCQYMHSA-N -1 0 242.300 1.973 50 0 BDAARM Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)s1 ZINC000036623617 383904481 /nfs/dbraw/zinc/90/44/81/383904481.db2.gz LOZJSRIYEKKEBN-HTRCEHHLSA-N -1 0 229.326 1.845 50 0 BDAARM Cc1noc(C)c1CSCC(=O)[O-] ZINC000002643730 383981068 /nfs/dbraw/zinc/98/10/68/383981068.db2.gz UFJHCGXCDQLCMZ-UHFFFAOYSA-N -1 0 201.247 1.609 50 0 BDAARM CCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000002741776 383985704 /nfs/dbraw/zinc/98/57/04/383985704.db2.gz PSXSDJFHXYJJFU-NXEZZACHSA-N -1 0 227.304 1.794 50 0 BDAARM CCOc1ccccc1NC(=O)/C=C/C(=O)[O-] ZINC000001794436 383935880 /nfs/dbraw/zinc/93/58/80/383935880.db2.gz BLCLJDWSZXZERU-BQYQJAHWSA-N -1 0 235.239 1.665 50 0 BDAARM O=C([O-])c1cccn(CC(F)(F)F)c1=O ZINC000068955028 384025279 /nfs/dbraw/zinc/02/52/79/384025279.db2.gz YPYGBJOFNDFVDU-UHFFFAOYSA-N -1 0 221.134 1.109 50 0 BDAARM O=[P@@]([O-])(O)Cc1c(F)cccc1F ZINC000114134423 384026344 /nfs/dbraw/zinc/02/63/44/384026344.db2.gz BNNGITGCJOYNHF-UHFFFAOYSA-N -1 0 208.100 1.643 50 0 BDAARM Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000004200687 384045227 /nfs/dbraw/zinc/04/52/27/384045227.db2.gz CEBJCUYZEOLQSC-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM Cc1cc([N-]S(=O)(=O)N2CCCCC2)no1 ZINC000004511344 384064796 /nfs/dbraw/zinc/06/47/96/384064796.db2.gz HJBUEKSTMOGIAX-UHFFFAOYSA-N -1 0 245.304 1.126 50 0 BDAARM Cc1ccc(NC(=O)/C=C\C(=O)[O-])cc1C ZINC000004582727 384069605 /nfs/dbraw/zinc/06/96/05/384069605.db2.gz BKCZXPVWUVICKC-WAYWQWQTSA-N -1 0 219.240 1.883 50 0 BDAARM CC(=O)c1ccc(NC(=O)C=CC(=O)[O-])cc1 ZINC000004579284 384070054 /nfs/dbraw/zinc/07/00/54/384070054.db2.gz CWSPWHGWDJSNIB-SREVYHEPSA-N -1 0 233.223 1.469 50 0 BDAARM CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000004787043 384081441 /nfs/dbraw/zinc/08/14/41/384081441.db2.gz WGMFHSADKZJPGR-DAXSKMNVSA-N -1 0 205.213 1.743 50 0 BDAARM Cc1ccc(Br)c(C(=O)[O-])n1 ZINC000039109828 384106218 /nfs/dbraw/zinc/10/62/18/384106218.db2.gz MXOLBWQGTJFFIL-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM O=C([O-])CCc1cncc(Br)c1 ZINC000039326021 384110269 /nfs/dbraw/zinc/11/02/69/384110269.db2.gz MZIRJKCDGHPTMM-UHFFFAOYSA-N -1 0 230.061 1.861 50 0 BDAARM CC(C)(C)OC(=O)NCCc1n[n-]c(=S)o1 ZINC000005817183 384133258 /nfs/dbraw/zinc/13/32/58/384133258.db2.gz ONHIHWYEQIHHOS-UHFFFAOYSA-N -1 0 245.304 1.799 50 0 BDAARM Cc1c(C(=O)[O-])cnn1CC1CCOCC1 ZINC000070706896 384133216 /nfs/dbraw/zinc/13/32/16/384133216.db2.gz JWRRBCDGUBJUFY-UHFFFAOYSA-N -1 0 224.260 1.316 50 0 BDAARM CS(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000005985535 384141190 /nfs/dbraw/zinc/14/11/90/384141190.db2.gz VDBDGGGGSWNSHK-UHFFFAOYSA-N -1 0 232.330 1.393 50 0 BDAARM C[C@]1(C(=O)[O-])CSC(c2ncccc2O)=N1 ZINC000006032145 384144063 /nfs/dbraw/zinc/14/40/63/384144063.db2.gz MJWAGSZZOQMRNY-SNVBAGLBSA-N -1 0 238.268 1.124 50 0 BDAARM O=C([O-])CCCn1sc2ccccc2c1=O ZINC000006583570 384157865 /nfs/dbraw/zinc/15/78/65/384157865.db2.gz XEAFJQMIKUQLNM-UHFFFAOYSA-N -1 0 237.280 1.928 50 0 BDAARM O=C([O-])c1cnc(Br)c(F)c1 ZINC000071773551 384178083 /nfs/dbraw/zinc/17/80/83/384178083.db2.gz YYLYQDSWERQSTR-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM Cc1ccc(S(=O)(=O)/C=C/C(=O)[O-])cc1 ZINC000004704587 384182131 /nfs/dbraw/zinc/18/21/31/384182131.db2.gz MXTRJSXCQMVPSG-VOTSOKGWSA-N -1 0 226.253 1.367 50 0 BDAARM Cc1cc(Br)ncc1C(=O)[O-] ZINC000072222947 384203083 /nfs/dbraw/zinc/20/30/83/384203083.db2.gz MOCUEPIHCCYSMT-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM Cn1cc(-c2cn3ccc(C(=O)[O-])cc3n2)cn1 ZINC000072266537 384203296 /nfs/dbraw/zinc/20/32/96/384203296.db2.gz SEJFRTMXMNSUDX-UHFFFAOYSA-N -1 0 242.238 1.433 50 0 BDAARM Cc1ccc(C(=O)[O-])c(OC[C@@H]2CCCO2)n1 ZINC000042784246 384244792 /nfs/dbraw/zinc/24/47/92/384244792.db2.gz LUBBBUOKBZZLOO-VIFPVBQESA-N -1 0 237.255 1.646 50 0 BDAARM CN(C)c1cccc(C(=O)CCC(=O)[O-])c1 ZINC000043214143 384265500 /nfs/dbraw/zinc/26/55/00/384265500.db2.gz DGHGYEGMYUUPKO-UHFFFAOYSA-N -1 0 221.256 1.800 50 0 BDAARM O=C([O-])c1ccc(Cl)cc1-n1cnnn1 ZINC000012389576 384315553 /nfs/dbraw/zinc/31/55/53/384315553.db2.gz WXHKEJFZXGUNJY-UHFFFAOYSA-N -1 0 224.607 1.014 50 0 BDAARM O=C([O-])CC[C@H]([NH2+]Cc1cccs1)C(=O)[O-] ZINC000000395938 384318975 /nfs/dbraw/zinc/31/89/75/384318975.db2.gz JIWPSAHWRZGJAP-QMMMGPOBSA-N -1 0 243.284 1.156 50 0 BDAARM Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)[O-] ZINC000012505406 384322941 /nfs/dbraw/zinc/32/29/41/384322941.db2.gz CHOKSHBZZXFTEE-POHAHGRESA-N -1 0 248.217 1.203 50 0 BDAARM Cc1ccoc1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000097018350 384285289 /nfs/dbraw/zinc/28/52/89/384285289.db2.gz OBPJLPSHWCIZKG-SECBINFHSA-N -1 0 237.255 1.571 50 0 BDAARM O=C([O-])CCNC(=O)c1ccc(F)cc1F ZINC000012504820 384321474 /nfs/dbraw/zinc/32/14/74/384321474.db2.gz SSYWEPJEANUKJE-UHFFFAOYSA-N -1 0 229.182 1.169 50 0 BDAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000097035522 384293919 /nfs/dbraw/zinc/29/39/19/384293919.db2.gz HPOGEWYZMLYXLG-VHSXEESVSA-N -1 0 223.272 1.108 50 0 BDAARM CC(C)[C@](C)(NC(=O)c1cccnc1)C(=O)[O-] ZINC000097036327 384294134 /nfs/dbraw/zinc/29/41/34/384294134.db2.gz OQQPUWXAPYXYNQ-LBPRGKRZSA-N -1 0 236.271 1.311 50 0 BDAARM O=C([O-])CCOc1ccc2c(c1)CCC(=O)N2 ZINC000012505890 384322021 /nfs/dbraw/zinc/32/20/21/384322021.db2.gz BVFFQLRKJBXBKK-UHFFFAOYSA-N -1 0 235.239 1.425 50 0 BDAARM O=C([O-])CCCOc1ccc(CO)cc1 ZINC000013568964 384364940 /nfs/dbraw/zinc/36/49/40/384364940.db2.gz RPOADSNMUHCDAL-UHFFFAOYSA-N -1 0 210.229 1.423 50 0 BDAARM C[C@@]1(NC(=O)c2ccc(C(=O)[O-])cc2)CCOC1 ZINC000164865605 384327050 /nfs/dbraw/zinc/32/70/50/384327050.db2.gz YMADMHKAPGYWJT-CYBMUJFWSA-N -1 0 249.266 1.294 50 0 BDAARM Cc1cc(C)c(C(=O)N(CC(=O)[O-])C2CC2)o1 ZINC000237801592 384392393 /nfs/dbraw/zinc/39/23/93/384392393.db2.gz ANGJYEUTZIOIGP-UHFFFAOYSA-N -1 0 237.255 1.586 50 0 BDAARM COC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000096034572 384426696 /nfs/dbraw/zinc/42/66/96/384426696.db2.gz WMRCVFGWAKNFMD-UHFFFAOYSA-N -1 0 200.234 1.585 50 0 BDAARM CC(C)(NC(=O)CCc1ccccc1)C(=O)[O-] ZINC000039135730 384457466 /nfs/dbraw/zinc/45/74/66/384457466.db2.gz ZLIKXSJUWQYAIZ-UHFFFAOYSA-N -1 0 235.283 1.599 50 0 BDAARM O=C([O-])CC1(n2cccc2)CCOCC1 ZINC000096232276 384446324 /nfs/dbraw/zinc/44/63/24/384446324.db2.gz KNKTXOMYUPBRLF-UHFFFAOYSA-N -1 0 209.245 1.469 50 0 BDAARM Cn1ccnc1-c1ccc(C(=O)[O-])s1 ZINC000016124582 384454184 /nfs/dbraw/zinc/45/41/84/384454184.db2.gz UWNFKEZTYZOKNU-UHFFFAOYSA-N -1 0 208.242 1.847 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)C=C(C)C ZINC000097018180 384497873 /nfs/dbraw/zinc/49/78/73/384497873.db2.gz JQSPLYCHINZOQR-LLVKDONJSA-N -1 0 213.277 1.712 50 0 BDAARM O=C([O-])CNC(=O)CCn1ccc2ccccc21 ZINC000040309094 384510720 /nfs/dbraw/zinc/51/07/20/384510720.db2.gz AMELWCZULCMKGL-UHFFFAOYSA-N -1 0 246.266 1.232 50 0 biogenic BDAARM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)[O-] ZINC000097048985 384491433 /nfs/dbraw/zinc/49/14/33/384491433.db2.gz PQBDONMJJFRKOE-ZETCQYMHSA-N -1 0 233.264 1.001 50 0 BDAARM O=C([O-])C1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000019396677 384520106 /nfs/dbraw/zinc/52/01/06/384520106.db2.gz XWPJFXVGCLQFTN-UHFFFAOYSA-N -1 0 249.266 1.329 50 0 BDAARM Cc1ocnc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000097035593 384560208 /nfs/dbraw/zinc/56/02/08/384560208.db2.gz DESZJSROPDLORY-UHFFFAOYSA-N -1 0 240.259 1.308 50 0 BDAARM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1C1CC1 ZINC000097035613 384561446 /nfs/dbraw/zinc/56/14/46/384561446.db2.gz WYGIVIKVGZISCX-QWRGUYRKSA-N -1 0 239.315 1.744 50 0 BDAARM O=C([O-])CCS(=O)(=O)c1cccc(Cl)c1 ZINC000020223315 384603321 /nfs/dbraw/zinc/60/33/21/384603321.db2.gz NOSDSIVGOIKVAP-UHFFFAOYSA-N -1 0 248.687 1.588 50 0 BDAARM CNC(=O)c1cccc(CCC(=O)[O-])c1 ZINC000082162693 384647104 /nfs/dbraw/zinc/64/71/04/384647104.db2.gz OTTMQJVEIBWIRH-UHFFFAOYSA-N -1 0 207.229 1.063 50 0 BDAARM C[C@H](NC(=O)Nc1ccccc1F)C(=O)[O-] ZINC000005186399 384662724 /nfs/dbraw/zinc/66/27/24/384662724.db2.gz PVVVHBHWSVNGFZ-LURJTMIESA-N -1 0 226.207 1.420 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCc1ccncc1 ZINC000061721399 384689152 /nfs/dbraw/zinc/68/91/52/384689152.db2.gz YRNSPZWKVFXLAP-ZJUUUORDSA-N -1 0 248.282 1.055 50 0 BDAARM CC(C)[C@H](NC(=O)C(F)(F)C(F)F)C(=O)[O-] ZINC000178283040 384748954 /nfs/dbraw/zinc/74/89/54/384748954.db2.gz SIEKGVVZRXDZED-BYPYZUCNSA-N -1 0 245.172 1.112 50 0 BDAARM CC[C@@H](CO)NC(=O)c1ccc(F)cc1[O-] ZINC000188274230 384871514 /nfs/dbraw/zinc/87/15/14/384871514.db2.gz FLQXJBARIXASLJ-QMMMGPOBSA-N -1 0 227.235 1.032 50 0 BDAARM O=C([O-])CSc1ncc(Cl)cn1 ZINC000026441018 384872872 /nfs/dbraw/zinc/87/28/72/384872872.db2.gz OVPWHZMGKSVTOT-UHFFFAOYSA-N -1 0 204.638 1.307 50 0 BDAARM Cc1ccc2c(c1)C[C@@H](C(=O)[O-])CC2=O ZINC000084248905 384853485 /nfs/dbraw/zinc/85/34/85/384853485.db2.gz DQANNWAXNIEKIL-SECBINFHSA-N -1 0 204.225 1.825 50 0 BDAARM O=C([O-])[C@@H](O)c1cccc(OC(F)(F)F)c1 ZINC000084379445 384862941 /nfs/dbraw/zinc/86/29/41/384862941.db2.gz CANNFMISEMEBIT-ZETCQYMHSA-N -1 0 236.145 1.703 50 0 BDAARM O=C([O-])c1c(F)cccc1-n1cccn1 ZINC000086477848 385020311 /nfs/dbraw/zinc/02/03/11/385020311.db2.gz RQYZHVNALVGILY-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM O=C([O-])/C=C/c1ccc(C2OCCO2)o1 ZINC000407985664 385111932 /nfs/dbraw/zinc/11/19/32/385111932.db2.gz GZFQHYWZHYICQS-DUXPYHPUSA-N -1 0 210.185 1.423 50 0 BDAARM O=C([O-])CCNC(=O)c1cc2c(s1)CCC2 ZINC000019403679 385214869 /nfs/dbraw/zinc/21/48/69/385214869.db2.gz CVQOXGHONAHOAT-UHFFFAOYSA-N -1 0 239.296 1.441 50 0 BDAARM O=C([O-])CC[C@@]12CCCC[C@@]1(O)OC(=O)CC2 ZINC000000518857 385397060 /nfs/dbraw/zinc/39/70/60/385397060.db2.gz IIYRECQWHLPTMB-VXGBXAGGSA-N -1 0 242.271 1.437 50 0 biogenic BDAARM Nc1ccc(C(=O)[O-])cc1-n1ccnc1 ZINC000169064532 385404844 /nfs/dbraw/zinc/40/48/44/385404844.db2.gz UEUQKAJBUGLUNI-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM CN1C(=O)CC[C@]2(C(=O)[O-])CCCC=C12 ZINC000169676678 385417486 /nfs/dbraw/zinc/41/74/86/385417486.db2.gz QIIPYAGAFHZQRS-LLVKDONJSA-N -1 0 209.245 1.377 50 0 BDAARM CC[C@@H](NC(=O)/C=C\C(=O)[O-])c1ccccc1 ZINC000006005611 385645766 /nfs/dbraw/zinc/64/57/66/385645766.db2.gz BAEZIAZBAGGVTC-TYBABMIJSA-N -1 0 233.267 1.895 50 0 BDAARM CCCc1nnnn1Cc1ccc(C(=O)[O-])cc1 ZINC000062468975 385773815 /nfs/dbraw/zinc/77/38/15/385773815.db2.gz ZNRSWEAOWAWTIT-UHFFFAOYSA-N -1 0 246.270 1.372 50 0 BDAARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1F ZINC000000065917 386129789 /nfs/dbraw/zinc/12/97/89/386129789.db2.gz NJRMXOUAQVCPMM-SNAWJCMRSA-N -1 0 223.203 1.713 50 0 BDAARM C[C@@H](NC(=O)c1cccn1C1CC1)C(=O)[O-] ZINC000036856269 386535595 /nfs/dbraw/zinc/53/55/95/386535595.db2.gz ULIURORRIMXWDC-SSDOTTSWSA-N -1 0 222.244 1.026 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H]2C2CC2)C1 ZINC000329201923 386927334 /nfs/dbraw/zinc/92/73/34/386927334.db2.gz CCHXZLYGIXMYLU-KWBADKCTSA-N -1 0 237.299 1.356 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000211848315 387016982 /nfs/dbraw/zinc/01/69/82/387016982.db2.gz DRQHCLGJNMXFGK-PELKAZGASA-N -1 0 241.287 1.861 50 0 BDAARM Cc1cc(C)c(S(=O)(=O)[O-])c(C)n1 ZINC000006485561 387366700 /nfs/dbraw/zinc/36/67/00/387366700.db2.gz YFTHYBONGWTVCK-UHFFFAOYSA-N -1 0 201.247 1.254 50 0 BDAARM COc1cc(C(=O)[O-])cc(N)c1Cl ZINC000575715571 387431051 /nfs/dbraw/zinc/43/10/51/387431051.db2.gz KGIVZIKNNBYSJP-UHFFFAOYSA-N -1 0 201.609 1.629 50 0 BDAARM O=C([O-])CCC(=O)Nc1c(F)cccc1F ZINC000035122492 387444195 /nfs/dbraw/zinc/44/41/95/387444195.db2.gz KDCXZLAJPWEMGO-UHFFFAOYSA-N -1 0 229.182 1.768 50 0 BDAARM CSCC[C@@H](NC(=O)C1CC=CC1)C(=O)[O-] ZINC000082865919 387391972 /nfs/dbraw/zinc/39/19/72/387391972.db2.gz MKPMARWSLBSHGS-SECBINFHSA-N -1 0 243.328 1.275 50 0 BDAARM CC/C=C(/C)C(=O)N[C@H](C)CCC(=O)[O-] ZINC000069837804 387716117 /nfs/dbraw/zinc/71/61/17/387716117.db2.gz GYZBOGUABGXMHC-BZJXQOFCSA-N -1 0 213.277 1.712 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(O)cc1 ZINC000071288835 388276336 /nfs/dbraw/zinc/27/63/36/388276336.db2.gz JWXIYPMKGVLRTJ-ZJUUUORDSA-N -1 0 249.266 1.688 50 0 BDAARM O=C([O-])CSc1nnc(C2CC2)n1C1CC1 ZINC000009337482 388430113 /nfs/dbraw/zinc/43/01/13/388430113.db2.gz CPTDFNTZPGIGAD-UHFFFAOYSA-N -1 0 239.300 1.667 50 0 BDAARM C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000111754261 388662223 /nfs/dbraw/zinc/66/22/23/388662223.db2.gz FNTNSZPLICLPHV-DVVUODLYSA-N -1 0 233.267 1.585 50 0 BDAARM CCc1ccc(CC(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000095969802 388795519 /nfs/dbraw/zinc/79/55/19/388795519.db2.gz MUUATPYLSZKMCA-UHFFFAOYSA-N -1 0 249.310 1.771 50 0 BDAARM CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1ccccc1 ZINC000097018037 169725691 /nfs/dbraw/zinc/72/56/91/169725691.db2.gz SMZFVJLOVZDONS-LLVKDONJSA-N -1 0 249.310 1.798 50 0 BDAARM C[C@@H](C(=O)[O-])N1c2ccccc2O[C@H](C)C1=O ZINC000000225008 132313157 /nfs/dbraw/zinc/31/31/57/132313157.db2.gz TYKNSYRLVRTNBF-JGVFFNPUSA-N -1 0 235.239 1.274 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1N1CCCCC1 ZINC000000319715 132313387 /nfs/dbraw/zinc/31/33/87/132313387.db2.gz DFGNBCGBUAHIPC-UHFFFAOYSA-N -1 0 220.272 1.957 50 0 BDAARM Cc1c[nH]cc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000263036394 135328638 /nfs/dbraw/zinc/32/86/38/135328638.db2.gz ZGIIGLKGTKVGRF-WCBMZHEXSA-N -1 0 236.271 1.306 50 0 BDAARM C[C@]1(C(=O)N2CCC[C@@H]2CC(=O)[O-])CC1(F)F ZINC000263216780 135339861 /nfs/dbraw/zinc/33/98/61/135339861.db2.gz OFXFOHQEIMEQMB-GMSGAONNSA-N -1 0 247.241 1.497 50 0 BDAARM C[C@@]1(C(=O)N2CCC[C@H]2CC(=O)[O-])CC1(F)F ZINC000263216785 135339997 /nfs/dbraw/zinc/33/99/97/135339997.db2.gz OFXFOHQEIMEQMB-XVKPBYJWSA-N -1 0 247.241 1.497 50 0 BDAARM CC[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000263417045 135352644 /nfs/dbraw/zinc/35/26/44/135352644.db2.gz OEVTVIADAFZWCY-SECBINFHSA-N -1 0 248.282 1.652 50 0 BDAARM CC(=O)N(C)c1ccc(CC(=O)[O-])cc1 ZINC000020227104 397929794 /nfs/dbraw/zinc/92/97/94/397929794.db2.gz LRULHWAZAYOPOB-UHFFFAOYSA-N -1 0 207.229 1.296 50 0 BDAARM O=C([O-])CCCC(=O)c1ccc2c(c1)OCO2 ZINC000004268803 397922110 /nfs/dbraw/zinc/92/21/10/397922110.db2.gz IFIGQTZWMXLWRC-UHFFFAOYSA-N -1 0 236.223 1.853 50 0 BDAARM Cc1ccc(O)c(NC(=O)CCCC(=O)[O-])c1 ZINC000004272464 397922253 /nfs/dbraw/zinc/92/22/53/397922253.db2.gz MSEZOHYHAZFLDV-UHFFFAOYSA-N -1 0 237.255 1.894 50 0 BDAARM CC(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000022699177 167319634 /nfs/dbraw/zinc/31/96/34/167319634.db2.gz DNYIDVSDKGJLEJ-UHFFFAOYSA-N -1 0 242.296 1.496 50 0 BDAARM CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000016696805 409659850 /nfs/dbraw/zinc/65/98/50/409659850.db2.gz HZTADRWBVNKKSJ-VIFPVBQESA-N -1 0 211.192 1.088 50 0 BDAARM CC1(C)[C@H](C(=O)N2CCCCC2)[C@@H]1C(=O)[O-] ZINC000034926382 409788129 /nfs/dbraw/zinc/78/81/29/409788129.db2.gz HSPXOWOCHHGYFT-DTWKUNHWSA-N -1 0 225.288 1.356 50 0 BDAARM CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000085006601 166551367 /nfs/dbraw/zinc/55/13/67/166551367.db2.gz VLTRJMSKMBVFEC-BDAKNGLRSA-N -1 0 227.304 1.792 50 0 BDAARM CC(C)(C)CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000040495111 166587978 /nfs/dbraw/zinc/58/79/78/166587978.db2.gz AFISCLUAPGDWAC-UHFFFAOYSA-N -1 0 236.271 1.556 50 0 BDAARM CC(C)(C)OC(=O)[N-]C1=NC(=O)CS1 ZINC000039123752 166659721 /nfs/dbraw/zinc/65/97/21/166659721.db2.gz VWXXXOWXBIHOHV-UHFFFAOYSA-N -1 0 216.262 1.141 50 0 BDAARM CC(C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013448378 166712062 /nfs/dbraw/zinc/71/20/62/166712062.db2.gz GHPLNVWOVSAKMB-UHFFFAOYSA-N -1 0 233.267 1.930 50 0 BDAARM CC(C)CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054302374 166988212 /nfs/dbraw/zinc/98/82/12/166988212.db2.gz UZOMUKSOSWQWPO-SNVBAGLBSA-N -1 0 242.319 1.539 50 0 BDAARM CC(C)NC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000013129929 167084975 /nfs/dbraw/zinc/08/49/75/167084975.db2.gz NDBCQYVVMLIKRI-UHFFFAOYSA-N -1 0 246.266 1.372 50 0 aggregator BDAARM CC(C)S(=O)(=O)c1csc(C(=O)[O-])c1N ZINC000000096320 167320627 /nfs/dbraw/zinc/32/06/27/167320627.db2.gz SZJXLQQZOLCMMN-UHFFFAOYSA-N -1 0 249.313 1.211 50 0 BDAARM CC(C)Sc1nc(O)c(CC(=O)[O-])s1 ZINC000034927046 167320581 /nfs/dbraw/zinc/32/05/81/167320581.db2.gz LHXKFCDPAQNFAP-YFKPBYRVSA-N -1 0 233.314 1.601 50 0 BDAARM CC(C)[C@@H](C(=O)[O-])S(=O)(=O)C1CCCCC1 ZINC000037684744 167346871 /nfs/dbraw/zinc/34/68/71/167346871.db2.gz RZCUHVRKXPGBBB-JTQLQIEISA-N -1 0 248.344 1.843 50 0 BDAARM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2 ZINC000001673035 168003745 /nfs/dbraw/zinc/00/37/45/168003745.db2.gz MIOPJNTWMNEORI-GMSGAONNSA-N -1 0 232.301 1.270 50 0 in-vitro BDAARM CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1 ZINC000000407596 168080477 /nfs/dbraw/zinc/08/04/77/168080477.db2.gz RJPIEFIYDRBNFF-JTQLQIEISA-N -1 0 232.239 1.399 50 0 BDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=O ZINC000018217741 168134977 /nfs/dbraw/zinc/13/49/77/168134977.db2.gz LVJPTEOXAACFFI-SECBINFHSA-N -1 0 203.201 1.544 50 0 BDAARM CCC(=O)Nc1nn2c([n-]1)nc(C(C)C)cc2=O ZINC000010013897 168247789 /nfs/dbraw/zinc/24/77/89/168247789.db2.gz DZPKAXQVQZCOFW-UHFFFAOYSA-N -1 0 249.274 1.302 50 0 BDAARM CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005650631 170256818 /nfs/dbraw/zinc/25/68/18/170256818.db2.gz XGRJGTBLDJAHTL-JGVFFNPUSA-N -1 0 200.234 1.441 50 0 BDAARM CCOC(=O)C1=C([O-])c2ccccc2NC1 ZINC000000040659 170259765 /nfs/dbraw/zinc/25/97/65/170259765.db2.gz MVJOPRHICXQNLB-SECBINFHSA-N -1 0 219.240 1.474 50 0 BDAARM CCOC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005650667 170280137 /nfs/dbraw/zinc/28/01/37/170280137.db2.gz XGRJGTBLDJAHTL-YUMQZZPRSA-N -1 0 200.234 1.441 50 0 BDAARM CCS(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000006706820 170621327 /nfs/dbraw/zinc/62/13/27/170621327.db2.gz YWXPWXXQJKVIPK-UHFFFAOYSA-N -1 0 249.361 1.597 50 0 BDAARM CC[C@H](C(=O)[O-])n1cnc2ccccc2c1=O ZINC000004137217 171238260 /nfs/dbraw/zinc/23/82/60/171238260.db2.gz CVIZXZUKXBPCJK-SNVBAGLBSA-N -1 0 232.239 1.432 50 0 BDAARM CC[C@H](C(=O)[O-])n1cc(Br)cn1 ZINC000002535194 171238510 /nfs/dbraw/zinc/23/85/10/171238510.db2.gz YEHBONHWZVDARH-ZCFIWIBFSA-N -1 0 233.065 1.681 50 0 BDAARM CC[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000010120475 171333709 /nfs/dbraw/zinc/33/37/09/171333709.db2.gz WMPANUWJMFSCAC-AEJSXWLSSA-N -1 0 227.304 1.792 50 0 BDAARM CCc1onc(C(=O)[O-])c1Cc1c(C)n[nH]c1C ZINC000009355846 172124556 /nfs/dbraw/zinc/12/45/56/172124556.db2.gz YJEDAUMNUZMIPT-UHFFFAOYSA-N -1 0 249.270 1.866 50 0 BDAARM CCn1c2ccccc2nc(C(=O)[O-])c1=O ZINC000021777187 172131682 /nfs/dbraw/zinc/13/16/82/172131682.db2.gz VZLHCCJAJQJFKI-UHFFFAOYSA-N -1 0 218.212 1.115 50 0 BDAARM CCn1c(=O)[nH]c2cc(C(=O)[O-])ccc21 ZINC000019843491 172132519 /nfs/dbraw/zinc/13/25/19/172132519.db2.gz JGHIRRNBELFNCN-UHFFFAOYSA-N -1 0 206.201 1.048 50 0 BDAARM CCn1c(C)nc2cc(C(=O)[O-])cnc21 ZINC000040449316 172137881 /nfs/dbraw/zinc/13/78/81/172137881.db2.gz DGQMNWPUOXHUBL-UHFFFAOYSA-N -1 0 205.217 1.458 50 0 BDAARM CCn1cc(-c2nn(C)cc2C(=O)[O-])cn1 ZINC000044496271 172149909 /nfs/dbraw/zinc/14/99/09/172149909.db2.gz PCZWTTTUVMUXPV-UHFFFAOYSA-N -1 0 220.232 1.002 50 0 BDAARM CCn1cc(C[N-]C(=O)C(F)(F)F)c(C)n1 ZINC000002764119 172166891 /nfs/dbraw/zinc/16/68/91/172166891.db2.gz BFXCPYONNIQIJS-UHFFFAOYSA-N -1 0 235.209 1.390 50 0 BDAARM CCn1ncc(-c2cc(C(=O)[O-])no2)c1C ZINC000002538054 172251648 /nfs/dbraw/zinc/25/16/48/172251648.db2.gz ICZFVKOUEQVVPE-UHFFFAOYSA-N -1 0 221.216 1.565 50 0 BDAARM CN(C(=O)CCC(=O)[O-])c1ccccc1 ZINC000001603041 172303200 /nfs/dbraw/zinc/30/32/00/172303200.db2.gz ZBTZGOKOGQVOPH-UHFFFAOYSA-N -1 0 207.229 1.514 50 0 BDAARM CN(C)C(=O)CSc1ccccc1C(=O)[O-] ZINC000004206333 172374684 /nfs/dbraw/zinc/37/46/84/172374684.db2.gz WPIPCKHWNNIFGO-UHFFFAOYSA-N -1 0 239.296 1.565 50 0 BDAARM CN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000013718800 172960997 /nfs/dbraw/zinc/96/09/97/172960997.db2.gz AHVBATBBFVYBGJ-PWSUYJOCSA-N -1 0 233.267 1.681 50 0 biogenic BDAARM COC(=O)c1cc(=O)c2ccc(Cl)cc2[n-]1 ZINC000004353363 173848906 /nfs/dbraw/zinc/84/89/06/173848906.db2.gz QHPKUXTUEVUQAZ-UHFFFAOYSA-N -1 0 237.642 1.968 50 0 BDAARM COCCOCc1ccc(C(=O)[O-])cc1 ZINC000019434146 174364157 /nfs/dbraw/zinc/36/41/57/174364157.db2.gz UMFSVBVRJBMMBM-UHFFFAOYSA-N -1 0 210.229 1.548 50 0 BDAARM COc1cc(CC(=O)[O-])cc(OC)c1OC ZINC000000039237 174977884 /nfs/dbraw/zinc/97/78/84/174977884.db2.gz DDSJXCGGOXKGSJ-UHFFFAOYSA-N -1 0 226.228 1.340 50 0 in-vitro BDAARM COc1cc(NC(C)=O)c(C(=O)[O-])cc1OC ZINC000002656580 175001146 /nfs/dbraw/zinc/00/11/46/175001146.db2.gz GFIPYKUNLSFXTQ-UHFFFAOYSA-N -1 0 239.227 1.360 50 0 BDAARM COc1cc2c(O)c(C(=O)[O-])cnc2cc1F ZINC000038877830 175018619 /nfs/dbraw/zinc/01/86/19/175018619.db2.gz CKIFZMDHCWPBKW-UHFFFAOYSA-N -1 0 237.186 1.374 50 0 BDAARM COc1ccc(-c2n[nH]cc2C(=O)[O-])cc1 ZINC000008700062 175029096 /nfs/dbraw/zinc/02/90/96/175029096.db2.gz YNHHGNUVCCLFDC-UHFFFAOYSA-N -1 0 218.212 1.784 50 0 BDAARM COc1ccc(-c2noc(C(=O)[O-])n2)cc1 ZINC000020096255 175042412 /nfs/dbraw/zinc/04/24/12/175042412.db2.gz PJXDDLKAAJGMPP-UHFFFAOYSA-N -1 0 220.184 1.443 50 0 BDAARM COc1ccc(CC(=O)[O-])cc1Cl ZINC000003750728 175087597 /nfs/dbraw/zinc/08/75/97/175087597.db2.gz OARWXDXELDVNOC-UHFFFAOYSA-N -1 0 200.621 1.976 50 0 BDAARM COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000037517403 175104809 /nfs/dbraw/zinc/10/48/09/175104809.db2.gz FNGYZRSNAHPDCP-MNOVXSKESA-N -1 0 249.266 1.032 50 0 BDAARM COc1ccc(N2CC[C@H](C(=O)[O-])C2=O)cc1 ZINC000002520434 175139801 /nfs/dbraw/zinc/13/98/01/175139801.db2.gz AIMIQQQEWMWGNW-JTQLQIEISA-N -1 0 235.239 1.133 50 0 BDAARM COc1ccc(OC)c2c(=O)cc(C(=O)[O-])[nH]c12 ZINC000008581036 175170070 /nfs/dbraw/zinc/17/00/70/175170070.db2.gz XSOWVTSDTRMVPW-UHFFFAOYSA-N -1 0 249.222 1.244 50 0 BDAARM COc1ccc([C@H](O)CCC(=O)[O-])cc1 ZINC000000395691 175193289 /nfs/dbraw/zinc/19/32/89/175193289.db2.gz SRVHFMOPFVVMSB-SNVBAGLBSA-N -1 0 210.229 1.593 50 0 BDAARM COc1ccc2c(c1)[C@@H](CC(=O)[O-])CC2=O ZINC000000056558 175213937 /nfs/dbraw/zinc/21/39/37/175213937.db2.gz QOTZOFGBBCMWEP-SSDOTTSWSA-N -1 0 220.224 1.840 50 0 biogenic BDAARM COc1cccc(-n2cn[n-]c2=S)c1 ZINC000013133482 175239814 /nfs/dbraw/zinc/23/98/14/175239814.db2.gz KJCDYSNOKGTAPY-UHFFFAOYSA-N -1 0 207.258 1.938 50 0 BDAARM COc1cccc(Cl)c1[C@H]1OC(=O)[N-]C1=O ZINC000027865638 175273460 /nfs/dbraw/zinc/27/34/60/175273460.db2.gz CUMROJNWXHIHIV-MRVPVSSYSA-N -1 0 241.630 1.656 50 0 BDAARM COc1cccc(N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000020357896 175275062 /nfs/dbraw/zinc/27/50/62/175275062.db2.gz GEFRORDDQSAJJS-SECBINFHSA-N -1 0 221.256 1.606 50 0 BDAARM COc1cccc2c1C[C@@H](C(=O)[O-])CO2 ZINC000038271779 175303387 /nfs/dbraw/zinc/30/33/87/175303387.db2.gz XMGAJGALUQJCQE-SSDOTTSWSA-N -1 0 208.213 1.331 50 0 BDAARM COc1ccccc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588387 175316373 /nfs/dbraw/zinc/31/63/73/175316373.db2.gz BAPDLHVLZAHXLD-UHFFFAOYSA-N -1 0 249.266 1.384 50 0 BDAARM COc1ccccc1C[C@H](OC)C(=O)[O-] ZINC000072323957 175333951 /nfs/dbraw/zinc/33/39/51/175333951.db2.gz MKLYBLYBETWWRI-JTQLQIEISA-N -1 0 210.229 1.337 50 0 biogenic BDAARM CS(=O)(=O)c1ccc2[nH]c(C(=O)[O-])cc2c1 ZINC000019738623 175438818 /nfs/dbraw/zinc/43/88/18/175438818.db2.gz OMDMAZNVKWBUDD-UHFFFAOYSA-N -1 0 239.252 1.270 50 0 BDAARM C[C@@H](C(=O)[O-])n1cnc2ccccc2c1=O ZINC000000253688 175628329 /nfs/dbraw/zinc/62/83/29/175628329.db2.gz AOIOGRLXASIYJK-ZETCQYMHSA-N -1 0 218.212 1.042 50 0 biogenic BDAARM C[C@@H](CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000011968210 175644888 /nfs/dbraw/zinc/64/48/88/175644888.db2.gz VKSJLNGCOQANCQ-ZETCQYMHSA-N -1 0 246.259 1.463 50 0 BDAARM O=C([O-])c1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000082453237 487631819 /nfs/dbraw/zinc/63/18/19/487631819.db2.gz GCAKKYPDSDVHKB-ZETCQYMHSA-N -1 0 243.646 1.601 50 0 BDAARM C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000004519980 176004804 /nfs/dbraw/zinc/00/48/04/176004804.db2.gz FXTIYEKZZYPBFW-ZCFIWIBFSA-N -1 0 210.185 1.267 50 0 BDAARM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCOCC1 ZINC000000800685 176013018 /nfs/dbraw/zinc/01/30/18/176013018.db2.gz UNORHGWUEXZZQU-QMMMGPOBSA-N -1 0 225.244 1.371 50 0 BDAARM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)[O-])CC1=O ZINC000000128960 176022276 /nfs/dbraw/zinc/02/22/76/176022276.db2.gz CFGKWSDAMXTRHE-ONGXEEELSA-N -1 0 233.267 1.681 50 0 BDAARM C[C@@H](c1ccccc1)[C@@H]1[NH2+][C@H](C(=O)[O-])CS1 ZINC000003913332 176022694 /nfs/dbraw/zinc/02/26/94/176022694.db2.gz XTLKRSWKWLNJDS-INTQDDNPSA-N -1 0 237.324 1.906 50 0 BDAARM C[C@@H]1CC/C(=C\C(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000328591101 176056358 /nfs/dbraw/zinc/05/63/58/176056358.db2.gz BTOVVNCAUQBAGP-VDMZIHNYSA-N -1 0 237.299 1.808 50 0 BDAARM C[C@@H]1CCCC[C@H]1NC(=O)/C=C/C(=O)[O-] ZINC000000216124 176086124 /nfs/dbraw/zinc/08/61/24/176086124.db2.gz WHXVOGJPORPGRD-VRIGTBSNSA-N -1 0 211.261 1.322 50 0 BDAARM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000004202438 176252751 /nfs/dbraw/zinc/25/27/51/176252751.db2.gz ZFQQTPBWJCJGSV-RKDXNWHRSA-N -1 0 243.303 1.964 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094536 176432784 /nfs/dbraw/zinc/43/27/84/176432784.db2.gz NJHLXYNGPQOJLU-GMSGAONNSA-N -1 0 219.240 1.979 50 0 BDAARM C[C@H]1CC(=O)Nc2cc(C(=O)[O-])ccc2N1 ZINC000037461752 177063254 /nfs/dbraw/zinc/06/32/54/177063254.db2.gz CQUCHADCYAWTPQ-LURJTMIESA-N -1 0 220.228 1.527 50 0 BDAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000035347426 177226867 /nfs/dbraw/zinc/22/68/67/177226867.db2.gz ZVDANOCPOWTULY-VIFPVBQESA-N -1 0 249.266 1.246 50 0 BDAARM C[C@H]1C[C@@H](NC(=O)/C=C/C(=O)[O-])CC(C)(C)C1 ZINC000004289055 177329027 /nfs/dbraw/zinc/32/90/27/177329027.db2.gz VJVRSOGEUWANMN-OCIBVNFRSA-N -1 0 239.315 1.958 50 0 BDAARM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094537 177377205 /nfs/dbraw/zinc/37/72/05/177377205.db2.gz NJHLXYNGPQOJLU-OIBJUYFYSA-N -1 0 219.240 1.979 50 0 BDAARM CC(C)C[C@@H](NC(=O)C1CCOCC1)C(=O)[O-] ZINC000020249547 487673195 /nfs/dbraw/zinc/67/31/95/487673195.db2.gz OMNNBTJGOJMTCA-SNVBAGLBSA-N -1 0 243.303 1.029 50 0 BDAARM Cc1nn(C)cc1C([O-])=CC(=O)C(F)(F)F ZINC000100497229 487945880 /nfs/dbraw/zinc/94/58/80/487945880.db2.gz YOUQVUDXGZRPNP-UHFFFAOYSA-N -1 0 234.177 1.433 50 0 BDAARM CCOc1ccccc1-c1nc(C(=O)[O-])nn1C ZINC000534578253 323153901 /nfs/dbraw/zinc/15/39/01/323153901.db2.gz HYUCZEYLUJECJR-UHFFFAOYSA-N -1 0 247.254 1.579 50 0 BDAARM CCc1nc(-c2ccccc2C(=O)[O-])nn1C ZINC000534637799 323157085 /nfs/dbraw/zinc/15/70/85/323157085.db2.gz FHANVSKVHINEKL-UHFFFAOYSA-N -1 0 231.255 1.743 50 0 BDAARM CN(C)c1cncc(-c2cccc(C(=O)[O-])c2)n1 ZINC000534652340 323157633 /nfs/dbraw/zinc/15/76/33/323157633.db2.gz KMKZKGWRLSCTKE-UHFFFAOYSA-N -1 0 243.266 1.908 50 0 BDAARM CC(C)OC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000090372148 323237336 /nfs/dbraw/zinc/23/73/36/323237336.db2.gz FGUDXPCDXVOUPE-IUCAKERBSA-N -1 0 214.261 1.829 50 0 BDAARM O=C([O-])[C@@H](O)COc1cccc2ccccc21 ZINC000002568239 323307492 /nfs/dbraw/zinc/30/74/92/323307492.db2.gz CFQFHRDQYGTGFA-NSHDSACASA-N -1 0 232.235 1.664 50 0 BDAARM O=C([O-])C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000408525999 488177116 /nfs/dbraw/zinc/17/71/16/488177116.db2.gz ULFZLAMTVUZOKN-UHFFFAOYSA-N -1 0 239.181 1.579 50 0 BDAARM Cc1cc2c(cc1CN1CC[C@H]1C(=O)[O-])OCO2 ZINC000244718998 525605137 /nfs/dbraw/zinc/60/51/37/525605137.db2.gz LUUGWUBKSQWIKW-JTQLQIEISA-N -1 0 249.266 1.383 50 0 BDAARM O=C([O-])c1ccccc1C1=NCCCO1 ZINC000019898942 526395034 /nfs/dbraw/zinc/39/50/34/526395034.db2.gz HOYLHLYXHLPQKM-UHFFFAOYSA-N -1 0 205.213 1.552 50 0 BDAARM N#Cc1ccc([S@](=O)[O-])c(Cl)c1 ZINC000148012773 537960890 /nfs/dbraw/zinc/96/08/90/537960890.db2.gz HZCNFWUWNBZWEB-UHFFFAOYSA-N -1 0 201.634 1.792 50 0 BDAARM O=C([O-])C(=O)c1ccccc1OC(F)(F)F ZINC000397453596 583100726 /nfs/dbraw/zinc/10/07/26/583100726.db2.gz QOQPIFAFCAILCF-UHFFFAOYSA-N -1 0 234.129 1.853 50 0 BDAARM Nc1cc(Br)cnc1CC(=O)[O-] ZINC000071787917 585167560 /nfs/dbraw/zinc/16/75/60/585167560.db2.gz RLXAYGGCRBEJQZ-UHFFFAOYSA-N -1 0 231.049 1.053 50 0 BDAARM CC(=O)NN=C(CCC(=O)[O-])c1cccs1 ZINC000254744466 642737401 /nfs/dbraw/zinc/73/74/01/642737401.db2.gz BPZJCRMETIKYKX-UHFFFAOYSA-N -1 0 240.284 1.453 50 0 BDAARM COP(=O)(OC)c1ccc(C(=O)[O-])cc1 ZINC000022017607 643398836 /nfs/dbraw/zinc/39/88/36/643398836.db2.gz LBWLQJUDQFBOGR-UHFFFAOYSA-N -1 0 230.156 1.496 50 0 BDAARM O=c1c2c([n-]nc1O)C(=Cc1ccccc1)CC2 ZINC000032696062 643422826 /nfs/dbraw/zinc/42/28/26/643422826.db2.gz JFVGTLODRUOYPF-NTMALXAHSA-N -1 0 240.262 1.962 50 0 BDAARM Cc1ccc(C)c([C@@H](C(=O)[O-])N2CC(O)C2)c1 ZINC001529186632 990335410 /nfs/dbraw/zinc/33/54/10/990335410.db2.gz IUWRMQNDCLNGHV-LBPRGKRZSA-N -1 0 235.283 1.106 50 0 BDAARM CCC(CC)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091292834 168334705 /nfs/dbraw/zinc/33/47/05/168334705.db2.gz QFHZRJDQFWNSCZ-SNVBAGLBSA-N -1 0 243.303 1.125 50 0 BDAARM Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC000085321525 398189420 /nfs/dbraw/zinc/18/94/20/398189420.db2.gz VKPJLJVJEXCUCO-VHSXEESVSA-N -1 0 248.282 1.373 50 0 BDAARM Cc1ccc2c(c1)[C@H](C(=O)[O-])C[C@H](O)N2 ZINC000074934381 398209830 /nfs/dbraw/zinc/20/98/30/398209830.db2.gz VJGAWZSNPBFKST-SCZZXKLOSA-N -1 0 207.229 1.297 50 0 BDAARM Cc1cc(NC(=O)CCCC(=O)[O-])no1 ZINC000000100976 178128878 /nfs/dbraw/zinc/12/88/78/178128878.db2.gz KGGKBNYGAAXOCS-UHFFFAOYSA-N -1 0 212.205 1.176 50 0 BDAARM Cc1cc(NC(=O)C[C@@H](C)CC(=O)[O-])no1 ZINC000000100901 178132401 /nfs/dbraw/zinc/13/24/01/178132401.db2.gz GUPVSSZMOKLSBL-ZCFIWIBFSA-N -1 0 226.232 1.422 50 0 BDAARM Cc1cc(=O)n2nc(C(F)(F)F)[n-]c2n1 ZINC000012421697 178201005 /nfs/dbraw/zinc/20/10/05/178201005.db2.gz ABRJUSGRGBUWOM-UHFFFAOYSA-N -1 0 218.138 1.157 50 0 BDAARM Cc1cc2nc3c(c(=O)n2[n-]1)CSC3 ZINC000000165818 178304079 /nfs/dbraw/zinc/30/40/79/178304079.db2.gz QNLFDQSUTUIETE-UHFFFAOYSA-N -1 0 207.258 1.490 50 0 BDAARM Cc1ccc(/C=C\CC(=O)NCC(=O)[O-])cc1 ZINC000221723735 178358211 /nfs/dbraw/zinc/35/82/11/178358211.db2.gz JZKQFWKKTWTARI-IHWYPQMZSA-N -1 0 233.267 1.599 50 0 BDAARM Cc1ccc(Br)nc1C(=O)[O-] ZINC000096034437 178362294 /nfs/dbraw/zinc/36/22/94/178362294.db2.gz KPKYFTBPNJJOHZ-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000011890699 178389404 /nfs/dbraw/zinc/38/94/04/178389404.db2.gz XXIZSXAVJZFQFI-LLVKDONJSA-N -1 0 233.267 1.684 50 0 BDAARM CC[C@H]1CN(C(=O)OC(C)(C)C)C([O-])=CC1=O ZINC000081990550 398271570 /nfs/dbraw/zinc/27/15/70/398271570.db2.gz KNXSCLVWCAEWDH-QMMMGPOBSA-N -1 0 241.287 1.749 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccc(Cl)cc1 ZINC000000075383 342673133 /nfs/dbraw/zinc/67/31/33/342673133.db2.gz FBTQVXSNFILAQY-AATRIKPKSA-N -1 0 225.631 1.919 50 0 BDAARM Cc1cc(=O)c(C(=O)[O-])nn1-c1ccccc1 ZINC000000088302 342673696 /nfs/dbraw/zinc/67/36/96/342673696.db2.gz IYLQQYCKWAAZLD-UHFFFAOYSA-N -1 0 230.223 1.239 50 0 BDAARM CC1(C(=O)[O-])COC(c2ccccc2)OC1 ZINC000000089068 342673796 /nfs/dbraw/zinc/67/37/96/342673796.db2.gz WDSCTZOPHREENN-UHFFFAOYSA-N -1 0 222.240 1.823 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(F)cc2)N1 ZINC000000138371 342676723 /nfs/dbraw/zinc/67/67/23/342676723.db2.gz GPKWJQGAXZSDCF-DTWKUNHWSA-N -1 0 227.260 1.614 50 0 BDAARM COc1cc(/C=C/C(=O)[O-])ccc1OC(C)=O ZINC000000156089 342677734 /nfs/dbraw/zinc/67/77/34/342677734.db2.gz IHKNVZISLLDMOR-GQCTYLIASA-N -1 0 236.223 1.718 50 0 in-vitro BDAARM O=C([O-])[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000000158017 342678152 /nfs/dbraw/zinc/67/81/52/342678152.db2.gz RDZZYCFISJESTF-LLVKDONJSA-N -1 0 245.278 1.087 50 0 BDAARM Cc1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000000168611 342678898 /nfs/dbraw/zinc/67/88/98/342678898.db2.gz RXHIHKOQEFDAFN-UHFFFAOYSA-N -1 0 239.296 1.751 50 0 BDAARM CCO[P@@](=O)(CC(=O)[O-])c1ccccc1 ZINC000000187079 342679487 /nfs/dbraw/zinc/67/94/87/342679487.db2.gz HBANCDWRBXDLPH-HNNXBMFYSA-N -1 0 228.184 1.711 50 0 BDAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000269420 342681918 /nfs/dbraw/zinc/68/19/18/342681918.db2.gz LWBXWUBOAVLXAX-SECBINFHSA-N -1 0 219.240 1.433 50 0 BDAARM Cc1c(C=O)c2ccccc2n1CC(=O)[O-] ZINC000000317369 342683305 /nfs/dbraw/zinc/68/33/05/342683305.db2.gz SPDRKMLFDFIREG-UHFFFAOYSA-N -1 0 217.224 1.847 50 0 BDAARM O=C([O-])c1ccc(Br)cn1 ZINC000000330875 342683607 /nfs/dbraw/zinc/68/36/07/342683607.db2.gz MNNQIBXLAHVDDL-UHFFFAOYSA-N -1 0 202.007 1.542 50 0 BDAARM CCC1=C([O-])c2ccccc2S1(=O)=O ZINC000000339698 342684108 /nfs/dbraw/zinc/68/41/08/342684108.db2.gz QGORIRPNIXUMQP-MRVPVSSYSA-N -1 0 210.254 1.435 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1ccccc1 ZINC000000345571 342684317 /nfs/dbraw/zinc/68/43/17/342684317.db2.gz LRMTVZBRYDTDCU-PSASIEDQSA-N -1 0 206.197 1.375 50 0 BDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCCC1 ZINC000000349086 342684558 /nfs/dbraw/zinc/68/45/58/342684558.db2.gz VDQJAWYQRNBTCR-RCWTZXSCSA-N -1 0 235.283 1.132 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccccc1Cl ZINC000000365912 342685049 /nfs/dbraw/zinc/68/50/49/342685049.db2.gz LFEXQNUUUHXDEE-UHFFFAOYSA-N -1 0 237.646 1.927 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2cccs2)N1 ZINC000000054093 342671699 /nfs/dbraw/zinc/67/16/99/342671699.db2.gz ZUDFHYZUQCNUJF-CAHLUQPWSA-N -1 0 215.299 1.536 50 0 BDAARM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000000057569 342672113 /nfs/dbraw/zinc/67/21/13/342672113.db2.gz JQAOHGMPAAWWQO-MRVPVSSYSA-N -1 0 229.276 1.861 50 0 in-vitro BDAARM O=c1c2ccccc2[n-]c(=S)n1CCO ZINC000000619557 342691039 /nfs/dbraw/zinc/69/10/39/342691039.db2.gz IHCXUWLMVZCHML-UHFFFAOYSA-N -1 0 222.269 1.051 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000001081349 342697125 /nfs/dbraw/zinc/69/71/25/342697125.db2.gz BUEPEVBYNBQNED-YUMQZZPRSA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])c1cccc2c1OC(F)(F)O2 ZINC000002382130 342719388 /nfs/dbraw/zinc/71/93/88/342719388.db2.gz ZGAQVJDFFVTWJK-UHFFFAOYSA-N -1 0 202.112 1.706 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000004102135 342742201 /nfs/dbraw/zinc/74/22/01/342742201.db2.gz DSIJZEFRTBQDCQ-SECBINFHSA-N -1 0 225.288 1.642 50 0 BDAARM O=C([O-])c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000004197177 342743677 /nfs/dbraw/zinc/74/36/77/342743677.db2.gz MBSHSAISLICYDE-JTQLQIEISA-N -1 0 235.239 1.502 50 0 BDAARM Cc1cnn(Cc2c(C)onc2C(=O)[O-])c1 ZINC000004237924 342745066 /nfs/dbraw/zinc/74/50/66/342745066.db2.gz HOPCBVGVMTZTOG-UHFFFAOYSA-N -1 0 221.216 1.234 50 0 BDAARM O=C([O-])c1cc(-c2cccc(O)c2)on1 ZINC000004294549 342746205 /nfs/dbraw/zinc/74/62/05/342746205.db2.gz ISLIVLUJZHTSRK-UHFFFAOYSA-N -1 0 205.169 1.745 50 0 BDAARM Cc1ccc2occ(-c3nnn[n-]3)c(=O)c2c1 ZINC000004473175 342747873 /nfs/dbraw/zinc/74/78/73/342747873.db2.gz VVCVSDJCXCPMPC-UHFFFAOYSA-N -1 0 228.211 1.282 50 0 BDAARM Cc1ccc(C)c(NC(=O)/C=C\C(=O)[O-])c1 ZINC000004579160 342749312 /nfs/dbraw/zinc/74/93/12/342749312.db2.gz HKRFJIKIGIFHBL-WAYWQWQTSA-N -1 0 219.240 1.883 50 0 BDAARM O=C1[N-]C(=O)/C(=C/c2ccccc2Cl)N1 ZINC000002954569 342728804 /nfs/dbraw/zinc/72/88/04/342728804.db2.gz CVCARONLQOISKW-YVMONPNESA-N -1 0 222.631 1.520 50 0 BDAARM CC(C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000003121464 342730664 /nfs/dbraw/zinc/73/06/64/342730664.db2.gz MXINFBPZEKFXRI-LLVKDONJSA-N -1 0 235.283 1.975 50 0 BDAARM Cc1ccsc1/C=C/C(=O)NCC(=O)[O-] ZINC000003588915 342734722 /nfs/dbraw/zinc/73/47/22/342734722.db2.gz HPZBDQJRZFAHON-NSCUHMNNSA-N -1 0 225.269 1.271 50 0 BDAARM O=C([O-])[C@@H]1CCCN1c1ccc(Cl)nn1 ZINC000004778725 342752233 /nfs/dbraw/zinc/75/22/33/342752233.db2.gz GRMDAHGBUDZQMP-LURJTMIESA-N -1 0 227.651 1.183 50 0 BDAARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1F ZINC000004839757 342753038 /nfs/dbraw/zinc/75/30/38/342753038.db2.gz DEFUAHXVPYNTKQ-QMMMGPOBSA-N -1 0 237.230 1.572 50 0 BDAARM Cc1cc(=O)n(-c2ccc(C(=O)[O-])cc2)[nH]1 ZINC000004949419 342754994 /nfs/dbraw/zinc/75/49/94/342754994.db2.gz UCPCNLOLCYTUOE-UHFFFAOYSA-N -1 0 218.212 1.172 50 0 BDAARM Cc1ccc(C)n1[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000004992587 342756045 /nfs/dbraw/zinc/75/60/45/342756045.db2.gz GCJOIMVYIJUXHG-LLVKDONJSA-N -1 0 233.271 1.696 50 0 BDAARM CCOc1ccc(C(=O)[O-])nc1Cl ZINC000005046342 342757030 /nfs/dbraw/zinc/75/70/30/342757030.db2.gz GXZJCFQQJUJZEI-UHFFFAOYSA-N -1 0 201.609 1.832 50 0 BDAARM CN(C)c1ccc2c(CC(=O)[O-])cc(=O)oc2c1 ZINC000005328759 342762197 /nfs/dbraw/zinc/76/21/97/342762197.db2.gz HQMBLJOHUDYJLK-UHFFFAOYSA-N -1 0 247.250 1.486 50 0 BDAARM Cc1cc(C)nc(-n2[n-]c(C(C)C)cc2=O)n1 ZINC000005388588 342763050 /nfs/dbraw/zinc/76/30/50/342763050.db2.gz ZBTXRFSNWFAWHO-UHFFFAOYSA-N -1 0 232.287 1.842 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccccn1 ZINC000004748301 342751386 /nfs/dbraw/zinc/75/13/86/342751386.db2.gz WQBFYJWMZVEVMO-SECBINFHSA-N -1 0 236.271 1.199 50 0 BDAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000006645491 342780256 /nfs/dbraw/zinc/78/02/56/342780256.db2.gz IKVSBAJCNQWULH-UHFFFAOYSA-N -1 0 247.206 1.811 50 0 BDAARM Cc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1C ZINC000008739462 342804035 /nfs/dbraw/zinc/80/40/35/342804035.db2.gz VYZYJMSYHXAFRV-UHFFFAOYSA-N -1 0 230.271 1.834 50 0 BDAARM Cc1ccc2[nH]c(=O)cc(C(=O)[O-])c2c1 ZINC000008738298 342804141 /nfs/dbraw/zinc/80/41/41/342804141.db2.gz QVTJOPNRAHFOHK-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 biogenic BDAARM CCOc1ccccc1Nc1nncc(=O)[n-]1 ZINC000008997650 342806787 /nfs/dbraw/zinc/80/67/87/342806787.db2.gz KBOBEIDXLZAKAY-UHFFFAOYSA-N -1 0 232.243 1.720 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)N1c1ccccc1 ZINC000011894501 342844322 /nfs/dbraw/zinc/84/43/22/342844322.db2.gz JITXFZOGKNNXCT-SECBINFHSA-N -1 0 205.213 1.267 50 0 BDAARM O=C([O-])c1csc(N2CCCCC2)n1 ZINC000012336804 342849239 /nfs/dbraw/zinc/84/92/39/342849239.db2.gz CTYVDXOBZLKERL-UHFFFAOYSA-N -1 0 212.274 1.832 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012343484 342849451 /nfs/dbraw/zinc/84/94/51/342849451.db2.gz MITBXWOAYZPGJN-MRVPVSSYSA-N -1 0 211.261 1.252 50 0 BDAARM O=C([O-])c1ccc(Cl)c(-n2cnnn2)c1 ZINC000012428460 342852126 /nfs/dbraw/zinc/85/21/26/342852126.db2.gz SJLJFJOUKICLLL-UHFFFAOYSA-N -1 0 224.607 1.014 50 0 BDAARM COC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004350155 342854806 /nfs/dbraw/zinc/85/48/06/342854806.db2.gz VWOSZDXAKCVIJH-RKDXNWHRSA-N -1 0 212.245 1.607 50 0 BDAARM C[C@H](NC(=O)CCc1ccccc1)C(=O)[O-] ZINC000011888921 342844072 /nfs/dbraw/zinc/84/40/72/342844072.db2.gz WHQOVJKEOBDJIV-VIFPVBQESA-N -1 0 221.256 1.209 50 0 BDAARM O=C([O-])[C@H](c1ccsc1)N1CCOCC1 ZINC000012954336 342861895 /nfs/dbraw/zinc/86/18/95/342861895.db2.gz FXNFVONNFHQFES-VIFPVBQESA-N -1 0 227.285 1.206 50 0 BDAARM CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000013718804 342870995 /nfs/dbraw/zinc/87/09/95/342870995.db2.gz AHVBATBBFVYBGJ-ZYHUDNBSSA-N -1 0 233.267 1.681 50 0 biogenic BDAARM Cc1cc(=O)[nH]c(NCc2cccnc2)n1 ZINC000004368109 342857763 /nfs/dbraw/zinc/85/77/63/342857763.db2.gz XRBXPSPWFBQOJA-UHFFFAOYSA-N -1 0 216.244 1.085 50 0 BDAARM Cc1[nH]c2ccccc2c(=O)c1S(=O)(=O)[O-] ZINC000020177923 398315544 /nfs/dbraw/zinc/31/55/44/398315544.db2.gz WYHZGXDHZDGGJO-UHFFFAOYSA-N -1 0 239.252 1.083 50 0 BDAARM O=c1[nH]cnc2c1ncn2-c1ccccc1 ZINC000017285814 342922837 /nfs/dbraw/zinc/92/28/37/342922837.db2.gz HXOKFCNYKJYTEM-UHFFFAOYSA-N -1 0 212.212 1.109 50 0 BDAARM CC(C)(C)OC(=O)N1C=CCC[C@H]1C(=O)[O-] ZINC000016697205 342914333 /nfs/dbraw/zinc/91/43/33/342914333.db2.gz FFOXQMAOPSBJON-QMMMGPOBSA-N -1 0 227.260 1.984 50 0 BDAARM Cc1c([O-])c2cnn(-c3ccccc3)c2[nH]c1=O ZINC000017949020 342929552 /nfs/dbraw/zinc/92/95/52/342929552.db2.gz PIHZZXVAVRTXKU-UHFFFAOYSA-N -1 0 241.250 1.728 50 0 BDAARM CCO[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000012649439 133450079 /nfs/dbraw/zinc/45/00/79/133450079.db2.gz FMJUDUJLTNVWCH-JTQLQIEISA-N -1 0 210.229 1.424 50 0 BDAARM O=C([O-])[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000019686078 342953640 /nfs/dbraw/zinc/95/36/40/342953640.db2.gz KRPARCGMIZYMDT-NSHDSACASA-N -1 0 239.246 1.111 50 0 BDAARM CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000000499500 346897990 /nfs/dbraw/zinc/89/79/90/346897990.db2.gz HOQRDQRNVPZZOZ-LLVKDONJSA-N -1 0 249.310 1.845 50 0 BDAARM O=C([O-])c1ccnc(OC[C@@H]2CCCCO2)c1 ZINC000019813065 342958599 /nfs/dbraw/zinc/95/85/99/342958599.db2.gz HLXJNYGMAIUKFE-JTQLQIEISA-N -1 0 237.255 1.728 50 0 BDAARM O=C([O-])c1ccnc(OC[C@H]2CCCCO2)c1 ZINC000019813068 342958770 /nfs/dbraw/zinc/95/87/70/342958770.db2.gz HLXJNYGMAIUKFE-SNVBAGLBSA-N -1 0 237.255 1.728 50 0 BDAARM O=C(c1cnc2ccnn2c1)c1ccccc1[O-] ZINC000019873026 342960481 /nfs/dbraw/zinc/96/04/81/342960481.db2.gz GGVOGQDBMRPFDO-UHFFFAOYSA-N -1 0 239.234 1.666 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000019981304 342965694 /nfs/dbraw/zinc/96/56/94/342965694.db2.gz GUJQGXPEJFDCGP-VIFPVBQESA-N -1 0 240.303 1.435 50 0 BDAARM O=C([O-])c1cc(F)cc(Br)c1O ZINC000020593705 342991967 /nfs/dbraw/zinc/99/19/67/342991967.db2.gz MJNQXLZBKUYDRP-UHFFFAOYSA-N -1 0 235.008 1.992 50 0 BDAARM O=C([O-])c1ccc(-c2cncnc2)s1 ZINC000020357769 342983553 /nfs/dbraw/zinc/98/35/53/342983553.db2.gz YCKZJFVCMNJVLD-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM C[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000082600257 259337711 /nfs/dbraw/zinc/33/77/11/259337711.db2.gz IGLUKFNPDYXRDD-BQBZGAKWSA-N -1 0 247.316 1.770 50 0 BDAARM COc1ccccc1NC(=O)/C=C\C(=O)[O-] ZINC000029786485 343146751 /nfs/dbraw/zinc/14/67/51/343146751.db2.gz HGLMERMZXFKZOL-SREVYHEPSA-N -1 0 221.212 1.275 50 0 biogenic BDAARM O=S(=O)([N-]c1nncs1)c1cccs1 ZINC000027931657 343125589 /nfs/dbraw/zinc/12/55/89/343125589.db2.gz ANZZJCXHYSJLRA-UHFFFAOYSA-N -1 0 247.326 1.400 50 0 BDAARM Cc1sc(-n2cnnn2)c(C(=O)[O-])c1C ZINC000032500430 343236450 /nfs/dbraw/zinc/23/64/50/343236450.db2.gz DRBXCOZZSUUZBK-UHFFFAOYSA-N -1 0 224.245 1.039 50 0 BDAARM O=C([O-])c1ccc(-c2cccnc2)[nH]c1=O ZINC000032625215 343238463 /nfs/dbraw/zinc/23/84/63/343238463.db2.gz PVZPPPFCSRLPSW-UHFFFAOYSA-N -1 0 216.196 1.135 50 0 BDAARM CC(=O)N[C@@H]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000000328196 343269900 /nfs/dbraw/zinc/26/99/00/343269900.db2.gz BBNRPFXNYBFATO-OCCSQVGLSA-N -1 0 247.294 1.698 50 0 BDAARM CC(C)CSc1nc(O)c(CC(=O)[O-])s1 ZINC000034927048 343281009 /nfs/dbraw/zinc/28/10/09/343281009.db2.gz VNGXVBLOSQRYJH-LURJTMIESA-N -1 0 247.341 1.848 50 0 BDAARM O=C([O-])c1c(=O)cc[nH]c1Br ZINC000036533466 343320145 /nfs/dbraw/zinc/32/01/45/343320145.db2.gz KOXXROVSDNRBCY-UHFFFAOYSA-N -1 0 218.006 1.248 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccccc1 ZINC000036532832 343320159 /nfs/dbraw/zinc/32/01/59/343320159.db2.gz FUWHNFZMBCQYGY-ZJUUUORDSA-N -1 0 219.240 1.024 50 0 BDAARM Cc1oc(=O)c2ccccc2c1C(=O)[O-] ZINC000036657724 343321698 /nfs/dbraw/zinc/32/16/98/343321698.db2.gz QSZOBUZRHRZWBB-UHFFFAOYSA-N -1 0 204.181 1.800 50 0 BDAARM CC[C@@H](Nc1nc(C)cs1)C(=O)[O-] ZINC000035410953 343296325 /nfs/dbraw/zinc/29/63/25/343296325.db2.gz JTJBEQLJFXCUQT-ZCFIWIBFSA-N -1 0 200.263 1.727 50 0 BDAARM O=C([O-])c1cnc2ccnn2c1C(F)F ZINC000035655599 343301242 /nfs/dbraw/zinc/30/12/42/343301242.db2.gz DHJIMIJRRHBMOJ-UHFFFAOYSA-N -1 0 213.143 1.365 50 0 BDAARM Nc1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000037930131 343361201 /nfs/dbraw/zinc/36/12/01/343361201.db2.gz PXDJWGTVWILAIK-UHFFFAOYSA-N -1 0 206.245 1.567 50 0 BDAARM COC(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000037473956 343346359 /nfs/dbraw/zinc/34/63/59/343346359.db2.gz PSYSRJKBJBODPT-UHFFFAOYSA-N -1 0 211.173 1.269 50 0 BDAARM C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)[O-] ZINC000039094039 343381886 /nfs/dbraw/zinc/38/18/86/343381886.db2.gz FNYRVJJDNPAVSS-SSDOTTSWSA-N -1 0 217.265 1.622 50 0 BDAARM O=C([O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000039117802 343385441 /nfs/dbraw/zinc/38/54/41/343385441.db2.gz CKIPXLZSJUHFDD-QMMMGPOBSA-N -1 0 200.621 1.501 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccccc1 ZINC000040162863 343397325 /nfs/dbraw/zinc/39/73/25/343397325.db2.gz DFDYQFDORBLAGV-WCQYABFASA-N -1 0 245.278 1.823 50 0 BDAARM O=C([O-])c1cccc(-c2ccncc2)n1 ZINC000040447900 343403741 /nfs/dbraw/zinc/40/37/41/343403741.db2.gz VNFMXDDGOPFNDC-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM C/C(=C/C(=O)NCc1ccc(C(=O)[O-])o1)C1CC1 ZINC000097231286 344102351 /nfs/dbraw/zinc/10/23/51/344102351.db2.gz YKFATBZRNNEXPH-VURMDHGXSA-N -1 0 249.266 1.950 50 0 BDAARM COC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000000244533 344658183 /nfs/dbraw/zinc/65/81/83/344658183.db2.gz LLVFLMQXGZLNMD-UHFFFAOYSA-N -1 0 249.675 1.385 50 0 BDAARM C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000033433468 344743586 /nfs/dbraw/zinc/74/35/86/344743586.db2.gz JDZJPBGMOPJBQP-FUOZMLNRSA-N -1 0 219.240 1.289 50 0 BDAARM Cc1ccc2nc(CCC(=O)[O-])c(=O)oc2c1 ZINC000020315110 178974751 /nfs/dbraw/zinc/97/47/51/178974751.db2.gz BTBOLMMOYOSAIR-UHFFFAOYSA-N -1 0 233.223 1.514 50 0 BDAARM COc1cc(/C=C(/C#N)C(=O)[O-])cc(OC)c1 ZINC000147686413 537953192 /nfs/dbraw/zinc/95/31/92/537953192.db2.gz WZSSRMAWSJFHCL-OQFOIZHKSA-N -1 0 233.223 1.695 50 0 BDAARM Cc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000003881187 179010365 /nfs/dbraw/zinc/01/03/65/179010365.db2.gz ITKCGEBAAOLKSC-NSHDSACASA-N -1 0 233.267 1.684 50 0 BDAARM Cc1cccc(C)c1N1C[C@@H](C(=O)[O-])CC1=O ZINC000005001329 179039974 /nfs/dbraw/zinc/03/99/74/179039974.db2.gz PMFQUYSCBXNYOR-JTQLQIEISA-N -1 0 233.267 1.741 50 0 BDAARM Cc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000037719161 179088970 /nfs/dbraw/zinc/08/89/70/179088970.db2.gz WLFVIHJSSHNUDX-WDEREUQCSA-N -1 0 233.267 1.332 50 0 BDAARM Cc1oc(C(=O)[O-])cc1CSc1nc[nH]n1 ZINC000005361000 346614937 /nfs/dbraw/zinc/61/49/37/346614937.db2.gz KAKJNQFOFKCRPT-UHFFFAOYSA-N -1 0 239.256 1.697 50 0 BDAARM Cc1cccc(NC(=O)NCC(=O)[O-])c1 ZINC000019978268 179133446 /nfs/dbraw/zinc/13/34/46/179133446.db2.gz VZOMJJJMNAGVRE-UHFFFAOYSA-N -1 0 208.217 1.201 50 0 BDAARM Cc1cccc(N[C@H]2SC(=O)[N-]C2=O)c1 ZINC000003865890 179158925 /nfs/dbraw/zinc/15/89/25/179158925.db2.gz PUQNPNSSJGZZIS-VIFPVBQESA-N -1 0 222.269 1.716 50 0 BDAARM Cc1ccccc1CCC(=O)NC1(C(=O)[O-])CC1 ZINC000203657180 179260445 /nfs/dbraw/zinc/26/04/45/179260445.db2.gz DDDIYUKVZFHQFR-UHFFFAOYSA-N -1 0 247.294 1.661 50 0 BDAARM Cc1ccccc1C1=NO[C@@H](C(=O)[O-])C1 ZINC000020594077 179256583 /nfs/dbraw/zinc/25/65/83/179256583.db2.gz LGUIIQKRAPDXBD-SNVBAGLBSA-N -1 0 205.213 1.573 50 0 BDAARM Cc1nc2ccc(S(=O)(=O)[O-])cc2nc1C ZINC000149880676 347548965 /nfs/dbraw/zinc/54/89/65/347548965.db2.gz HHKUJCYZVGDUNW-UHFFFAOYSA-N -1 0 238.268 1.493 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000195551318 347641847 /nfs/dbraw/zinc/64/18/47/347641847.db2.gz YJIFMIDCSSZDJK-OPRDCNLKSA-N -1 0 249.266 1.664 50 0 BDAARM Cc1ccccc1OCn1ccc(C(=O)[O-])n1 ZINC000002554063 179313155 /nfs/dbraw/zinc/31/31/55/179313155.db2.gz RZUXYMCOMNLXBT-UHFFFAOYSA-N -1 0 232.239 1.926 50 0 BDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCC(=O)[O-] ZINC000237632892 179329473 /nfs/dbraw/zinc/32/94/73/179329473.db2.gz TZLIGMOMYQKHHF-RYUDHWBXSA-N -1 0 247.294 1.689 50 0 BDAARM Cc1ccccc1[C@H]1CN([C@H](C)C(=O)[O-])CCO1 ZINC000299752249 179349131 /nfs/dbraw/zinc/34/91/31/179349131.db2.gz SZWKQYVKIWOBTQ-DGCLKSJQSA-N -1 0 249.310 1.841 50 0 BDAARM Cc1cccnc1-c1noc(CCC(=O)[O-])n1 ZINC000043616199 179358108 /nfs/dbraw/zinc/35/81/08/179358108.db2.gz GUSSGZSCPQUCHR-UHFFFAOYSA-N -1 0 233.227 1.457 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000001433118 190972230 /nfs/dbraw/zinc/97/22/30/190972230.db2.gz RNJQBGXOSAQQDG-YUMQZZPRSA-N -1 0 229.276 1.764 50 0 in-vitro BDAARM Cc1cscc1NC(=O)/C=C/C(=O)[O-] ZINC000000082767 179805702 /nfs/dbraw/zinc/80/57/02/179805702.db2.gz RADQFYZJCRLPDM-NSCUHMNNSA-N -1 0 211.242 1.636 50 0 BDAARM Cc1nc2ccc(C(=O)[O-])cc2nc1C ZINC000000159055 180089098 /nfs/dbraw/zinc/08/90/98/180089098.db2.gz RCACNAWRFYUKLC-UHFFFAOYSA-N -1 0 202.213 1.945 50 0 BDAARM O=C([O-])c1cnc(NC(=O)C2CCC2)o1 ZINC000725256546 538058500 /nfs/dbraw/zinc/05/85/00/538058500.db2.gz SZVSJBRXFCZCOX-UHFFFAOYSA-N -1 0 210.189 1.111 50 0 BDAARM CC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100733901 191063518 /nfs/dbraw/zinc/06/35/18/191063518.db2.gz LQEMQGRMLUUWAW-NSHDSACASA-N -1 0 216.240 1.614 50 0 BDAARM Cc1nn(-c2ccccc2)cc1C(=O)[O-] ZINC000005533069 180330681 /nfs/dbraw/zinc/33/06/81/180330681.db2.gz XSSINBQIDAICII-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1nn(Cc2c(C)onc2C(=O)[O-])c(C)c1C ZINC000022637472 180391459 /nfs/dbraw/zinc/39/14/59/180391459.db2.gz QVULFZMFIPACCU-UHFFFAOYSA-N -1 0 249.270 1.851 50 0 BDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)[O-] ZINC000004218604 180386574 /nfs/dbraw/zinc/38/65/74/180386574.db2.gz QRVMFOVTGOXUCJ-UHFFFAOYSA-N -1 0 210.277 1.783 50 0 BDAARM Cc1occc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095961825 180539400 /nfs/dbraw/zinc/53/94/00/180539400.db2.gz CMXSXPSQPVDFBT-BDAKNGLRSA-N -1 0 237.255 1.571 50 0 BDAARM Cn1c(C(=O)[O-])cc2c1ncnc2Cl ZINC000095627664 180614494 /nfs/dbraw/zinc/61/44/94/180614494.db2.gz UDABJXOSWSKLJR-UHFFFAOYSA-N -1 0 211.608 1.320 50 0 BDAARM CC(C)(C)OC(=O)CC1(C(=O)[O-])CCOCC1 ZINC000390822196 187570141 /nfs/dbraw/zinc/57/01/41/187570141.db2.gz QACCOGYLZTWYBC-UHFFFAOYSA-N -1 0 244.287 1.600 50 0 BDAARM CC(C)[C@H](Nc1nc(Cl)ncc1F)C(=O)[O-] ZINC000098063776 187629490 /nfs/dbraw/zinc/62/94/90/187629490.db2.gz HOFZYMPVZPUYDP-LURJTMIESA-N -1 0 247.657 1.790 50 0 BDAARM Cc1c(F)cccc1NC(=O)CCC(=O)[O-] ZINC000000620152 187642136 /nfs/dbraw/zinc/64/21/36/187642136.db2.gz UJSIECTWJOZMIT-UHFFFAOYSA-N -1 0 225.219 1.937 50 0 BDAARM Cn1nc(-c2ccccc2F)cc1C(=O)[O-] ZINC000040457385 180799109 /nfs/dbraw/zinc/79/91/09/180799109.db2.gz LGODEEAGGPJBIR-UHFFFAOYSA-N -1 0 220.203 1.924 50 0 BDAARM C/C=C(\C)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000221726510 188252504 /nfs/dbraw/zinc/25/25/04/188252504.db2.gz LBCNDVYEXMWSME-VUQUXZKVSA-N -1 0 211.261 1.276 50 0 BDAARM COc1cc(Br)cc(C=O)c1O ZINC000000056914 188272132 /nfs/dbraw/zinc/27/21/32/188272132.db2.gz MMFKBTPDEVLIOR-UHFFFAOYSA-N -1 0 231.045 1.976 50 0 biogenic BDAARM CC(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC000000108514 188272153 /nfs/dbraw/zinc/27/21/53/188272153.db2.gz SWUMDDFBFZVMFJ-UXBLZVDNSA-N -1 0 239.658 1.902 50 0 BDAARM CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000000278463 188272512 /nfs/dbraw/zinc/27/25/12/188272512.db2.gz AKOVXMLBDXLGSK-SNVBAGLBSA-N -1 0 225.219 1.478 50 0 BDAARM CC(=O)Nc1ccc(C(=O)[O-])cc1NC(C)=O ZINC000000071547 188272617 /nfs/dbraw/zinc/27/26/17/188272617.db2.gz GHTLCMPYQOFKCS-UHFFFAOYSA-N -1 0 236.227 1.302 50 0 BDAARM CC(=O)c1c(C)cn(CCC(=O)[O-])c1C ZINC000000818946 188273527 /nfs/dbraw/zinc/27/35/27/188273527.db2.gz BCCXXQHSIPJVDI-UHFFFAOYSA-N -1 0 209.245 1.782 50 0 BDAARM CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000000399557 188273529 /nfs/dbraw/zinc/27/35/29/188273529.db2.gz POLGZPYHEPOBFG-LLVKDONJSA-N -1 0 235.283 1.916 50 0 biogenic,in-vitro BDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCCC1 ZINC000002584219 188274823 /nfs/dbraw/zinc/27/48/23/188274823.db2.gz VDQJAWYQRNBTCR-YTWAJWBKSA-N -1 0 235.283 1.132 50 0 BDAARM Cc1cc(C(=O)[O-])n(Cc2ccccc2)n1 ZINC000006070175 188278056 /nfs/dbraw/zinc/27/80/56/188278056.db2.gz JJADNHRPPVETTB-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM Cc1ccc(C)c(NC(=O)/C=C/C(=O)[O-])c1 ZINC000012368514 188279156 /nfs/dbraw/zinc/27/91/56/188279156.db2.gz HKRFJIKIGIFHBL-AATRIKPKSA-N -1 0 219.240 1.883 50 0 BDAARM C=CC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000019478400 188281221 /nfs/dbraw/zinc/28/12/21/188281221.db2.gz QQSAUUOOHVYERA-UHFFFAOYSA-N -1 0 207.185 1.215 50 0 BDAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccn1 ZINC000040162958 188292175 /nfs/dbraw/zinc/29/21/75/188292175.db2.gz YKPGTPDRMJJFDN-BXKDBHETSA-N -1 0 248.282 1.464 50 0 biogenic BDAARM CC(C)[C@H](C)C(=O)NC1(C(=O)[O-])CCC1 ZINC000088048676 188301338 /nfs/dbraw/zinc/30/13/38/188301338.db2.gz LULVJWNQEIPTNB-QMMMGPOBSA-N -1 0 213.277 1.402 50 0 BDAARM CC(=O)N[C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000057218520 188301528 /nfs/dbraw/zinc/30/15/28/188301528.db2.gz FFZZRLPMKXOLLS-CYBMUJFWSA-N -1 0 233.267 1.439 50 0 biogenic BDAARM Nc1ccc2c(CC(=O)[O-])cc(=O)oc2c1 ZINC000064033453 188304144 /nfs/dbraw/zinc/30/41/44/188304144.db2.gz BPASMQQUFOLZCT-UHFFFAOYSA-N -1 0 219.196 1.002 50 0 BDAARM CC(=O)Oc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000068590586 188304786 /nfs/dbraw/zinc/30/47/86/188304786.db2.gz CAVDVNVAVPVEGY-UHFFFAOYSA-N -1 0 219.196 1.791 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccn1 ZINC000071287679 188305641 /nfs/dbraw/zinc/30/56/41/188305641.db2.gz NRVDFMSOFBOUBQ-BDAKNGLRSA-N -1 0 234.255 1.377 50 0 BDAARM CC(=O)CC(=O)c1c[n-]n(-c2ccccc2)c1=O ZINC000100923717 188322863 /nfs/dbraw/zinc/32/28/63/188322863.db2.gz YDRRSIQFBNUWGJ-UHFFFAOYSA-N -1 0 244.250 1.740 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1c(F)cccc1F ZINC000000138721 188333780 /nfs/dbraw/zinc/33/37/80/188333780.db2.gz ZHAHDVOTGQIDEP-SNAWJCMRSA-N -1 0 227.166 1.544 50 0 BDAARM CC1(C(=O)[O-])CN(C(=O)[C@H]2CC=CCC2)C1 ZINC000399303479 355926852 /nfs/dbraw/zinc/92/68/52/355926852.db2.gz YDZJFNVUMLDAMF-VIFPVBQESA-N -1 0 223.272 1.276 50 0 BDAARM O=C([O-])CCCCC(=O)NC[C@@H]1CCCOC1 ZINC000038043535 491086206 /nfs/dbraw/zinc/08/62/06/491086206.db2.gz GEFHVOUMKPCBBE-JTQLQIEISA-N -1 0 243.303 1.174 50 0 BDAARM NC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000002650689 181261803 /nfs/dbraw/zinc/26/18/03/181261803.db2.gz SSFXPTPGKHWHHQ-MRVPVSSYSA-N -1 0 242.662 1.524 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000019518515 356483990 /nfs/dbraw/zinc/48/39/90/356483990.db2.gz LKMAPZFSIYORAG-MNOVXSKESA-N -1 0 237.299 1.666 50 0 BDAARM CC(C)Cc1onc(-c2c[nH]cn2)c1C(=O)[O-] ZINC000675057777 538479838 /nfs/dbraw/zinc/47/98/38/538479838.db2.gz OHSSHZROKHKING-UHFFFAOYSA-N -1 0 235.243 1.961 50 0 BDAARM CN(C)c1cc(-c2cnc(C(=O)[O-])nc2)ccn1 ZINC000675070034 538499833 /nfs/dbraw/zinc/49/98/33/538499833.db2.gz OPQHYVOGSJUPOE-UHFFFAOYSA-N -1 0 244.254 1.303 50 0 BDAARM O=C([O-])c1ccc(C(=O)N2C[C@@H]3C[C@@H]3C2)cc1 ZINC000380397446 356876204 /nfs/dbraw/zinc/87/62/04/356876204.db2.gz CCELYSRFRACBLC-PHIMTYICSA-N -1 0 231.251 1.477 50 0 BDAARM CC(C)(C)[C@H](NC(=O)C1CCOCC1)C(=O)[O-] ZINC000035390114 357218091 /nfs/dbraw/zinc/21/80/91/357218091.db2.gz XLCSUFZYBLABPT-SECBINFHSA-N -1 0 243.303 1.029 50 0 BDAARM O=C([O-])C(=O)c1cccc(C(F)(F)F)c1 ZINC000015442395 357338848 /nfs/dbraw/zinc/33/88/48/357338848.db2.gz APJFBBHXNCTOGI-UHFFFAOYSA-N -1 0 218.130 1.973 50 0 BDAARM CCOC(=O)N1CCC([C@@H](C)C(=O)[O-])CC1 ZINC000685951476 538895254 /nfs/dbraw/zinc/89/52/54/538895254.db2.gz KZSKNDRJHOFDOK-MRVPVSSYSA-N -1 0 229.276 1.576 50 0 BDAARM CC(C)(C(=O)NCC(=O)[O-])c1ccc(F)cc1 ZINC000170043799 166505956 /nfs/dbraw/zinc/50/59/56/166505956.db2.gz OCTHIXZBEJVBIE-UHFFFAOYSA-N -1 0 239.246 1.304 50 0 BDAARM NC(=O)c1ccc(CSCCC(=O)[O-])cc1 ZINC000012817523 181296492 /nfs/dbraw/zinc/29/64/92/181296492.db2.gz BLTPGTXJDMYLSC-UHFFFAOYSA-N -1 0 239.296 1.493 50 0 BDAARM CC(C)=CC(=O)[N-]S(=O)(=O)CC(C)C ZINC000069699350 219828189 /nfs/dbraw/zinc/82/81/89/219828189.db2.gz ZAHFFLVMKBAKIF-UHFFFAOYSA-N -1 0 219.306 1.055 50 0 BDAARM NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000096288855 181319712 /nfs/dbraw/zinc/31/97/12/181319712.db2.gz BCAAGTGJDOJXIN-UHFFFAOYSA-N -1 0 230.676 1.694 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCc1ccccc1 ZINC000037719254 364548096 /nfs/dbraw/zinc/54/80/96/364548096.db2.gz UAOBPCIVWJZAQG-NEPJUHHUSA-N -1 0 247.294 1.456 50 0 BDAARM CC(=O)Oc1cccc(C(=O)[O-])c1OC(C)=O ZINC000000001316 368474424 /nfs/dbraw/zinc/47/44/24/368474424.db2.gz NYIZXMGNIUSNKL-UHFFFAOYSA-N -1 0 238.195 1.235 50 0 world BDAARM CCCc1nn2c([n-]1)nc(CCC)cc2=O ZINC000018223189 371067031 /nfs/dbraw/zinc/06/70/31/371067031.db2.gz KJBQVPQKWYMNFE-UHFFFAOYSA-N -1 0 220.276 1.735 50 0 BDAARM Nc1cc(F)c(Br)cc1C(=O)[O-] ZINC000020300016 181685208 /nfs/dbraw/zinc/68/52/08/181685208.db2.gz RPHQHEBXMAGQKB-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM Nc1ccn(Cc2ccc(C(=O)[O-])cc2)n1 ZINC000002537425 181760474 /nfs/dbraw/zinc/76/04/74/181760474.db2.gz RZQYBTGNISQCAU-UHFFFAOYSA-N -1 0 217.228 1.212 50 0 BDAARM Nc1nc2sc(C(=O)[O-])cc2s1 ZINC000020134310 181796025 /nfs/dbraw/zinc/79/60/25/181796025.db2.gz YQBNNXSTYCYBBA-UHFFFAOYSA-N -1 0 200.244 1.638 50 0 BDAARM O=C([O-])CNC(=O)/C=C/c1cccc(Cl)c1 ZINC000003061108 371862550 /nfs/dbraw/zinc/86/25/50/371862550.db2.gz JMICTEOKPJVEJL-SNAWJCMRSA-N -1 0 239.658 1.554 50 0 BDAARM O=C([O-])C1(NC(=O)C2CC=CC2)CCCC1 ZINC000082865956 182089720 /nfs/dbraw/zinc/08/97/20/182089720.db2.gz UBASAYYWWZYIRY-UHFFFAOYSA-N -1 0 223.272 1.466 50 0 BDAARM O=C([O-])[C@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000022145828 182284083 /nfs/dbraw/zinc/28/40/83/182284083.db2.gz YIJGOMNGXUWPBP-LLVKDONJSA-N -1 0 245.234 1.835 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC000085006800 182310796 /nfs/dbraw/zinc/31/07/96/182310796.db2.gz LVABXIFXTDAADH-JGVFFNPUSA-N -1 0 223.228 1.263 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000095961765 182340301 /nfs/dbraw/zinc/34/03/01/182340301.db2.gz SHIYTWOSHQXLME-ZJUUUORDSA-N -1 0 234.255 1.065 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccnc1 ZINC000000397917 182384062 /nfs/dbraw/zinc/38/40/62/182384062.db2.gz AFWWQUGLCPAHPY-WDEREUQCSA-N -1 0 248.282 1.911 50 0 BDAARM O=C([O-])CCC(=O)c1ccc2c(c1)OCCO2 ZINC000003651466 182434809 /nfs/dbraw/zinc/43/48/09/182434809.db2.gz LMDXEMFSAHAGGP-UHFFFAOYSA-N -1 0 236.223 1.505 50 0 BDAARM O=C([O-])CCCCCNC(=O)C1CC=CC1 ZINC000082865915 182437220 /nfs/dbraw/zinc/43/72/20/182437220.db2.gz OVVWCMPUMDANRB-UHFFFAOYSA-N -1 0 225.288 1.714 50 0 BDAARM O=C([O-])COc1ccc(Br)cn1 ZINC000001732258 182470273 /nfs/dbraw/zinc/47/02/73/182470273.db2.gz XJUFARLLBCMIAD-UHFFFAOYSA-N -1 0 232.033 1.308 50 0 BDAARM O=C([O-])COCc1cc(-c2ccco2)on1 ZINC000012398235 182470609 /nfs/dbraw/zinc/47/06/09/182470609.db2.gz USFFHEAMILAGQO-UHFFFAOYSA-N -1 0 223.184 1.536 50 0 BDAARM O=C([O-])COc1ccc(N2CCCC2=O)cc1 ZINC000004218676 182471227 /nfs/dbraw/zinc/47/12/27/182471227.db2.gz ZJAZOQRDYBOLBW-UHFFFAOYSA-N -1 0 235.239 1.277 50 0 BDAARM O=C([O-])Cn1nnc(-c2ccccc2Cl)n1 ZINC000000063891 182498917 /nfs/dbraw/zinc/49/89/17/182498917.db2.gz XTEQROKRTGIKDV-UHFFFAOYSA-N -1 0 238.634 1.078 50 0 BDAARM O=C([O-])[C@@H]1Cc2ccc(OC(F)F)cc2O1 ZINC000095883655 182522889 /nfs/dbraw/zinc/52/28/89/182522889.db2.gz DIDLDTDSQLKNDU-QMMMGPOBSA-N -1 0 230.166 1.676 50 0 BDAARM O=C([O-])c1ccc(-n2cncn2)c(F)c1 ZINC000020080181 182563635 /nfs/dbraw/zinc/56/36/35/182563635.db2.gz FYAPQLBJDAVMRQ-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM O=C([O-])c1ccc(N2CCOC2=O)cc1 ZINC000020213310 182567775 /nfs/dbraw/zinc/56/77/75/182567775.db2.gz WGADDASEFFKJAJ-UHFFFAOYSA-N -1 0 207.185 1.341 50 0 BDAARM O=C([O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000002597409 182568676 /nfs/dbraw/zinc/56/86/76/182568676.db2.gz RXFRECYQSDDFRO-UHFFFAOYSA-N -1 0 205.213 1.733 50 0 BDAARM O=C([O-])c1ccc(OCCN2CCCC2=O)cc1 ZINC000004975449 182571118 /nfs/dbraw/zinc/57/11/18/182571118.db2.gz ASBZZVKNXFBYOF-UHFFFAOYSA-N -1 0 249.266 1.386 50 0 BDAARM O=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC000085652873 182571223 /nfs/dbraw/zinc/57/12/23/182571223.db2.gz KZTXIOLPGIKSOJ-UHFFFAOYSA-N -1 0 221.134 1.721 50 0 BDAARM O=C([O-])c1cnc2ccc(Cl)cn2c1=O ZINC000022175708 182590495 /nfs/dbraw/zinc/59/04/95/182590495.db2.gz JUBPXNHDNQHKKG-UHFFFAOYSA-N -1 0 224.603 1.046 50 0 BDAARM O=C([O-])c1ncn(-c2cccc(F)c2)n1 ZINC000215547924 182596442 /nfs/dbraw/zinc/59/64/42/182596442.db2.gz ZZRGWKUNFQGVSY-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)C[C@@H]1c1ccccc1 ZINC000016887603 182785408 /nfs/dbraw/zinc/78/54/08/182785408.db2.gz MRQNYXGJZLWYHT-GHMZBOCLSA-N -1 0 204.225 1.834 50 0 BDAARM Oc1[n-]c(-c2cccs2)nc2nnnc1-2 ZINC000097021077 183306684 /nfs/dbraw/zinc/30/66/84/183306684.db2.gz ICQDNRWSNUXONK-UHFFFAOYSA-N -1 0 219.229 1.182 50 0 BDAARM CCCP(=O)(CCC)Cc1nnn[n-]1 ZINC000007996887 169329031 /nfs/dbraw/zinc/32/90/31/169329031.db2.gz UYMUQHSUYVNDRB-UHFFFAOYSA-N -1 0 216.225 1.883 50 0 BDAARM CCCS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000005836800 169334069 /nfs/dbraw/zinc/33/40/69/169334069.db2.gz YQQVAQOZIVPLQU-UHFFFAOYSA-N -1 0 228.269 1.569 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)[O-] ZINC000002379441 166651618 /nfs/dbraw/zinc/65/16/18/166651618.db2.gz JWJVSDZKYYXDDN-ZCFIWIBFSA-N -1 0 201.222 1.080 50 0 in-vitro BDAARM O=C([O-])Cc1csc(-c2cnccn2)n1 ZINC000000109122 383827866 /nfs/dbraw/zinc/82/78/66/383827866.db2.gz KLAFFMMZAAUZTK-UHFFFAOYSA-N -1 0 221.241 1.227 50 0 BDAARM O=C([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000000080458 383824685 /nfs/dbraw/zinc/82/46/85/383824685.db2.gz HMKSXJBFBVGLJJ-UHFFFAOYSA-N -1 0 233.223 1.147 50 0 BDAARM O=C([O-])CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000000168538 383837916 /nfs/dbraw/zinc/83/79/16/383837916.db2.gz ZDGGJQMSELMHLK-UHFFFAOYSA-N -1 0 247.172 1.520 50 0 BDAARM O=C([O-])C1(S(=O)(=O)c2ccccc2)CC1 ZINC000000283850 383851092 /nfs/dbraw/zinc/85/10/92/383851092.db2.gz YDOBIWATTBNXMG-UHFFFAOYSA-N -1 0 226.253 1.078 50 0 BDAARM O=C([O-])CSc1n[nH]c(-c2ccco2)n1 ZINC000000285733 383851552 /nfs/dbraw/zinc/85/15/52/383851552.db2.gz DRKDHTIUTZPSCI-UHFFFAOYSA-N -1 0 225.229 1.241 50 0 BDAARM Nc1cncc(Br)c1C(=O)[O-] ZINC000088190168 383886146 /nfs/dbraw/zinc/88/61/46/383886146.db2.gz ICWQHQLOJAZOCD-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM O=C([O-])c1coc(COc2ccccc2)n1 ZINC000067770724 383893813 /nfs/dbraw/zinc/89/38/13/383893813.db2.gz GXFWHACOECCBKJ-UHFFFAOYSA-N -1 0 219.196 1.952 50 0 BDAARM Cc1cc2c(nc(C)nc2/C=C/C(=O)[O-])o1 ZINC000000209153 383905847 /nfs/dbraw/zinc/90/58/47/383905847.db2.gz KTJNHJCYJGAZCC-ONEGZZNKSA-N -1 0 218.212 1.937 50 0 biogenic BDAARM O=C([O-])C1(C(=O)N2CCc3ccccc3C2)CC1 ZINC000050290497 383994647 /nfs/dbraw/zinc/99/46/47/383994647.db2.gz DJAKLRIJFPFOMY-UHFFFAOYSA-N -1 0 245.278 1.436 50 0 BDAARM CCc1ccccc1Nc1nncc(=O)[n-]1 ZINC000008741201 383936030 /nfs/dbraw/zinc/93/60/30/383936030.db2.gz SUNWNUQFAZGXND-UHFFFAOYSA-N -1 0 216.244 1.883 50 0 BDAARM O=C([O-])CNC(=O)c1ccc(OC(F)F)cc1 ZINC000003183868 384000270 /nfs/dbraw/zinc/00/02/70/384000270.db2.gz NDKDJMUOTXPECB-UHFFFAOYSA-N -1 0 245.181 1.102 50 0 BDAARM CC(=O)c1ccc(S(=O)(=O)[O-])cc1 ZINC000002166812 383954245 /nfs/dbraw/zinc/95/42/45/383954245.db2.gz ACPXHHDRVABPNY-UHFFFAOYSA-N -1 0 200.215 1.136 50 0 BDAARM Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)[O-] ZINC000002506603 383965948 /nfs/dbraw/zinc/96/59/48/383965948.db2.gz GZBSJWBQXNCOFP-UHFFFAOYSA-N -1 0 241.247 1.465 50 0 BDAARM Cc1cc(=O)oc2ccc(C(=O)[O-])c(O)c12 ZINC000071774139 384001456 /nfs/dbraw/zinc/00/14/56/384001456.db2.gz GSPKXGDQCQDRFW-UHFFFAOYSA-N -1 0 220.180 1.505 50 0 BDAARM O=C([O-])CSCC(=O)NCc1ccccc1 ZINC000002561437 383976643 /nfs/dbraw/zinc/97/66/43/383976643.db2.gz WUAKOXVBJAJEPL-UHFFFAOYSA-N -1 0 239.296 1.121 50 0 BDAARM O=C([O-])c1ncn(-c2ccc(Cl)cc2)n1 ZINC000068675303 384008458 /nfs/dbraw/zinc/00/84/58/384008458.db2.gz NQFZERHPFJLLFU-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM O=C([O-])CCc1nc(-c2ccc(F)cc2)no1 ZINC000004218251 384047794 /nfs/dbraw/zinc/04/77/94/384047794.db2.gz BUMRHSFCLPSTJE-UHFFFAOYSA-N -1 0 236.202 1.893 50 0 BDAARM C[C@]1(C(=O)[O-])CC(c2ccccc2F)=NO1 ZINC000004512123 384063055 /nfs/dbraw/zinc/06/30/55/384063055.db2.gz FALZLFVZKITYQX-LLVKDONJSA-N -1 0 223.203 1.793 50 0 BDAARM CC(C)(C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC000115046514 384068041 /nfs/dbraw/zinc/06/80/41/384068041.db2.gz MUKRDMBDOQOSSD-UHFFFAOYSA-N -1 0 224.216 1.130 50 0 BDAARM O=C([O-])CCCC(=O)NCc1cccs1 ZINC000004784111 384080877 /nfs/dbraw/zinc/08/08/77/384080877.db2.gz FGXQRFQLRCKSSS-UHFFFAOYSA-N -1 0 227.285 1.619 50 0 BDAARM O=C([O-])C[C@H]1CCC(=O)N1c1ccccc1 ZINC000039320481 384111922 /nfs/dbraw/zinc/11/19/22/384111922.db2.gz ZQJITILATBGICR-SNVBAGLBSA-N -1 0 219.240 1.657 50 0 BDAARM CC(=O)c1ccc2c(O)c(C(=O)[O-])cnc2c1 ZINC000005386320 384111974 /nfs/dbraw/zinc/11/19/74/384111974.db2.gz LPSWUKNDSMXKRO-UHFFFAOYSA-N -1 0 231.207 1.429 50 0 BDAARM O=C([O-])Cn1nc(-c2ccccc2F)ccc1=O ZINC000040162889 384128067 /nfs/dbraw/zinc/12/80/67/384128067.db2.gz MGOZUNGNTOKFBX-UHFFFAOYSA-N -1 0 248.213 1.134 50 0 BDAARM O=C([O-])c1nc[nH]c1C(=O)c1ccccc1 ZINC000005819194 384132413 /nfs/dbraw/zinc/13/24/13/384132413.db2.gz XQMLPKHBEYBLNT-UHFFFAOYSA-N -1 0 216.196 1.339 50 0 BDAARM O=C([O-])c1noc(Cc2ccccc2)n1 ZINC000071047823 384147843 /nfs/dbraw/zinc/14/78/43/384147843.db2.gz KQBWXWIVZOMWJJ-UHFFFAOYSA-N -1 0 204.185 1.359 50 0 BDAARM O=C([O-])CN1c2ccccc2CCCC1=O ZINC000006750937 384167245 /nfs/dbraw/zinc/16/72/45/384167245.db2.gz SSZGBLVNQOUFFH-UHFFFAOYSA-N -1 0 219.240 1.441 50 0 BDAARM Cn1cc(Nc2cccc(C(=O)[O-])c2)cn1 ZINC000071790270 384179782 /nfs/dbraw/zinc/17/97/82/384179782.db2.gz PHRNVQSPHLGFID-UHFFFAOYSA-N -1 0 217.228 1.862 50 0 BDAARM O=C([O-])/C=C/c1cc2ccc(F)cc2[nH]c1=O ZINC000011981684 384223304 /nfs/dbraw/zinc/22/33/04/384223304.db2.gz KTEBLVIZFHGPQO-DUXPYHPUSA-N -1 0 233.198 1.765 50 0 BDAARM O=C([O-])CSc1nc(Cl)nc2[nH]cnc21 ZINC000009421454 384248900 /nfs/dbraw/zinc/24/89/00/384248900.db2.gz XZCUUXJOTYMZCO-UHFFFAOYSA-N -1 0 244.663 1.183 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccncc1 ZINC000097018237 384284432 /nfs/dbraw/zinc/28/44/32/384284432.db2.gz CGYITHLPAMWFRB-GFCCVEGCSA-N -1 0 236.271 1.455 50 0 BDAARM O=C([O-])[C@H]1CNc2cc(Cl)ccc2O1 ZINC000075422855 384324369 /nfs/dbraw/zinc/32/43/69/384324369.db2.gz ZVDAUGDLMLQGFD-MRVPVSSYSA-N -1 0 213.620 1.598 50 0 BDAARM CC(=O)N[C@@H](C(=O)[O-])c1cc(C)ccc1C ZINC000077331766 384402536 /nfs/dbraw/zinc/40/25/36/384402536.db2.gz ZVTVZUHLTRIXTO-LLVKDONJSA-N -1 0 221.256 1.565 50 0 BDAARM COc1c(Cl)ccnc1CN(C)CC(=O)[O-] ZINC000095704866 384391343 /nfs/dbraw/zinc/39/13/43/384391343.db2.gz UTKHCSDLMAQYMS-UHFFFAOYSA-N -1 0 244.678 1.260 50 0 BDAARM CC1(C)[C@H](C(=O)Nc2nccs2)[C@@H]1C(=O)[O-] ZINC000079124160 384485049 /nfs/dbraw/zinc/48/50/49/384485049.db2.gz LYWNCSZRGOAWHN-NTSWFWBYSA-N -1 0 240.284 1.438 50 0 BDAARM CC(C)[C@@H]1C=CCN1C(=O)c1[nH]cnc1C(=O)[O-] ZINC000097272375 384505968 /nfs/dbraw/zinc/50/59/68/384505968.db2.gz HQGZBPIUIQIOMN-QMMMGPOBSA-N -1 0 249.270 1.145 50 0 BDAARM O=C([O-])CCCNC(=S)Nc1ccccc1 ZINC000002013248 384508712 /nfs/dbraw/zinc/50/87/12/384508712.db2.gz HIYGZSRCXXKCOZ-UHFFFAOYSA-N -1 0 238.312 1.838 50 0 BDAARM O=C([O-])C[C@H]1C(=O)Nc2cc(F)ccc21 ZINC000019093633 384509718 /nfs/dbraw/zinc/50/97/18/384509718.db2.gz KKGBSHPZFPPKHD-SSDOTTSWSA-N -1 0 209.176 1.336 50 0 BDAARM C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)[O-] ZINC000095399532 384521568 /nfs/dbraw/zinc/52/15/68/384521568.db2.gz DFRQHENAEICHIU-MRVPVSSYSA-N -1 0 223.247 1.829 50 0 BDAARM O=S(=O)([O-])c1cnn(-c2ccccc2)c1 ZINC000097756677 384554617 /nfs/dbraw/zinc/55/46/17/384554617.db2.gz BQVACEVGBYODQL-UHFFFAOYSA-N -1 0 224.241 1.119 50 0 BDAARM O=C([O-])COc1ccc2c(c1)OCCCO2 ZINC000098063981 384587637 /nfs/dbraw/zinc/58/76/37/384587637.db2.gz MNKMAXRAIVNCOR-UHFFFAOYSA-N -1 0 224.212 1.311 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1COCc1ccccc1 ZINC000098181757 384602683 /nfs/dbraw/zinc/60/26/83/384602683.db2.gz FYOFPRGAVPMDRY-QWRGUYRKSA-N -1 0 206.241 1.924 50 0 BDAARM CCOc1ccc2[n-]c(C(=O)OC)cc(=O)c2c1 ZINC000098212442 384605150 /nfs/dbraw/zinc/60/51/50/384605150.db2.gz IMSQMUNVQFYCPF-UHFFFAOYSA-N -1 0 247.250 1.713 50 0 BDAARM COc1cc(C(=O)[O-])c(F)c(F)c1C ZINC000098210786 384605642 /nfs/dbraw/zinc/60/56/42/384605642.db2.gz TUROBCVVJCQNJG-UHFFFAOYSA-N -1 0 202.156 1.980 50 0 BDAARM O=C([O-])Cc1cc(-c2ccccc2)on1 ZINC000020270411 384609095 /nfs/dbraw/zinc/60/90/95/384609095.db2.gz FMDCMDNXXSWGCB-UHFFFAOYSA-N -1 0 203.197 1.969 50 0 BDAARM O=C([O-])[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000100236173 384626072 /nfs/dbraw/zinc/62/60/72/384626072.db2.gz VCQNFTHBRZIIOF-LLVKDONJSA-N -1 0 233.267 1.162 50 0 BDAARM Cc1nc(Br)oc1C(=O)[O-] ZINC000084305946 384664689 /nfs/dbraw/zinc/66/46/89/384664689.db2.gz PSVNMFHDKLSEMC-UHFFFAOYSA-N -1 0 205.995 1.444 50 0 BDAARM CCCc1nn2c([n-]1)nc(CCC)cc2=O ZINC000101402944 384672074 /nfs/dbraw/zinc/67/20/74/384672074.db2.gz XYPHCUSODHBGFU-UHFFFAOYSA-N -1 0 220.276 1.323 50 0 BDAARM O=C([O-])C[C@@H]1CC(=O)Nc2ccccc21 ZINC000057938127 384746249 /nfs/dbraw/zinc/74/62/49/384746249.db2.gz NNHOCNIVPRRFFB-ZETCQYMHSA-N -1 0 205.213 1.587 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccncc1 ZINC000155797892 384766593 /nfs/dbraw/zinc/76/65/93/384766593.db2.gz FBSGPNDDYCXGHE-LLVKDONJSA-N -1 0 248.282 1.090 50 0 BDAARM O=C([O-])c1cccc(CNC(=O)C2CC=CC2)c1 ZINC000085159729 384769098 /nfs/dbraw/zinc/76/90/98/384769098.db2.gz NBPHMPUEAXOKGU-UHFFFAOYSA-N -1 0 245.278 1.967 50 0 BDAARM Nc1nc(C2CCCC2)ncc1C(=O)[O-] ZINC000083986559 384824623 /nfs/dbraw/zinc/82/46/23/384824623.db2.gz XVHAGZGVAMSNJA-UHFFFAOYSA-N -1 0 207.233 1.415 50 0 BDAARM C/C(=C/C(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000583652301 384866149 /nfs/dbraw/zinc/86/61/49/384866149.db2.gz DTVHFHGCZCDNQW-GXMKHXEJSA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])[C@H]1CCN(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000583652277 384867046 /nfs/dbraw/zinc/86/70/46/384867046.db2.gz LAXCKBIDZNACDF-NSHDSACASA-N -1 0 249.310 1.666 50 0 BDAARM CC(C(=O)N1CC[C@H](C(=O)[O-])C1)=C1CCCC1 ZINC000178271083 384895815 /nfs/dbraw/zinc/89/58/15/384895815.db2.gz ANBDPUDXRIACFR-NSHDSACASA-N -1 0 237.299 1.810 50 0 BDAARM O=C([O-])CCC(=O)C(=O)Nc1ccccc1 ZINC000034267448 385126810 /nfs/dbraw/zinc/12/68/10/385126810.db2.gz UKSRRIXFADMRAO-UHFFFAOYSA-N -1 0 221.212 1.059 50 0 BDAARM Nc1cc(C(=O)[O-])cc(C(F)(F)F)n1 ZINC000095761244 385186887 /nfs/dbraw/zinc/18/68/87/385186887.db2.gz WUSDNQRKIXQIQG-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM Cc1cn2c(CCC(=O)[O-])csc2n1 ZINC000061968125 385146692 /nfs/dbraw/zinc/14/66/92/385146692.db2.gz SGNBWZKMIADADR-UHFFFAOYSA-N -1 0 210.258 1.721 50 0 BDAARM O=C([O-])Cc1cc(=O)[nH]c(C(F)(F)F)c1 ZINC000095762036 385207808 /nfs/dbraw/zinc/20/78/08/385207808.db2.gz GWNPTEUJCQXVNX-UHFFFAOYSA-N -1 0 221.134 1.433 50 0 BDAARM Cc1c(Cl)cccc1Nc1nc(=O)cn[n-]1 ZINC000008914355 385306512 /nfs/dbraw/zinc/30/65/12/385306512.db2.gz SCWOCTIXCLXINK-UHFFFAOYSA-N -1 0 236.662 1.870 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccnc2)C1 ZINC000062912631 385620131 /nfs/dbraw/zinc/62/01/31/385620131.db2.gz WWIRIGOSOZCPQP-LBPRGKRZSA-N -1 0 234.255 1.018 50 0 BDAARM CCCC[C@H](COC)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262377221 385688381 /nfs/dbraw/zinc/68/83/81/385688381.db2.gz HRBZRHKMXRDYKY-OPRDCNLKSA-N -1 0 243.303 1.029 50 0 BDAARM CC[C@@H](NC(=O)/C=C(\C)C1CC1)C(=O)[O-] ZINC000221725577 385693374 /nfs/dbraw/zinc/69/33/74/385693374.db2.gz VRSXMRBHJRERQP-XCODYQFDSA-N -1 0 211.261 1.322 50 0 BDAARM CCN(CCC(=O)[O-])C(=O)Cc1cccc(C)c1 ZINC000052127542 385700047 /nfs/dbraw/zinc/70/00/47/385700047.db2.gz DKRFQXBRMBUHOW-UHFFFAOYSA-N -1 0 249.310 1.861 50 0 BDAARM COc1c(C)cc(C)cc1CN1CC[C@H]1C(=O)[O-] ZINC000215832649 385851657 /nfs/dbraw/zinc/85/16/57/385851657.db2.gz IHZVICUZHYJTJR-LBPRGKRZSA-N -1 0 249.310 1.971 50 0 BDAARM C[C@@H](NC(=O)CCC1CCCC1)C(=O)[O-] ZINC000022223029 385899355 /nfs/dbraw/zinc/89/93/55/385899355.db2.gz DDESLMXTQUNWAW-MRVPVSSYSA-N -1 0 213.277 1.546 50 0 BDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2cccs2)C1 ZINC000012321279 385877376 /nfs/dbraw/zinc/87/73/76/385877376.db2.gz KRINJFULNFBUCR-ZETCQYMHSA-N -1 0 248.267 1.323 50 0 BDAARM Cc1ocnc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000128579946 386017837 /nfs/dbraw/zinc/01/78/37/386017837.db2.gz QOULEQLHUMBNOO-MRVPVSSYSA-N -1 0 238.243 1.062 50 0 BDAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)[C@@H]1CC=CCC1 ZINC000222008971 386032317 /nfs/dbraw/zinc/03/23/17/386032317.db2.gz UUGOCQMJSOULBZ-OTVCUZDGSA-N -1 0 243.328 1.507 50 0 BDAARM O=C([O-])c1ccc(OC(F)F)c(F)n1 ZINC000263623447 386157868 /nfs/dbraw/zinc/15/78/68/386157868.db2.gz HODOIESJGHSESG-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM C[C@H](CN(C)C(=O)C1C(C)(C)C1(C)C)C(=O)[O-] ZINC000091482017 386300910 /nfs/dbraw/zinc/30/09/10/386300910.db2.gz CDEAVVHLASQXQQ-MRVPVSSYSA-N -1 0 241.331 1.848 50 0 BDAARM O=C([O-])c1n[nH]nc1Nc1ccccc1F ZINC000096517200 386605884 /nfs/dbraw/zinc/60/58/84/386605884.db2.gz QTYHKFCSHFQRAH-UHFFFAOYSA-N -1 0 222.179 1.386 50 0 BDAARM CC[C@H](NC(=O)c1ccc(F)c(C)c1)C(=O)[O-] ZINC000063055405 386658151 /nfs/dbraw/zinc/65/81/51/386658151.db2.gz NKRHUKPYYYHPEI-JTQLQIEISA-N -1 0 239.246 1.727 50 0 BDAARM CSc1nn2c([n-]1)nc(C(C)C)cc2=O ZINC000100137540 386755540 /nfs/dbraw/zinc/75/55/40/386755540.db2.gz KDTWHCQLOISGAO-UHFFFAOYSA-N -1 0 224.289 1.263 50 0 BDAARM O=C([O-])Cc1ccc2c(ccc[n+]2[O-])c1 ZINC000032501201 386927917 /nfs/dbraw/zinc/92/79/17/386927917.db2.gz IVPJFFYINWYXGN-UHFFFAOYSA-N -1 0 203.197 1.100 50 0 BDAARM Nc1c(Br)ccc(F)c1C(=O)[O-] ZINC000087619823 386965879 /nfs/dbraw/zinc/96/58/79/386965879.db2.gz HJDCTDZGTGANJF-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM C/C=C/C=C/C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000094554630 387295369 /nfs/dbraw/zinc/29/53/69/387295369.db2.gz NCCJOCSSYONADY-MQQKCMAXSA-N -1 0 235.239 1.726 50 0 BDAARM Cc1cc(C)cc(N2CC[C@@H](C(=O)[O-])C2=O)c1 ZINC000011890873 177905957 /nfs/dbraw/zinc/90/59/57/177905957.db2.gz BSPQNSXDZAYSLO-LLVKDONJSA-N -1 0 233.267 1.741 50 0 BDAARM O=C([O-])Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 ZINC000001884607 388024420 /nfs/dbraw/zinc/02/44/20/388024420.db2.gz PORLDZNHGKQNJP-AATRIKPKSA-N -1 0 246.222 1.973 50 0 BDAARM C[C@@H](CN(C(=O)c1ccco1)C1CC1)C(=O)[O-] ZINC000071730725 388111493 /nfs/dbraw/zinc/11/14/93/388111493.db2.gz ZOHPUDPFTRRSHB-QMMMGPOBSA-N -1 0 237.255 1.605 50 0 BDAARM O=C([O-])CCN1CSCCSC1 ZINC000521399424 256515882 /nfs/dbraw/zinc/51/58/82/256515882.db2.gz FWHVJOSGGQASTK-UHFFFAOYSA-N -1 0 207.320 1.158 50 0 BDAARM CCOCCN(C[C@H](C)C(=O)[O-])C(=O)C(C)C ZINC000089986963 388379258 /nfs/dbraw/zinc/37/92/58/388379258.db2.gz SXFOXJDBPAYBBD-JTQLQIEISA-N -1 0 245.319 1.228 50 0 BDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccnc1Cl ZINC000195541805 388479277 /nfs/dbraw/zinc/47/92/77/388479277.db2.gz ZDPUYGWGPQYPGU-ZCFIWIBFSA-N -1 0 242.662 1.280 50 0 BDAARM CCCCOC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000071618862 388508892 /nfs/dbraw/zinc/50/88/92/388508892.db2.gz YSJDCYTYDTYLJP-QMMMGPOBSA-N -1 0 215.249 1.376 50 0 BDAARM CS(=O)(=O)C=C([O-])c1ccccc1Cl ZINC000001400532 388573045 /nfs/dbraw/zinc/57/30/45/388573045.db2.gz KYFMGWNHBLQBQJ-UHFFFAOYSA-N -1 0 232.688 1.567 50 0 BDAARM O=C([O-])CCN1CCn2c3ccccc3nc21 ZINC000195750680 388582654 /nfs/dbraw/zinc/58/26/54/388582654.db2.gz IINTYEYRMBVMIW-UHFFFAOYSA-N -1 0 231.255 1.331 50 0 biogenic BDAARM O=C([O-])CCc1noc(-c2ccccc2)n1 ZINC000019682318 388745147 /nfs/dbraw/zinc/74/51/47/388745147.db2.gz CTMHSXDEWAAOKE-UHFFFAOYSA-N -1 0 218.212 1.754 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000095970388 388797639 /nfs/dbraw/zinc/79/76/39/388797639.db2.gz OTCUXKPIRZVVSN-KXUCPTDWSA-N -1 0 227.304 1.792 50 0 BDAARM Cn1[n-]c(=S)sc1=NCc1ccccc1 ZINC000254483050 388779115 /nfs/dbraw/zinc/77/91/15/388779115.db2.gz OEFRFEJBTZCUGH-UHFFFAOYSA-N -1 0 237.353 1.871 50 0 BDAARM O=C([O-])[C@H]1CCCN(c2nccnc2Cl)C1 ZINC000045918611 132355071 /nfs/dbraw/zinc/35/50/71/132355071.db2.gz LUDPEYNHVHSUTJ-ZETCQYMHSA-N -1 0 241.678 1.431 50 0 BDAARM O=C([O-])c1cccc(N2C(=O)CCCC2=O)c1 ZINC000006220734 132317879 /nfs/dbraw/zinc/31/78/79/132317879.db2.gz BTLKYUBOPCHMBG-UHFFFAOYSA-N -1 0 233.223 1.428 50 0 BDAARM C[C@H]1Oc2ccccc2N(CCC(=O)[O-])C1=O ZINC000005721847 132317987 /nfs/dbraw/zinc/31/79/87/132317987.db2.gz ZMECKMNNIPMEET-MRVPVSSYSA-N -1 0 235.239 1.275 50 0 BDAARM C[C@@H]1CN(C(=O)CCC(=O)[O-])c2ccccc2O1 ZINC000006751607 132318440 /nfs/dbraw/zinc/31/84/40/132318440.db2.gz JPBFQXDKURXXSB-SECBINFHSA-N -1 0 249.266 1.665 50 0 BDAARM CN1C(=O)CCc2ccc(C(=O)[O-])cc21 ZINC000039105360 132350719 /nfs/dbraw/zinc/35/07/19/132350719.db2.gz VLPYYBGMMSTXGL-UHFFFAOYSA-N -1 0 205.213 1.294 50 0 BDAARM Cc1n[n-]c(N2CCc3ccccc3C2)nc1=O ZINC000008578995 132443184 /nfs/dbraw/zinc/44/31/84/132443184.db2.gz CDJXMBZQPMGPNN-UHFFFAOYSA-N -1 0 242.282 1.036 50 0 BDAARM CC(C)n1nccc1[C@@H]1OCC[C@H]1C(=O)[O-] ZINC000238850613 135078517 /nfs/dbraw/zinc/07/85/17/135078517.db2.gz BZVRXMZLTBGXOZ-PSASIEDQSA-N -1 0 224.260 1.626 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)c1cccs1)C1CC1 ZINC000261591754 135232746 /nfs/dbraw/zinc/23/27/46/135232746.db2.gz VOJYBZUZEOHOCN-SSDOTTSWSA-N -1 0 239.296 1.826 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@H]1CC=CCC1)C1CC1 ZINC000262439702 135299434 /nfs/dbraw/zinc/29/94/34/135299434.db2.gz NSJFJLPLPIHRLP-UWVGGRQHSA-N -1 0 237.299 1.807 50 0 BDAARM C[C@H](CN(C)C(=O)[C@]1(C)CC1(F)F)C(=O)[O-] ZINC000263189972 135338888 /nfs/dbraw/zinc/33/88/88/135338888.db2.gz LCPZARDCDPATOM-MUWHJKNJSA-N -1 0 235.230 1.211 50 0 BDAARM CCc1ccc(O)c(NC(=O)[C@@H](C)C(=O)[O-])c1 ZINC000263542140 135358830 /nfs/dbraw/zinc/35/88/30/135358830.db2.gz DMALSZIKMBFRNM-SSDOTTSWSA-N -1 0 237.255 1.614 50 0 BDAARM C[C@@](O)(CNc1ncc(Cl)cc1F)C(=O)[O-] ZINC000263547997 135359404 /nfs/dbraw/zinc/35/94/04/135359404.db2.gz IMVLRXGADWPQPO-SECBINFHSA-N -1 0 248.641 1.122 50 0 BDAARM Cc1cc(N(C)C[C@@H](C)C(=O)[O-])nc(C2CC2)n1 ZINC000263548537 135359505 /nfs/dbraw/zinc/35/95/05/135359505.db2.gz IYTKCURLPFULFK-MRVPVSSYSA-N -1 0 249.314 1.819 50 0 BDAARM O=C([O-])CCNC(=O)CCCc1ccccc1 ZINC000020205694 398016650 /nfs/dbraw/zinc/01/66/50/398016650.db2.gz DTDSOEMEZRAZFO-UHFFFAOYSA-N -1 0 235.283 1.600 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC000210749809 398099822 /nfs/dbraw/zinc/09/98/22/398099822.db2.gz MJQHNBXBMIPISF-OMMCCPJFSA-N -1 0 249.266 1.616 50 0 BDAARM CNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000070007075 398122369 /nfs/dbraw/zinc/12/23/69/398122369.db2.gz WHJOAYBSESCLDS-UHFFFAOYSA-N -1 0 223.257 1.740 50 0 BDAARM CC(C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000371343 167083840 /nfs/dbraw/zinc/08/38/40/167083840.db2.gz JCMHNFKSHATAGJ-IUCAKERBSA-N -1 0 211.261 1.178 50 0 BDAARM CCCCCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000048733240 409831820 /nfs/dbraw/zinc/83/18/20/409831820.db2.gz WOZVOAHUJUJUNW-MRVPVSSYSA-N -1 0 240.307 1.187 50 0 BDAARM CC(C)(C)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000000470953 166617469 /nfs/dbraw/zinc/61/74/69/166617469.db2.gz AWVHOQGJASRAKQ-UHFFFAOYSA-N -1 0 228.292 1.291 50 0 BDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CC1 ZINC000000057220 166659402 /nfs/dbraw/zinc/65/94/02/166659402.db2.gz DSKCOVBHIFAJRI-UHFFFAOYSA-N -1 0 201.222 1.128 50 0 BDAARM CC(C)(C)OC(=O)NC(C)(C)C(=O)[O-] ZINC000002168674 166659409 /nfs/dbraw/zinc/65/94/09/166659409.db2.gz MFNXWZGIFWJHMI-UHFFFAOYSA-N -1 0 203.238 1.374 50 0 BDAARM CC(C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000003374967 167130274 /nfs/dbraw/zinc/13/02/74/167130274.db2.gz PBAHLISBEZVUFP-UHFFFAOYSA-N -1 0 243.284 1.072 50 0 BDAARM CC(C)OCC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000124876871 167179044 /nfs/dbraw/zinc/17/90/44/167179044.db2.gz RMZKTOASPMWSQK-UHFFFAOYSA-N -1 0 243.303 1.125 50 0 BDAARM CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)[O-] ZINC000012382010 167423985 /nfs/dbraw/zinc/42/39/85/167423985.db2.gz XYLGNAIAXWHHNJ-SNVBAGLBSA-N -1 0 227.304 1.792 50 0 BDAARM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)[O-] ZINC000000185623 167428898 /nfs/dbraw/zinc/42/88/98/167428898.db2.gz SGPKMOKGOBWXPC-MRVPVSSYSA-N -1 0 211.217 1.119 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000105756077 411070727 /nfs/dbraw/zinc/07/07/27/411070727.db2.gz ZQGGISHTBSBBQS-YUSALJHKSA-N -1 0 247.294 1.975 50 0 BDAARM CC(C)c1ncc(Cl)c(C(=O)[O-])n1 ZINC000039947535 167685567 /nfs/dbraw/zinc/68/55/67/167685567.db2.gz DRMCXNXIJDQDQF-UHFFFAOYSA-N -1 0 200.625 1.952 50 0 BDAARM CC(F)(F)COc1ccc(C(=O)[O-])cn1 ZINC000142540105 167817632 /nfs/dbraw/zinc/81/76/32/167817632.db2.gz LQMPOYYMWCQUPN-UHFFFAOYSA-N -1 0 217.171 1.814 50 0 BDAARM Cc1cc(CN2CCC[C@@]2(C)C(=O)[O-])nn1C ZINC000652481448 411252428 /nfs/dbraw/zinc/25/24/28/411252428.db2.gz PDFPTZFGAYDTIR-LBPRGKRZSA-N -1 0 237.303 1.168 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(O)cc1 ZINC000071288833 168005137 /nfs/dbraw/zinc/00/51/37/168005137.db2.gz JWXIYPMKGVLRTJ-UWVGGRQHSA-N -1 0 249.266 1.688 50 0 BDAARM CCC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000057496879 168212792 /nfs/dbraw/zinc/21/27/92/168212792.db2.gz HHQHKDSRAJMRHU-UHFFFAOYSA-N -1 0 213.277 1.642 50 0 BDAARM CCC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000003162999 168256263 /nfs/dbraw/zinc/25/62/63/168256263.db2.gz FBTYYZZUMRUNGH-UHFFFAOYSA-N -1 0 208.213 1.743 50 0 BDAARM CCNC(=O)CSc1ccccc1C(=O)[O-] ZINC000012940506 170069649 /nfs/dbraw/zinc/06/96/49/170069649.db2.gz HNNBLFQQOBKKFY-UHFFFAOYSA-N -1 0 239.296 1.613 50 0 BDAARM CCOC(=O)C([O-])=C1C(=O)Nc2ccccc21 ZINC000100207534 170182470 /nfs/dbraw/zinc/18/24/70/170182470.db2.gz UTNOKZCEOOZUHP-KTKRTIGZSA-N -1 0 233.223 1.471 50 0 BDAARM CCOC(=O)C=C([O-])c1ccc(O)cc1 ZINC000036719635 170197008 /nfs/dbraw/zinc/19/70/08/170197008.db2.gz QEQMMCZMNDJJFX-UHFFFAOYSA-N -1 0 208.213 1.528 50 0 BDAARM CCOC(=O)CCCCCCC(=O)[O-] ZINC000002560493 170198753 /nfs/dbraw/zinc/19/87/53/170198753.db2.gz KCFVQEAPUOVXTH-UHFFFAOYSA-N -1 0 202.250 1.975 50 0 BDAARM CCOc1cc(C=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000005958804 170521364 /nfs/dbraw/zinc/52/13/64/170521364.db2.gz SQWDGIFPMCHJMH-QMMMGPOBSA-N -1 0 238.239 1.750 50 0 BDAARM CC[C@@H]1CN(C(=O)OC(C)(C)C)C([O-])=CC1=O ZINC000081990544 171066955 /nfs/dbraw/zinc/06/69/55/171066955.db2.gz KNXSCLVWCAEWDH-MRVPVSSYSA-N -1 0 241.287 1.749 50 0 BDAARM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)[O-] ZINC000019487807 171248995 /nfs/dbraw/zinc/24/89/95/171248995.db2.gz ZGNBKHDSWBUSTG-BQBZGAKWSA-N -1 0 217.290 1.019 50 0 BDAARM CC[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000022220594 171253548 /nfs/dbraw/zinc/25/35/48/171253548.db2.gz MFVGNVWWWJGWNR-CMPLNLGQSA-N -1 0 249.310 1.845 50 0 BDAARM CC[C@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005159843 171330313 /nfs/dbraw/zinc/33/03/13/171330313.db2.gz GQSHCXPRESFZAS-IUCAKERBSA-N -1 0 230.308 1.583 50 0 BDAARM CC[C@H](Sc1ncnc2[nH]cnc21)C(=O)[O-] ZINC000005349662 171595572 /nfs/dbraw/zinc/59/55/72/171595572.db2.gz BCTOBILDXLCSIP-YFKPBYRVSA-N -1 0 238.272 1.308 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ncoc1C ZINC000097035677 171690444 /nfs/dbraw/zinc/69/04/44/171690444.db2.gz OMHNGCFKXBFDTN-LLVKDONJSA-N -1 0 240.259 1.356 50 0 BDAARM CCN(C(=O)Cc1cccs1)[C@H](C)C(=O)[O-] ZINC000663123517 412385894 /nfs/dbraw/zinc/38/58/94/412385894.db2.gz GQPWLTXLGFOSHR-MRVPVSSYSA-N -1 0 241.312 1.612 50 0 BDAARM CCn1cc(C(=O)[O-])c(=O)c2c(C)nc(C)nc21 ZINC000000392069 172156982 /nfs/dbraw/zinc/15/69/82/172156982.db2.gz BEKJAQOJVTVZMG-UHFFFAOYSA-N -1 0 247.254 1.126 50 0 BDAARM CCn1cnc2oc(C)c(C(=O)[O-])c2c1=O ZINC000026442207 172233935 /nfs/dbraw/zinc/23/39/35/172233935.db2.gz UNZNYFNDJADMFS-UHFFFAOYSA-N -1 0 222.200 1.016 50 0 BDAARM COC(=O)c1ccc([O-])c(Br)n1 ZINC000019911429 173885956 /nfs/dbraw/zinc/88/59/56/173885956.db2.gz GAVHSGPZDJCNDR-UHFFFAOYSA-N -1 0 232.033 1.336 50 0 BDAARM COCCCOc1cccc(C(=O)[O-])c1 ZINC000008731423 174256646 /nfs/dbraw/zinc/25/66/46/174256646.db2.gz FOKGDEBXXPPCHS-UHFFFAOYSA-N -1 0 210.229 1.800 50 0 BDAARM COc1ccc(/C=C/C(=O)[O-])c(OC)c1OC ZINC000000153644 175047637 /nfs/dbraw/zinc/04/76/37/175047637.db2.gz ZYOPDNLIHHFGEC-FNORWQNLSA-N -1 0 238.239 1.810 50 0 endogenous,in-man BDAARM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000000494194 175056010 /nfs/dbraw/zinc/05/60/10/175056010.db2.gz XWAWBHSLAXRYRN-LLVKDONJSA-N -1 0 249.266 1.384 50 0 BDAARM COc1ccc(C(=O)[O-])cc1Cn1cc(C)cn1 ZINC000006658179 175064537 /nfs/dbraw/zinc/06/45/37/175064537.db2.gz DEHJXUCBZZGBSA-UHFFFAOYSA-N -1 0 246.266 1.947 50 0 BDAARM COc1ccc(C)cc1[C@H]1OC(=O)[N-]C1=O ZINC000027863237 175082857 /nfs/dbraw/zinc/08/28/57/175082857.db2.gz XDJKQMRTOMCOJX-SECBINFHSA-N -1 0 221.212 1.311 50 0 BDAARM COc1ccc(NCCCC(=O)[O-])cc1 ZINC000019408334 175151191 /nfs/dbraw/zinc/15/11/91/175151191.db2.gz LXPFLIUKOLTAIJ-UHFFFAOYSA-N -1 0 209.245 1.972 50 0 BDAARM COc1ccc([C@@H](O)[C@@H](C)C(=O)[O-])cc1 ZINC000034410545 175181172 /nfs/dbraw/zinc/18/11/72/175181172.db2.gz YNFBEQICUMUBDQ-XCBNKYQSSA-N -1 0 210.229 1.449 50 0 BDAARM COc1ccc2[nH]cc(CC(=O)[O-])c2c1 ZINC000000057162 175202791 /nfs/dbraw/zinc/20/27/91/175202791.db2.gz COCNDHOPIHDTHK-UHFFFAOYSA-N -1 0 205.213 1.804 50 0 endogenous,in-man BDAARM COc1ccc2c(=O)ccn(CC(=O)[O-])c2c1 ZINC000053994651 175203675 /nfs/dbraw/zinc/20/36/75/175203675.db2.gz MXJVHMZCTXPSFP-UHFFFAOYSA-N -1 0 233.223 1.095 50 0 biogenic BDAARM COc1ccc2c(c1)C(=O)O[C@H]2CC(=O)[O-] ZINC000004348668 175207188 /nfs/dbraw/zinc/20/71/88/175207188.db2.gz ZPIAUPQATODINZ-VIFPVBQESA-N -1 0 222.196 1.381 50 0 BDAARM COc1cccc(Cn2cc(C(=O)[O-])nn2)c1 ZINC000050213491 175273221 /nfs/dbraw/zinc/27/32/21/175273221.db2.gz NMUDGZSNGDOAGN-UHFFFAOYSA-N -1 0 233.227 1.033 50 0 BDAARM COc1cccc(OC(C)(C)C(=O)[O-])c1 ZINC000002557835 175280534 /nfs/dbraw/zinc/28/05/34/175280534.db2.gz QJUAQHVOCKJYLS-UHFFFAOYSA-N -1 0 210.229 1.937 50 0 BDAARM COc1ccccc1Nc1nncc(=O)[n-]1 ZINC000008744292 175339743 /nfs/dbraw/zinc/33/97/43/175339743.db2.gz IDCZGLGOTGDOCH-UHFFFAOYSA-N -1 0 218.216 1.329 50 0 BDAARM CSCC[C@H](Nc1ncccn1)C(=O)[O-] ZINC000031775780 175507630 /nfs/dbraw/zinc/50/76/30/175507630.db2.gz NVBBOWJRDCEIAQ-ZETCQYMHSA-N -1 0 227.289 1.095 50 0 biogenic BDAARM C[C@@H](OCCOc1ccccc1)C(=O)[O-] ZINC000019481599 176002342 /nfs/dbraw/zinc/00/23/42/176002342.db2.gz VYMWHOXHPAMUTR-SECBINFHSA-N -1 0 210.229 1.555 50 0 BDAARM C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)[O-])[C@@H]1C ZINC000004601944 176120524 /nfs/dbraw/zinc/12/05/24/176120524.db2.gz IVWRIOWFEJWQBO-OPRDCNLKSA-N -1 0 227.304 1.792 50 0 BDAARM C[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000032098872 176359623 /nfs/dbraw/zinc/35/96/23/176359623.db2.gz MXKSXPYZNXUHEZ-SFYZADRCSA-N -1 0 229.276 1.717 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)NC(C)(C)C ZINC000002833040 176601056 /nfs/dbraw/zinc/60/10/56/176601056.db2.gz ZAZKMKAXIQYBHH-ZETCQYMHSA-N -1 0 201.266 1.402 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)[C@H](C)Cc1ccccc1 ZINC000095970361 176602261 /nfs/dbraw/zinc/60/22/61/176602261.db2.gz SZKJSCXJBNZRNA-GHMZBOCLSA-N -1 0 249.310 1.845 50 0 BDAARM C[C@H](NC(=O)CO[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000237547296 176793178 /nfs/dbraw/zinc/79/31/78/176793178.db2.gz ZEFLAYZRCCYHTE-GUBZILKMSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H](c1ccccc1)N1C[C@@H](C(=O)[O-])CC1=O ZINC000000128963 177039901 /nfs/dbraw/zinc/03/99/01/177039901.db2.gz CFGKWSDAMXTRHE-KOLCDFICSA-N -1 0 233.267 1.681 50 0 BDAARM C[C@H](c1ccco1)N(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262580694 177048220 /nfs/dbraw/zinc/04/82/20/177048220.db2.gz FNHDGYKMKZFUKI-HRDYMLBCSA-N -1 0 237.255 1.520 50 0 BDAARM C[C@H]1C[C@H](NC(=O)/C=C/C(=O)[O-])CC(C)(C)C1 ZINC000001045033 177366834 /nfs/dbraw/zinc/36/68/34/177366834.db2.gz VJVRSOGEUWANMN-AWAZDUCLSA-N -1 0 239.315 1.958 50 0 BDAARM O=C([N-][C@H]1CCCCC1=O)C(F)(F)F ZINC000253179928 487856769 /nfs/dbraw/zinc/85/67/69/487856769.db2.gz CKJGDJAUGAQYLT-YFKPBYRVSA-N -1 0 209.167 1.177 50 0 BDAARM C[C@H](Oc1ccccc1-c1cn[nH]c1)C(=O)[O-] ZINC000534581220 323153821 /nfs/dbraw/zinc/15/38/21/323153821.db2.gz HAPZHKFXJAUKHC-QMMMGPOBSA-N -1 0 232.239 1.929 50 0 BDAARM Cc1c(S(=O)(=O)[O-])cnn1-c1ccccc1 ZINC000072233426 323237201 /nfs/dbraw/zinc/23/72/01/323237201.db2.gz UJMHYBRICVZOGP-UHFFFAOYSA-N -1 0 238.268 1.427 50 0 BDAARM CC1(CCCC(=O)[O-])CC(=O)OC(=O)C1 ZINC000101083960 487545594 /nfs/dbraw/zinc/54/55/94/487545594.db2.gz XUKAJHCWPRDJLJ-UHFFFAOYSA-N -1 0 214.217 1.111 50 0 BDAARM COc1c[nH]c(C(=O)Nc2cccnc2)cc1=O ZINC000061718490 488200301 /nfs/dbraw/zinc/20/03/01/488200301.db2.gz VHBLNNZRKVBKMN-UHFFFAOYSA-N -1 0 245.238 1.031 50 0 BDAARM O=C([O-])c1cc(O)c(F)cc1Br ZINC000072137447 491122360 /nfs/dbraw/zinc/12/23/60/491122360.db2.gz NRRQMEMDKNSMOV-UHFFFAOYSA-N -1 0 235.008 1.992 50 0 BDAARM CCC[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1nnn[n-]1 ZINC000242047844 520750590 /nfs/dbraw/zinc/75/05/90/520750590.db2.gz VQORVLYIYKGCQJ-RGOKHQFPSA-N -1 0 249.318 1.203 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000085396843 525475655 /nfs/dbraw/zinc/47/56/55/525475655.db2.gz PGKUSBLIDFWNGG-HLTSFMKQSA-N -1 0 211.261 1.108 50 0 BDAARM Cc1ccc2c(c1)N(C(=O)C1(C(=O)[O-])CC1)CC2 ZINC000154903195 526166803 /nfs/dbraw/zinc/16/68/03/526166803.db2.gz PTTVFJHWYJXDNQ-UHFFFAOYSA-N -1 0 245.278 1.749 50 0 BDAARM COc1ccc2c(c1)C([O-])=C(C(C)=O)C2 ZINC000118010249 537926553 /nfs/dbraw/zinc/92/65/53/537926553.db2.gz OJMNDZJKXLSJDM-JTQLQIEISA-N -1 0 204.225 1.639 50 0 BDAARM CCCCCC(=O)NCCCCC(=O)[O-] ZINC000003683332 585084576 /nfs/dbraw/zinc/08/45/76/585084576.db2.gz QYYPKMVWKVZQNY-UHFFFAOYSA-N -1 0 215.293 1.938 50 0 BDAARM COC(=O)c1cc(C(=O)[O-])n2c1CCCC2 ZINC000757121186 586425522 /nfs/dbraw/zinc/42/55/22/586425522.db2.gz FMSVONQZPAFECD-UHFFFAOYSA-N -1 0 223.228 1.309 50 0 BDAARM CC(C)c1nn(C)c(C(=O)[O-])c1Cl ZINC000106880946 588314351 /nfs/dbraw/zinc/31/43/51/588314351.db2.gz ISINABLGIPMCML-UHFFFAOYSA-N -1 0 202.641 1.895 50 0 BDAARM O=C([O-])COc1cc(Cl)ccc1F ZINC000075880748 600379631 /nfs/dbraw/zinc/37/96/31/600379631.db2.gz VHYBKNPXQVJWLZ-UHFFFAOYSA-N -1 0 204.584 1.943 50 0 BDAARM CC(C)(C)OC(=O)N1CCS[C@H]1CC(=O)[O-] ZINC000958528833 635553894 /nfs/dbraw/zinc/55/38/94/635553894.db2.gz WDLNGGVWTABTTN-ZETCQYMHSA-N -1 0 247.316 1.771 50 0 BDAARM CC(=O)Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000101488895 631323427 /nfs/dbraw/zinc/32/34/27/631323427.db2.gz IXMJVOKXKTTXBX-UHFFFAOYSA-N -1 0 231.255 1.845 50 0 BDAARM COCc1ncc(Br)c(=O)[n-]1 ZINC000085449713 631461437 /nfs/dbraw/zinc/46/14/37/631461437.db2.gz RQHQVTDNTWVZAO-UHFFFAOYSA-N -1 0 219.038 1.091 50 0 BDAARM CS(=O)(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000056649962 640555549 /nfs/dbraw/zinc/55/55/49/640555549.db2.gz LRRWVFGCWMMXGR-DAXSKMNVSA-N -1 0 241.268 1.156 50 0 BDAARM CCC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[O-] ZINC000022339163 641203915 /nfs/dbraw/zinc/20/39/15/641203915.db2.gz UZFMJACXIWAIOR-VHSXEESVSA-N -1 0 242.319 1.872 50 0 BDAARM C=CCNC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000001685245 643661894 /nfs/dbraw/zinc/66/18/94/643661894.db2.gz LEBHALSQCBVOKB-RNCFNFMXSA-N -1 0 239.315 1.816 50 0 BDAARM Cc1n[nH]c(C)c1-c1cccc(CC(=O)[O-])n1 ZINC000534658228 712115691 /nfs/dbraw/zinc/11/56/91/712115691.db2.gz HGASFVUDXLUDIT-UHFFFAOYSA-N -1 0 231.255 1.716 50 0 BDAARM CC[C@H](NC(=O)c1ccoc1C)C(=O)[O-] ZINC000035409615 398140007 /nfs/dbraw/zinc/14/00/07/398140007.db2.gz RBKUDXBKEUURKW-QMMMGPOBSA-N -1 0 211.217 1.181 50 0 BDAARM CCC(CC)(CNC(=O)C=C(C)C)C(=O)[O-] ZINC000097020610 168323902 /nfs/dbraw/zinc/32/39/02/168323902.db2.gz NOOGVIZYMAGXSZ-UHFFFAOYSA-N -1 0 227.304 1.960 50 0 BDAARM Cc1cc(F)ccc1N1C[C@H](C(=O)[O-])CC1=O ZINC000022174977 178088237 /nfs/dbraw/zinc/08/82/37/178088237.db2.gz AEROPJBGPBVKEX-MRVPVSSYSA-N -1 0 237.230 1.572 50 0 BDAARM Cc1cc(N)c(S(=O)(=O)[O-])cc1C ZINC000005159905 178103991 /nfs/dbraw/zinc/10/39/91/178103991.db2.gz XROQUIUUGKYCQN-UHFFFAOYSA-N -1 0 201.247 1.132 50 0 BDAARM Cc1cc(NC(=O)c2ccccc2C(=O)[O-])no1 ZINC000004942500 178151220 /nfs/dbraw/zinc/15/12/20/178151220.db2.gz BIZFIZBXESSPDD-UHFFFAOYSA-N -1 0 246.222 1.934 50 0 BDAARM Cc1cc(=O)n(-c2cccc(C(=O)[O-])c2)[nH]1 ZINC000100487809 178201202 /nfs/dbraw/zinc/20/12/02/178201202.db2.gz RHGNQQFSCGTZBC-UHFFFAOYSA-N -1 0 218.212 1.585 50 0 BDAARM Cc1cc(S(=O)(=O)[O-])c2ccccc2c1N ZINC000019336248 178217421 /nfs/dbraw/zinc/21/74/21/178217421.db2.gz VIJSGCZQNSZBOC-UHFFFAOYSA-N -1 0 237.280 1.977 50 0 BDAARM CC(=O)OC[C@H](C(=O)[O-])c1ccccc1 ZINC000014504713 259305697 /nfs/dbraw/zinc/30/56/97/259305697.db2.gz OXGQBORIYFGJPM-JTQLQIEISA-N -1 0 208.213 1.418 50 0 in-vitro BDAARM Cc1ccc(-c2nnc(CC(=O)[O-])o2)cc1 ZINC000000396008 178340168 /nfs/dbraw/zinc/34/01/68/178340168.db2.gz HTCQVERJQNOZCZ-UHFFFAOYSA-N -1 0 218.212 1.672 50 0 BDAARM CCOc1ccccc1/C=C1/NC(=O)[N-]C1=O ZINC000000072265 342672767 /nfs/dbraw/zinc/67/27/67/342672767.db2.gz HEVMPJZRFSDLON-VQHVLOKHSA-N -1 0 232.239 1.266 50 0 BDAARM Cc1ccsc1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000082610 342673244 /nfs/dbraw/zinc/67/32/44/342673244.db2.gz DLPBHIQCNCYXEB-HTRCEHHLSA-N -1 0 229.326 1.845 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2ccc(O)cc2)N1 ZINC000000085485 342673603 /nfs/dbraw/zinc/67/36/03/342673603.db2.gz TWPYJYQNZHPNGQ-RKDXNWHRSA-N -1 0 225.269 1.180 50 0 BDAARM C[C@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000118564 342675317 /nfs/dbraw/zinc/67/53/17/342675317.db2.gz JIJXMDPRAQNGNG-ZETCQYMHSA-N -1 0 217.228 1.515 50 0 BDAARM COC(=O)C12CCCC(C(=O)[O-])(CCC1)C2 ZINC000000136271 342676688 /nfs/dbraw/zinc/67/66/88/342676688.db2.gz CAPRARXVEUNRES-UHFFFAOYSA-N -1 0 226.272 1.975 50 0 BDAARM CC(C)(C)NC(=O)c1ccccc1C(=O)[O-] ZINC000000143407 342676989 /nfs/dbraw/zinc/67/69/89/342676989.db2.gz XCLHANSFIVZGFC-UHFFFAOYSA-N -1 0 221.256 1.913 50 0 BDAARM O=C([O-])c1cccnc1Br ZINC000000151254 342677476 /nfs/dbraw/zinc/67/74/76/342677476.db2.gz MMWNKXIFVYQOTK-UHFFFAOYSA-N -1 0 202.007 1.542 50 0 BDAARM COc1cc(C(=O)[O-])cc(Cl)c1O ZINC000000156570 342677891 /nfs/dbraw/zinc/67/78/91/342677891.db2.gz XBRYEHVBBMSSCG-UHFFFAOYSA-N -1 0 202.593 1.752 50 0 BDAARM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])COC1(C)C ZINC000000159348 342678059 /nfs/dbraw/zinc/67/80/59/342678059.db2.gz XUYBSTJQGVZMSK-SSDOTTSWSA-N -1 0 245.275 1.443 50 0 BDAARM Nc1ncc(Br)cc1C(=O)[O-] ZINC000000167541 342679063 /nfs/dbraw/zinc/67/90/63/342679063.db2.gz IEPDTLRHISNBLB-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM O=c1cc(O)n(-c2ccc(Cl)cc2)[n-]1 ZINC000000272544 342681912 /nfs/dbraw/zinc/68/19/12/342681912.db2.gz URTSQQTUQNHOHL-UHFFFAOYSA-N -1 0 210.620 1.948 50 0 BDAARM O=C([O-])[C@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000000329125 342683345 /nfs/dbraw/zinc/68/33/45/342683345.db2.gz IXPPKDOOVXQPGI-SCZZXKLOSA-N -1 0 235.264 1.341 50 0 BDAARM Nc1nc(-c2ccccc2)ncc1C(=O)[O-] ZINC000000343514 342684151 /nfs/dbraw/zinc/68/41/51/342684151.db2.gz LLDUUQXHKKSUJU-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)[O-])c1 ZINC000000393864 342686166 /nfs/dbraw/zinc/68/61/66/342686166.db2.gz GEDTXYBZWNEYAB-UHFFFAOYSA-N -1 0 236.227 1.302 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NC1CCCC1 ZINC000000461598 342688062 /nfs/dbraw/zinc/68/80/62/342688062.db2.gz PRMUOGGTHSUYAC-QWRGUYRKSA-N -1 0 239.315 1.936 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2)N1 ZINC000000040089 342671088 /nfs/dbraw/zinc/67/10/88/342671088.db2.gz AZDYQBFYMBALBY-DTWKUNHWSA-N -1 0 209.270 1.475 50 0 BDAARM O=C([O-])[C@@H](O)c1ccc(Br)cc1 ZINC000000057129 342671899 /nfs/dbraw/zinc/67/18/99/342671899.db2.gz BHZBRPQOYFDTAB-ZETCQYMHSA-N -1 0 231.045 1.567 50 0 BDAARM O=C([O-])c1nccnc1-c1ccccc1 ZINC000001433319 342700810 /nfs/dbraw/zinc/70/08/10/342700810.db2.gz DQLZTJMUULVRNZ-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM CC[C@]1(c2ccc(F)cc2)NC(=O)NC1=O ZINC000001669703 342707873 /nfs/dbraw/zinc/70/78/73/342707873.db2.gz JIYSWHFJZINGEZ-LLVKDONJSA-N -1 0 222.219 1.270 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC000001718844 342711101 /nfs/dbraw/zinc/71/11/01/342711101.db2.gz HSRHXCGLDFNPCI-IUCAKERBSA-N -1 0 206.197 1.375 50 0 BDAARM Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC000001848678 342713033 /nfs/dbraw/zinc/71/30/33/342713033.db2.gz YUNBHHWDQDGWHC-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 BDAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccnc1 ZINC000004675658 342750196 /nfs/dbraw/zinc/75/01/96/342750196.db2.gz SBHJLKXAIFQGMY-UHFFFAOYSA-N -1 0 236.271 1.911 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccccc1F ZINC000004105088 342742563 /nfs/dbraw/zinc/74/25/63/342742563.db2.gz UUPDSGSJUTZAKM-RQJHMYQMSA-N -1 0 223.203 1.485 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCc2ccccc21 ZINC000004108844 342742565 /nfs/dbraw/zinc/74/25/65/342742565.db2.gz WPBWYYHYSTYXOM-NXEZZACHSA-N -1 0 231.251 1.296 50 0 BDAARM COC(=O)N=c1s[nH]c(C)c1C(=O)[O-] ZINC000004218675 342744656 /nfs/dbraw/zinc/74/46/56/342744656.db2.gz KPDHESFSNZDKBH-UHFFFAOYSA-N -1 0 216.218 1.328 50 0 BDAARM O=C([O-])c1cccc(Cn2cccn2)c1 ZINC000004258716 342745681 /nfs/dbraw/zinc/74/56/81/342745681.db2.gz UMYNAPRDOSIHOY-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1NC[C@H]1CCCO1 ZINC000004535823 342748907 /nfs/dbraw/zinc/74/89/07/342748907.db2.gz NOQZJPNPEJXAFH-SECBINFHSA-N -1 0 236.271 1.558 50 0 BDAARM Nc1ncc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000002563827 342724321 /nfs/dbraw/zinc/72/43/21/342724321.db2.gz QFVFXTMOJRFRPF-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM CCN(CC)C1(S(=O)(=O)[O-])CCCCC1 ZINC000002577261 342725333 /nfs/dbraw/zinc/72/53/33/342725333.db2.gz RTZAUHIGVYSSRN-UHFFFAOYSA-N -1 0 235.349 1.876 50 0 BDAARM C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)[O-] ZINC000002871209 342727596 /nfs/dbraw/zinc/72/75/96/342727596.db2.gz QBHPCIWSMMDBAD-NSHDSACASA-N -1 0 249.310 1.989 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)NCCc1ccccc1 ZINC000004784838 342752217 /nfs/dbraw/zinc/75/22/17/342752217.db2.gz OYMMAXHIFBIWKQ-LLVKDONJSA-N -1 0 249.310 1.846 50 0 BDAARM CC(C)c1cc(=O)[nH]c(S[C@H](C)C(=O)[O-])n1 ZINC000004943275 342754756 /nfs/dbraw/zinc/75/47/56/342754756.db2.gz RXYWHDHZEVZLCP-ZCFIWIBFSA-N -1 0 242.300 1.459 50 0 BDAARM CCOc1ccccc1-n1nnc(C(=O)[O-])c1C ZINC000004943147 342754773 /nfs/dbraw/zinc/75/47/73/342754773.db2.gz RWBSJSOLKFXQGX-UHFFFAOYSA-N -1 0 247.254 1.673 50 0 BDAARM O=c1c([O-])cc(Cl)nn1-c1ccccc1 ZINC000005687441 342768462 /nfs/dbraw/zinc/76/84/62/342768462.db2.gz LPYTZEAWTIZMCM-UHFFFAOYSA-N -1 0 222.631 1.592 50 0 BDAARM O=C([O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000006423844 342777661 /nfs/dbraw/zinc/77/76/61/342777661.db2.gz PVFRXBPKNHHXFE-UHFFFAOYSA-N -1 0 206.176 1.914 50 0 BDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCO1 ZINC000000367882 178443358 /nfs/dbraw/zinc/44/33/58/178443358.db2.gz GKSYTSXHEUFQLG-LLVKDONJSA-N -1 0 249.266 1.811 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000011890795 342844341 /nfs/dbraw/zinc/84/43/41/342844341.db2.gz AAYIFEJNJRFLKJ-SECBINFHSA-N -1 0 239.296 1.366 50 0 BDAARM O=C1CCCN1c1ccc([S@](=O)[O-])cc1 ZINC000012341425 342849203 /nfs/dbraw/zinc/84/92/03/342849203.db2.gz YQXNTSXVNWQAOX-UHFFFAOYSA-N -1 0 225.269 1.394 50 0 BDAARM Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000012396838 342851250 /nfs/dbraw/zinc/85/12/50/342851250.db2.gz VMDOKQUNFAZHRI-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM CCOc1ccc(OCC(=O)[O-])c(C=O)c1 ZINC000013609120 342868679 /nfs/dbraw/zinc/86/86/79/342868679.db2.gz KZQCDGUVUOPSHR-UHFFFAOYSA-N -1 0 224.212 1.361 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1C ZINC000059881417 342874148 /nfs/dbraw/zinc/87/41/48/342874148.db2.gz YMXDXNIJWBUTAM-BDAKNGLRSA-N -1 0 213.277 1.212 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1C ZINC000059881428 342874196 /nfs/dbraw/zinc/87/41/96/342874196.db2.gz YMXDXNIJWBUTAM-DTWKUNHWSA-N -1 0 213.277 1.212 50 0 BDAARM O=C([O-])c1cc(=O)cc(C(F)(F)F)o1 ZINC000014001383 342875569 /nfs/dbraw/zinc/87/55/69/342875569.db2.gz JGVPJIFWDKSYJL-UHFFFAOYSA-N -1 0 208.091 1.357 50 0 BDAARM Cc1cc(C)nc(-n2[n-]c3c(c2=O)CCCC3)n1 ZINC000018240671 342935576 /nfs/dbraw/zinc/93/55/76/342935576.db2.gz WSSNBUWRKWWQGX-JTQLQIEISA-N -1 0 244.298 1.986 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000019421346 342948049 /nfs/dbraw/zinc/94/80/49/342948049.db2.gz YLMGZOAUYHOWFU-SECBINFHSA-N -1 0 241.193 1.402 50 0 BDAARM CCc1ccc(-n2ccc(=O)c(C(=O)[O-])n2)cc1 ZINC000019897837 342961469 /nfs/dbraw/zinc/96/14/69/342961469.db2.gz XWNICOHLMXGFBL-UHFFFAOYSA-N -1 0 244.250 1.493 50 0 BDAARM O=C([O-])c1cnc(Cc2ccccc2)[nH]c1=O ZINC000020134324 342971056 /nfs/dbraw/zinc/97/10/56/342971056.db2.gz CQGRPRHGLJHRRU-UHFFFAOYSA-N -1 0 230.223 1.059 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000019981299 342965620 /nfs/dbraw/zinc/96/56/20/342965620.db2.gz GUJQGXPEJFDCGP-SECBINFHSA-N -1 0 240.303 1.435 50 0 BDAARM CC(C)(C)c1cc(NC(=O)CCC(=O)[O-])no1 ZINC000006698565 349777456 /nfs/dbraw/zinc/77/74/56/349777456.db2.gz OBTWSXHBFQXMQV-UHFFFAOYSA-N -1 0 240.259 1.775 50 0 BDAARM C[C@@H]1[C@@H](CCC(=O)[O-])[C@H](C)Nc2ccnn21 ZINC000584879994 343080331 /nfs/dbraw/zinc/08/03/31/343080331.db2.gz CBMOPDGKSHYFHW-YIZRAAEISA-N -1 0 223.276 1.739 50 0 BDAARM Cc1cc(=O)c2cc(F)ccc2n1CC(=O)[O-] ZINC000026507899 343106138 /nfs/dbraw/zinc/10/61/38/343106138.db2.gz CWXCGAJMSYIFLG-UHFFFAOYSA-N -1 0 235.214 1.534 50 0 BDAARM Cc1ccc(NC(=O)/C=C\C(=O)[O-])c(C)c1 ZINC000030728450 343197182 /nfs/dbraw/zinc/19/71/82/343197182.db2.gz YJSWFYKQDVWJSU-WAYWQWQTSA-N -1 0 219.240 1.883 50 0 BDAARM Cc1ccc2c(c1)OC[C@@H](CC(=O)[O-])C(=O)N2 ZINC000032917174 343244218 /nfs/dbraw/zinc/24/42/18/343244218.db2.gz NSSYUVSGDJWRML-MRVPVSSYSA-N -1 0 235.239 1.417 50 0 BDAARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1C ZINC000000444329 343269913 /nfs/dbraw/zinc/26/99/13/343269913.db2.gz DYOXCSCRKLLVMT-WEVVVXLNSA-N -1 0 219.244 1.663 50 0 BDAARM Cc1nn(-c2nc(C)cc(C)n2)cc1C(=O)[O-] ZINC000036894372 343326619 /nfs/dbraw/zinc/32/66/19/343326619.db2.gz ZXVREUYBIVNCCA-UHFFFAOYSA-N -1 0 232.243 1.286 50 0 BDAARM CC(C)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000036075280 343308245 /nfs/dbraw/zinc/30/82/45/343308245.db2.gz BKDPYUJXGBRRNE-UHFFFAOYSA-N -1 0 208.213 1.946 50 0 BDAARM CN(CC1CC1)c1cc(C(=O)[O-])ccn1 ZINC000037926134 343361104 /nfs/dbraw/zinc/36/11/04/343361104.db2.gz YNMOGTVJSHJGOV-UHFFFAOYSA-N -1 0 206.245 1.626 50 0 BDAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CC1(F)F ZINC000039326158 343388638 /nfs/dbraw/zinc/38/86/38/343388638.db2.gz FLCKECWKJDRFQF-QMMMGPOBSA-N -1 0 237.202 1.374 50 0 BDAARM CC(C)(C)CNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000040495110 343405819 /nfs/dbraw/zinc/40/58/19/343405819.db2.gz UGLZXXQWUNKOTA-UHFFFAOYSA-N -1 0 236.271 1.556 50 0 BDAARM CC(C)OCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263513947 136374883 /nfs/dbraw/zinc/37/48/83/136374883.db2.gz OFDSRSQYLHEBOM-ZJUUUORDSA-N -1 0 243.303 1.123 50 0 BDAARM O=C([O-])c1ccc(=O)n(-c2ccccc2F)c1 ZINC000043671785 343480455 /nfs/dbraw/zinc/48/04/55/343480455.db2.gz OCUYDWJEADJYLB-UHFFFAOYSA-N -1 0 233.198 1.675 50 0 BDAARM O=C([O-])c1cn(CCO)cc1C(F)(F)F ZINC000043299035 343467692 /nfs/dbraw/zinc/46/76/92/343467692.db2.gz ZOTUAURJAINELF-UHFFFAOYSA-N -1 0 223.150 1.197 50 0 BDAARM CC(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1 ZINC000047844107 343566390 /nfs/dbraw/zinc/56/63/90/343566390.db2.gz ABTIPMDRAIMXRS-NSHDSACASA-N -1 0 232.239 1.295 50 0 BDAARM O=C([O-])c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000020429994 343648393 /nfs/dbraw/zinc/64/83/93/343648393.db2.gz KNUIJMYOWVCLNT-UHFFFAOYSA-N -1 0 241.609 1.758 50 0 BDAARM O=C([O-])CC[C@H]1CC(=O)Nc2ccccc21 ZINC000000259401 537820990 /nfs/dbraw/zinc/82/09/90/537820990.db2.gz VGGFTZNFNWIIMG-QMMMGPOBSA-N -1 0 219.240 1.977 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)NCc1ccco1 ZINC000004681255 343956944 /nfs/dbraw/zinc/95/69/44/343956944.db2.gz NRWCNXFHYQUJQF-QMMMGPOBSA-N -1 0 225.244 1.397 50 0 BDAARM CC(C)C[C@@H](NC(=O)c1cccnc1)C(=O)[O-] ZINC000004811379 344273541 /nfs/dbraw/zinc/27/35/41/344273541.db2.gz IKBCYCIJCZFDFM-SNVBAGLBSA-N -1 0 236.271 1.311 50 0 BDAARM C/C=C(\C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000381155678 344480694 /nfs/dbraw/zinc/48/06/94/344480694.db2.gz QAEXLQGGWCDCGB-NAZIUFLLSA-N -1 0 227.304 1.816 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2ccccc2F)N1 ZINC000000135103 344562301 /nfs/dbraw/zinc/56/23/01/344562301.db2.gz XGKPPDQTYRFBAP-RKDXNWHRSA-N -1 0 227.260 1.614 50 0 BDAARM Cc1cc(-c2cnc(C(=O)[O-])nc2)sn1 ZINC000675069229 537866027 /nfs/dbraw/zinc/86/60/27/537866027.db2.gz CZCAHKORUVEINH-UHFFFAOYSA-N -1 0 221.241 1.607 50 0 BDAARM Cc1ccc(F)cc1NC(=O)CCC(=O)[O-] ZINC000000390411 345255975 /nfs/dbraw/zinc/25/59/75/345255975.db2.gz HWJKBEFEXHRNIG-UHFFFAOYSA-N -1 0 225.219 1.937 50 0 BDAARM O=C([O-])C1(n2cc(Br)cn2)CC1 ZINC000307499329 537923356 /nfs/dbraw/zinc/92/33/56/537923356.db2.gz LHKYHZMGLXYIEV-UHFFFAOYSA-N -1 0 231.049 1.219 50 0 BDAARM COc1ccc2c(c1)C([O-])=C(C(C)=O)C2 ZINC000118010251 537925041 /nfs/dbraw/zinc/92/50/41/537925041.db2.gz OJMNDZJKXLSJDM-SNVBAGLBSA-N -1 0 204.225 1.639 50 0 BDAARM O=C([O-])c1nc(-c2ccccc2)n2c1COCC2 ZINC000685944703 537935103 /nfs/dbraw/zinc/93/51/03/537935103.db2.gz SMOMONDAXIUQRC-UHFFFAOYSA-N -1 0 244.250 1.779 50 0 BDAARM Cc1ccc2oc(C(=O)[O-])cc(=O)c2c1 ZINC000000057721 178988202 /nfs/dbraw/zinc/98/82/02/178988202.db2.gz RKIDLZFIIVDZNX-UHFFFAOYSA-N -1 0 204.181 1.800 50 0 biogenic BDAARM Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1C ZINC000062117347 179011539 /nfs/dbraw/zinc/01/15/39/179011539.db2.gz YCERMHJKIYZXLC-NSHDSACASA-N -1 0 247.294 1.850 50 0 BDAARM O=C([O-])[C@@H](F)C1CCC2(CC1)OCCO2 ZINC000236432095 346240898 /nfs/dbraw/zinc/24/08/98/346240898.db2.gz UKHTVDSWJYCUTN-QMMMGPOBSA-N -1 0 218.224 1.342 50 0 BDAARM O=C([O-])[C@H](F)C1CCC2(CC1)OCCO2 ZINC000236436457 346241133 /nfs/dbraw/zinc/24/11/33/346241133.db2.gz UKHTVDSWJYCUTN-MRVPVSSYSA-N -1 0 218.224 1.342 50 0 BDAARM Cc1cccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000095961817 179024644 /nfs/dbraw/zinc/02/46/44/179024644.db2.gz TUORVYSYPMGOBD-NEPJUHHUSA-N -1 0 247.294 1.978 50 0 BDAARM Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000095961816 179022018 /nfs/dbraw/zinc/02/20/18/179022018.db2.gz TUORVYSYPMGOBD-VXGBXAGGSA-N -1 0 247.294 1.978 50 0 BDAARM Cc1cccc(N(C=O)CC(=O)[O-])c1C ZINC000002519851 179117166 /nfs/dbraw/zinc/11/71/66/179117166.db2.gz VJNFGUWSQPMMIW-UHFFFAOYSA-N -1 0 207.229 1.351 50 0 BDAARM Cc1ccc(N(C)[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000004450714 346601397 /nfs/dbraw/zinc/60/13/97/346601397.db2.gz PVWJPRKNHLDJCE-JTQLQIEISA-N -1 0 236.296 1.740 50 0 BDAARM Cc1cccc(NC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000006302429 179135970 /nfs/dbraw/zinc/13/59/70/179135970.db2.gz BELYOKXUIQMXES-MRVPVSSYSA-N -1 0 222.244 1.590 50 0 BDAARM Cc1ccccc1CC(=O)NC[C@H](C)C(=O)[O-] ZINC000054309549 179259040 /nfs/dbraw/zinc/25/90/40/179259040.db2.gz IPKGITSEPWEIEE-JTQLQIEISA-N -1 0 235.283 1.374 50 0 BDAARM Cc1ccccc1NC(=O)/C=C\C(=O)[O-] ZINC000031636863 179297423 /nfs/dbraw/zinc/29/74/23/179297423.db2.gz RGFQVACBIDGKBN-SREVYHEPSA-N -1 0 205.213 1.574 50 0 BDAARM Cc1cn2nc(C(=O)[O-])cc2c(N2CCCC2)n1 ZINC000096516397 179567482 /nfs/dbraw/zinc/56/74/82/179567482.db2.gz SVEYJJRFMPSEJC-UHFFFAOYSA-N -1 0 246.270 1.336 50 0 BDAARM CCCCNC(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256582 538057950 /nfs/dbraw/zinc/05/79/50/538057950.db2.gz WFOXQEZRSHUUDX-UHFFFAOYSA-N -1 0 227.220 1.294 50 0 BDAARM CCCCn1c(=O)c2nn(C)cc2[n-]c1=S ZINC000033268075 350226359 /nfs/dbraw/zinc/22/63/59/350226359.db2.gz PLNSDWXNVYRJRI-UHFFFAOYSA-N -1 0 238.316 1.219 50 0 BDAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCO ZINC000100072240 180328071 /nfs/dbraw/zinc/32/80/71/180328071.db2.gz YRVDDDNPQGUWTB-UHFFFAOYSA-N -1 0 236.246 1.560 50 0 BDAARM Cc1nn(-c2nc3ccccc3[nH]2)cc1[O-] ZINC000096286872 180330632 /nfs/dbraw/zinc/33/06/32/180330632.db2.gz QIVZGUJHYRRCQG-UHFFFAOYSA-N -1 0 214.228 1.763 50 0 BDAARM CC(=O)N1CCC[C@@]1(C(=O)[O-])c1ccccc1 ZINC000000229933 191108064 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BDAARM O=C([O-])[C@@H]1CCC(=O)[C@H]1c1ccccc1 ZINC000071773806 384000400 /nfs/dbraw/zinc/00/04/00/384000400.db2.gz XMXFTFOHICRWNP-KOLCDFICSA-N -1 0 204.225 1.834 50 0 BDAARM CC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000003260004 384001378 /nfs/dbraw/zinc/00/13/78/384001378.db2.gz SQGYWRZISBCKMW-SNVBAGLBSA-N -1 0 247.250 1.327 50 0 BDAARM O=C([O-])c1c(O)ccc(Br)c1O ZINC000002510861 383969168 /nfs/dbraw/zinc/96/91/68/383969168.db2.gz GPCLJSXGFAOJQE-UHFFFAOYSA-N -1 0 233.017 1.559 50 0 in-vitro BDAARM Cn1nc(C(F)(F)F)c(C(=O)[O-])c1Cl ZINC000002558767 383976183 /nfs/dbraw/zinc/97/61/83/383976183.db2.gz IKGVBNQPAJOSFP-UHFFFAOYSA-N -1 0 228.557 1.791 50 0 BDAARM O=C([O-])/C=C/c1cc(F)cc2c1OCOC2 ZINC000004218937 384047643 /nfs/dbraw/zinc/04/76/43/384047643.db2.gz RIBPFILKLFAJKT-OWOJBTEDSA-N -1 0 224.187 1.790 50 0 BDAARM O=C([O-])Cn1cc(Cl)c(=O)c(Cl)c1 ZINC000004284524 384053582 /nfs/dbraw/zinc/05/35/82/384053582.db2.gz MFMXEEQESUEMSB-UHFFFAOYSA-N -1 0 222.027 1.240 50 0 BDAARM O=C([O-])CCS(=O)(=O)Cc1ccccc1 ZINC000004512996 384063872 /nfs/dbraw/zinc/06/38/72/384063872.db2.gz DXVJEQSCVWZYQP-UHFFFAOYSA-N -1 0 228.269 1.076 50 0 BDAARM CCc1ccc(S(=O)(=O)CCC(=O)[O-])cc1 ZINC000004942735 384091274 /nfs/dbraw/zinc/09/12/74/384091274.db2.gz SFZXSTPHBIIUGX-UHFFFAOYSA-N -1 0 242.296 1.497 50 0 BDAARM O=Cc1ccc([O-])cc1Br ZINC000038220999 384077770 /nfs/dbraw/zinc/07/77/70/384077770.db2.gz OCBOCCOUCDGNKX-UHFFFAOYSA-N -1 0 201.019 1.967 50 0 BDAARM O=C([O-])Cc1cncc(C(F)(F)F)c1 ZINC000035569950 384080603 /nfs/dbraw/zinc/08/06/03/384080603.db2.gz AFEMAIMWZJRTSS-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM C[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000005912653 384137438 /nfs/dbraw/zinc/13/74/38/384137438.db2.gz WQFVYGFYMSRCFT-ZCFIWIBFSA-N -1 0 242.662 1.935 50 0 BDAARM Cc1ccc2c(=O)cc(C(=O)[O-])[nH]c2c1C ZINC000071025646 384147731 /nfs/dbraw/zinc/14/77/31/384147731.db2.gz WQYUWRVKNBTRGO-UHFFFAOYSA-N -1 0 217.224 1.843 50 0 BDAARM O=C([O-])c1cc(F)cnc1Br ZINC000071617263 384173747 /nfs/dbraw/zinc/17/37/47/384173747.db2.gz ZTQQDQFYFNLILK-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C1CC1 ZINC000092046517 384159155 /nfs/dbraw/zinc/15/91/55/384159155.db2.gz CDQNTFXPHIQJHN-WDEREUQCSA-N -1 0 248.282 1.198 50 0 BDAARM O=C([O-])[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000117298992 384169405 /nfs/dbraw/zinc/16/94/05/384169405.db2.gz SIXDNAOJMRQGSG-MRVPVSSYSA-N -1 0 226.253 1.032 50 0 BDAARM O=C([O-])C[C@@H](O)c1ccc(Cl)cc1 ZINC000041210424 384183596 /nfs/dbraw/zinc/18/35/96/384183596.db2.gz NRRQHJBZRHOVAO-MRVPVSSYSA-N -1 0 200.621 1.848 50 0 BDAARM Cc1ccc(S(=O)(=O)[N-]Cl)cc1 ZINC000008576333 384204372 /nfs/dbraw/zinc/20/43/72/384204372.db2.gz NXTVQNIVUKXOIL-UHFFFAOYSA-N -1 0 205.666 1.427 50 0 world BDAARM O=C([O-])c1ccn2c(Br)cnc2c1 ZINC000072265936 384204742 /nfs/dbraw/zinc/20/47/42/384204742.db2.gz NBXDWHKFUACMKB-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM CC(C)n1ncc(Br)c1CC(=O)[O-] ZINC000072209710 384199171 /nfs/dbraw/zinc/19/91/71/384199171.db2.gz HFBIBQDZYTVIPR-UHFFFAOYSA-N -1 0 247.092 1.854 50 0 BDAARM Cc1n[n-]c(N[C@@H](C)c2ccccc2)nc1=O ZINC000008738847 384215240 /nfs/dbraw/zinc/21/52/40/384215240.db2.gz GNOPNPLJPABZCQ-QMMMGPOBSA-N -1 0 230.271 1.646 50 0 BDAARM O=C([O-])C1(c2ccccc2F)CCOCC1 ZINC000009280610 384240733 /nfs/dbraw/zinc/24/07/33/384240733.db2.gz NRKNYZPHABISIQ-UHFFFAOYSA-N -1 0 224.231 1.959 50 0 BDAARM O=C([O-])/C=C/c1ccc2c(c1)NC(=O)CO2 ZINC000012375036 384317699 /nfs/dbraw/zinc/31/76/99/384317699.db2.gz ONYVPMSGIUUCOL-DUXPYHPUSA-N -1 0 219.196 1.115 50 0 biogenic,in-vitro BDAARM O=C([O-])/C=C/c1ccc(-n2ccnc2)cc1 ZINC000011535798 384288823 /nfs/dbraw/zinc/28/88/23/384288823.db2.gz VTPHRTMDCPLTTK-ZZXKWVIFSA-N -1 0 214.224 1.970 50 0 BDAARM O=C([O-])Cn1nc(-c2cccs2)ccc1=O ZINC000011567930 384290535 /nfs/dbraw/zinc/29/05/35/384290535.db2.gz NZWFPFIIVRGMAV-UHFFFAOYSA-N -1 0 236.252 1.056 50 0 BDAARM CC(C)n1cc(Br)c(C(=O)[O-])n1 ZINC000011920475 384300569 /nfs/dbraw/zinc/30/05/69/384300569.db2.gz ZLQGMHAFGMQGTD-UHFFFAOYSA-N -1 0 233.065 1.925 50 0 BDAARM CCc1c(C)c(C(=O)[O-])[nH]c1COC(C)=O ZINC000095215902 384368703 /nfs/dbraw/zinc/36/87/03/384368703.db2.gz DQLXUULZPYZLLL-UHFFFAOYSA-N -1 0 225.244 1.647 50 0 BDAARM O=C([O-])CC(=O)NCCn1ccc2ccccc21 ZINC000032587351 384326174 /nfs/dbraw/zinc/32/61/74/384326174.db2.gz BYGOXURSQYZZSY-UHFFFAOYSA-N -1 0 246.266 1.232 50 0 BDAARM O=C([O-])Cc1cccnc1C(F)(F)F ZINC000044375634 384327587 /nfs/dbraw/zinc/32/75/87/384327587.db2.gz AGSMUBBXXSAUDW-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM O=C([O-])[C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000134082164 384331680 /nfs/dbraw/zinc/33/16/80/384331680.db2.gz AEOBGWSMUHRGAG-JTQLQIEISA-N -1 0 243.266 1.592 50 0 BDAARM O=C([O-])[C@@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000005033542 384397505 /nfs/dbraw/zinc/39/75/05/384397505.db2.gz UVKLQENEDYQPHW-QMMMGPOBSA-N -1 0 226.615 1.506 50 0 BDAARM CC(C)(CC(=O)NCc1ccccc1)C(=O)[O-] ZINC000077370661 384406305 /nfs/dbraw/zinc/40/63/05/384406305.db2.gz GUCGFVJHVCRGBL-UHFFFAOYSA-N -1 0 235.283 1.804 50 0 BDAARM O=C([O-])c1ccc(Br)nc1F ZINC000095496001 384381329 /nfs/dbraw/zinc/38/13/29/384381329.db2.gz CKSOKCDTRKHTPT-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM Cc1c([O-])nc2sc3ccccc3n2c1=O ZINC000095630017 384384911 /nfs/dbraw/zinc/38/49/11/384384911.db2.gz NPPLYNHERLXKPL-UHFFFAOYSA-N -1 0 232.264 1.923 50 0 BDAARM O=C([O-])C1(c2ccc(Br)nc2)CC1 ZINC000095642369 384385179 /nfs/dbraw/zinc/38/51/79/384385179.db2.gz NJHZFDREDVYAJW-UHFFFAOYSA-N -1 0 242.072 1.960 50 0 BDAARM O=C(/C=C\C1CC1)NC1(C(=O)[O-])CCCC1 ZINC000222115387 384391019 /nfs/dbraw/zinc/39/10/19/384391019.db2.gz BWMAOWCEDPVRFF-WAYWQWQTSA-N -1 0 223.272 1.466 50 0 BDAARM COC(=O)c1cc(=O)c2cc(C)ccc2[n-]1 ZINC000015829061 384445047 /nfs/dbraw/zinc/44/50/47/384445047.db2.gz MRDGZDDDGVIAJY-UHFFFAOYSA-N -1 0 217.224 1.623 50 0 BDAARM C[C@@H]1Cc2ccccc2N1C(=O)C(=O)[O-] ZINC000019093104 384510559 /nfs/dbraw/zinc/51/05/59/384510559.db2.gz JGESGOYJOOYVIT-SSDOTTSWSA-N -1 0 205.213 1.049 50 0 BDAARM O=C([O-])COCc1ccccc1Cl ZINC000019475997 384525872 /nfs/dbraw/zinc/52/58/72/384525872.db2.gz ZWGATQDJKOQNJS-UHFFFAOYSA-N -1 0 200.621 1.941 50 0 BDAARM Nc1nc2cc(C(=O)[O-])c(Cl)cc2o1 ZINC000097757416 384555363 /nfs/dbraw/zinc/55/53/63/384555363.db2.gz ADVIVDKAGSKIER-UHFFFAOYSA-N -1 0 212.592 1.762 50 0 BDAARM CN(Cc1ccccc1)Cn1[n-]c(=O)ccc1=O ZINC000019787738 384537479 /nfs/dbraw/zinc/53/74/79/384537479.db2.gz PIJMBDYJXJVRHI-UHFFFAOYSA-N -1 0 245.282 1.038 50 0 BDAARM O=C([O-])C[C@H]1CSc2ccccc2NC1=O ZINC000020031542 384572226 /nfs/dbraw/zinc/57/22/26/384572226.db2.gz VCSCQLDBPVHQPW-ZETCQYMHSA-N -1 0 237.280 1.822 50 0 BDAARM C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCC(=O)[O-] ZINC000299753763 384582930 /nfs/dbraw/zinc/58/29/30/384582930.db2.gz ZGOJEALZNGTMEG-PRHODGIISA-N -1 0 249.266 1.142 50 0 BDAARM O=C([O-])C=C1CC(=O)N(c2ccccc2)N1 ZINC000020268205 384605687 /nfs/dbraw/zinc/60/56/87/384605687.db2.gz LCWPVTQTTKVOMV-UHFFFAOYSA-N -1 0 218.212 1.205 50 0 BDAARM Cc1c(C(=O)[O-])nnn1Cc1ccccc1F ZINC000050215183 384607686 /nfs/dbraw/zinc/60/76/86/384607686.db2.gz PEZVCFWVWVKLMD-UHFFFAOYSA-N -1 0 235.218 1.472 50 0 BDAARM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(=O)[O-])O1 ZINC000214469714 384633003 /nfs/dbraw/zinc/63/30/03/384633003.db2.gz IJMIYSXHHOKJEZ-HTQZYQBOSA-N -1 0 245.275 1.095 50 0 BDAARM Cc1ccc2c(c1)[C@H](CC(=O)[O-])C(=O)N2 ZINC000100142252 384619764 /nfs/dbraw/zinc/61/97/64/384619764.db2.gz UUCMKMSXYMSZJV-QMMMGPOBSA-N -1 0 205.213 1.505 50 0 BDAARM CC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100293691 384630780 /nfs/dbraw/zinc/63/07/80/384630780.db2.gz KUYISNWBBZFVQK-UHFFFAOYSA-N -1 0 229.235 1.466 50 0 BDAARM O=C([O-])c1ccc(Cl)c2c1OCCO2 ZINC000098096551 384594254 /nfs/dbraw/zinc/59/42/54/384594254.db2.gz RHTLNBSAROMJMO-UHFFFAOYSA-N -1 0 214.604 1.809 50 0 BDAARM CCO[C@H](CC)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136108810 384674505 /nfs/dbraw/zinc/67/45/05/384674505.db2.gz NUZHGKDVRDZOOK-VHSXEESVSA-N -1 0 243.303 1.125 50 0 BDAARM CC(C)Cc1cc(C(=O)[O-])[nH]c2n[nH]c(=O)c1-2 ZINC000100476379 384642773 /nfs/dbraw/zinc/64/27/73/384642773.db2.gz UWPMSBSNLHBVEF-UHFFFAOYSA-N -1 0 235.243 1.148 50 0 BDAARM O=C([O-])c1c(F)cccc1-n1nccn1 ZINC000082048527 384643884 /nfs/dbraw/zinc/64/38/84/384643884.db2.gz NTPOZDBAGMLNQA-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM Nc1ccc(Br)cc1C(=O)C(=O)[O-] ZINC000082048609 384644540 /nfs/dbraw/zinc/64/45/40/384644540.db2.gz FCDLJEVIQXILCD-UHFFFAOYSA-N -1 0 244.044 1.299 50 0 BDAARM O=C([O-])c1c(C2CC2)nc2sccn21 ZINC000082164231 384650229 /nfs/dbraw/zinc/65/02/29/384650229.db2.gz MYNNRYMYQAYKIY-UHFFFAOYSA-N -1 0 208.242 1.971 50 0 BDAARM O=C([O-])c1cncc(-c2ccccn2)c1 ZINC000082505817 384688487 /nfs/dbraw/zinc/68/84/87/384688487.db2.gz CETDUWNFRJWXRN-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM COc1cc(-c2cc(=O)n3[n-]ccc3n2)ccn1 ZINC000102290155 384705466 /nfs/dbraw/zinc/70/54/66/384705466.db2.gz ARFHRBODXIGULE-UHFFFAOYSA-N -1 0 242.238 1.093 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1NS(C)(=O)=O ZINC000021960314 384709806 /nfs/dbraw/zinc/70/98/06/384709806.db2.gz ONJNQHFRVKPEAG-UHFFFAOYSA-N -1 0 229.257 1.065 50 0 BDAARM CC(C)=CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000085006353 384768921 /nfs/dbraw/zinc/76/89/21/384768921.db2.gz YSDWHLRLCJSTOX-DTWKUNHWSA-N -1 0 211.261 1.322 50 0 BDAARM O=C([O-])Cn1ccc(=O)c2cc(Cl)ccc21 ZINC000026507931 384876669 /nfs/dbraw/zinc/87/66/69/384876669.db2.gz OSKRBFDXIATJKW-UHFFFAOYSA-N -1 0 237.642 1.740 50 0 BDAARM C/C(=C/C(=O)N1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000583652300 384864975 /nfs/dbraw/zinc/86/49/75/384864975.db2.gz DTVHFHGCZCDNQW-DVBBHNHCSA-N -1 0 237.299 1.666 50 0 BDAARM Cc1ccc(/C=C\C(=O)NC2(C(=O)[O-])CC2)o1 ZINC000214017477 384924308 /nfs/dbraw/zinc/92/43/08/384924308.db2.gz NAJRWVQTJHHARL-PLNGDYQASA-N -1 0 235.239 1.335 50 0 BDAARM Cc1cc(C)c2c(OCC(=O)[O-])nn(C)c2n1 ZINC000057218543 384930998 /nfs/dbraw/zinc/93/09/98/384930998.db2.gz HWLFFSWGFNOPKQ-UHFFFAOYSA-N -1 0 235.243 1.049 50 0 BDAARM Nc1cccc([C@H]2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000057351129 384940132 /nfs/dbraw/zinc/94/01/32/384940132.db2.gz ZEMMOEMPUPFAGT-PSASIEDQSA-N -1 0 219.240 1.416 50 0 BDAARM Cc1nc(C)c(C(=O)NC[C@H](C)CC(=O)[O-])o1 ZINC000128150539 385004949 /nfs/dbraw/zinc/00/49/49/385004949.db2.gz VFCYEKOXMSFFOF-ZCFIWIBFSA-N -1 0 240.259 1.132 50 0 BDAARM Cc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000062117479 385061774 /nfs/dbraw/zinc/06/17/74/385061774.db2.gz CJYVZJJJZCXJRT-NSHDSACASA-N -1 0 247.294 1.850 50 0 BDAARM O=C([O-])/C=C\C(=O)n1cnc2ccccc21 ZINC000005547629 385163085 /nfs/dbraw/zinc/16/30/85/385163085.db2.gz GBACTRJWNJUBMH-WAYWQWQTSA-N -1 0 216.196 1.317 50 0 BDAARM Cc1ccc2[n-]c(=S)n(C)c(=O)c2c1 ZINC000032628018 385175109 /nfs/dbraw/zinc/17/51/09/385175109.db2.gz FVXUYCAQINXRCR-UHFFFAOYSA-N -1 0 206.270 1.905 50 0 BDAARM COC(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000034284924 385276094 /nfs/dbraw/zinc/27/60/94/385276094.db2.gz ICUITMASTQNLIL-UHFFFAOYSA-N -1 0 214.604 1.825 50 0 BDAARM O=C([O-])CCC(=O)[C@@H]1CNc2ccccc21 ZINC000000519751 385414094 /nfs/dbraw/zinc/41/40/94/385414094.db2.gz OSCRGOZQSQYZIW-SECBINFHSA-N -1 0 219.240 1.630 50 0 biogenic BDAARM CCN(CC)c1cc(CCC(=O)[O-])ccn1 ZINC000169676671 385416578 /nfs/dbraw/zinc/41/65/78/385416578.db2.gz RKLDXJCPHHPLHZ-UHFFFAOYSA-N -1 0 222.288 1.945 50 0 BDAARM O=C([O-])[C@]1(Cc2cccnc2)CCCCC(=O)N1 ZINC000169676386 385416866 /nfs/dbraw/zinc/41/68/66/385416866.db2.gz FZPDUOMMWPIZAE-CYBMUJFWSA-N -1 0 248.282 1.138 50 0 BDAARM O=C([O-])[C@@]1(Cc2cccnc2)CCCCC(=O)N1 ZINC000169676385 385417163 /nfs/dbraw/zinc/41/71/63/385417163.db2.gz FZPDUOMMWPIZAE-ZDUSSCGKSA-N -1 0 248.282 1.138 50 0 BDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccco2)C1 ZINC000062912636 385620081 /nfs/dbraw/zinc/62/00/81/385620081.db2.gz HEVRXCAEZQDESV-LLVKDONJSA-N -1 0 223.228 1.216 50 0 BDAARM CC[C@H](NC(=O)Cc1cccc(C)c1)C(=O)[O-] ZINC000052127433 385699309 /nfs/dbraw/zinc/69/93/09/385699309.db2.gz BPDPUTWIUADLJT-NSHDSACASA-N -1 0 235.283 1.517 50 0 BDAARM C/C(=C\C(=O)N1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000128513903 385703084 /nfs/dbraw/zinc/70/30/84/385703084.db2.gz DTVHFHGCZCDNQW-DJYGCBNOSA-N -1 0 237.299 1.666 50 0 BDAARM Cc1ccc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000095961747 385859052 /nfs/dbraw/zinc/85/90/52/385859052.db2.gz JZOICXDVPSBVFI-ONGXEEELSA-N -1 0 248.282 1.373 50 0 BDAARM C[C@@H](NC(=O)c1ccc(F)cn1)[C@H](C)C(=O)[O-] ZINC000228567544 386587559 /nfs/dbraw/zinc/58/75/59/386587559.db2.gz KLZMNMSPUYYKGV-NKWVEPMBSA-N -1 0 240.234 1.060 50 0 BDAARM O=C([O-])CCC(=O)NCc1ccc2[nH]cnc2c1 ZINC000082611651 386543218 /nfs/dbraw/zinc/54/32/18/386543218.db2.gz HTBXKVAQMGLQNU-UHFFFAOYSA-N -1 0 247.254 1.044 50 0 BDAARM CC(=O)c1c(NCCC(=O)[O-])cc(C)oc1=O ZINC000001426681 386644407 /nfs/dbraw/zinc/64/44/07/386644407.db2.gz LDCZMQLCTOUZLW-UHFFFAOYSA-N -1 0 239.227 1.037 50 0 BDAARM Cn1cc(-c2ccnc3[nH]ccc32)c(C(=O)[O-])n1 ZINC000534585428 386644969 /nfs/dbraw/zinc/64/49/69/386644969.db2.gz MLILWWPTCMBNNM-UHFFFAOYSA-N -1 0 242.238 1.662 50 0 BDAARM Cn1cnc(-c2cccc(C(=O)[O-])n2)c1 ZINC000074208970 386847397 /nfs/dbraw/zinc/84/73/97/386847397.db2.gz VVWUSROLYSVOIU-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM Cc1ccc2[nH]c3c([n-]c(=S)n(N)c3=O)c2c1 ZINC000071289303 387098309 /nfs/dbraw/zinc/09/83/09/387098309.db2.gz IFORFYDFUPSIKH-UHFFFAOYSA-N -1 0 246.295 1.563 50 0 BDAARM CC(C)c1cc(=O)n2nc(C(F)(F)F)[n-]c2n1 ZINC000101368270 387469135 /nfs/dbraw/zinc/46/91/35/387469135.db2.gz AKZKULWYNSBXIS-UHFFFAOYSA-N -1 0 246.192 1.560 50 0 BDAARM C[C@@H](NC(=O)c1cccc2cc[nH]c21)C(=O)[O-] ZINC000088731003 387677725 /nfs/dbraw/zinc/67/77/25/387677725.db2.gz NYICVQMLFPCITI-SSDOTTSWSA-N -1 0 232.239 1.371 50 0 BDAARM C[C@@H](CCC(=O)[O-])NC(=O)C1CCCC1 ZINC000069837797 387715872 /nfs/dbraw/zinc/71/58/72/387715872.db2.gz FOLFARSSFPJKJM-QMMMGPOBSA-N -1 0 213.277 1.546 50 0 BDAARM CCO[N-]C(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000036391297 387779491 /nfs/dbraw/zinc/77/94/91/387779491.db2.gz JLBLCAQTKWDQBU-KCJUWKMLSA-N -1 0 237.255 1.283 50 0 BDAARM O=c1[n-]c(CN2CCC[C@H]2C(F)(F)F)n[nH]1 ZINC000527630100 387837308 /nfs/dbraw/zinc/83/73/08/387837308.db2.gz RWCAGKGBNHBZQU-YFKPBYRVSA-N -1 0 236.197 1.037 50 0 BDAARM O=C([O-])Cc1cc(=O)[nH]c(-c2ccccc2F)n1 ZINC000058036983 388372971 /nfs/dbraw/zinc/37/29/71/388372971.db2.gz WTJTYIZIXZACBF-UHFFFAOYSA-N -1 0 248.213 1.203 50 0 BDAARM CN(CC(=O)[O-])Cc1nc2ccccc2n1C ZINC000067947521 388408502 /nfs/dbraw/zinc/40/85/02/388408502.db2.gz WCNBHIGABMYJON-UHFFFAOYSA-N -1 0 233.271 1.090 50 0 BDAARM Cc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])cn1 ZINC000070309534 388435649 /nfs/dbraw/zinc/43/56/49/388435649.db2.gz WFGNXWGBESLVQJ-SECBINFHSA-N -1 0 236.271 1.373 50 0 BDAARM CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc21 ZINC000070390834 388436121 /nfs/dbraw/zinc/43/61/21/388436121.db2.gz GHGZWALOQNKEQD-JTQLQIEISA-N -1 0 249.266 1.096 50 0 BDAARM Cn1c(C(F)(F)F)nc2cncc(C(=O)[O-])c21 ZINC000521398295 388568977 /nfs/dbraw/zinc/56/89/77/388568977.db2.gz SUGFGGXFPNVDBQ-UHFFFAOYSA-N -1 0 245.160 1.685 50 0 BDAARM C[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000095970359 388797529 /nfs/dbraw/zinc/79/75/29/388797529.db2.gz SZKJSCXJBNZRNA-MNOVXSKESA-N -1 0 249.310 1.845 50 0 BDAARM CC[C@@H](C)Cn1nc(SC)[n-]c1=O ZINC000194578294 388823965 /nfs/dbraw/zinc/82/39/65/388823965.db2.gz GELNQMPZSANFLY-ZCFIWIBFSA-N -1 0 201.295 1.339 50 0 BDAARM CC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000006562852 322816312 /nfs/dbraw/zinc/81/63/12/322816312.db2.gz BCMVSJJHUCOPJR-UHFFFAOYSA-N -1 0 238.268 1.218 50 0 BDAARM CN1C(=O)CSc2ccc(C(=O)[O-])cc21 ZINC000001386944 132313976 /nfs/dbraw/zinc/31/39/76/132313976.db2.gz JHMLWQWKVSDFLZ-UHFFFAOYSA-N -1 0 223.253 1.453 50 0 BDAARM O=C([O-])[C@H]1CCCN(c2ccccn2)C1 ZINC000004384476 132316746 /nfs/dbraw/zinc/31/67/46/132316746.db2.gz QZQCXIGVFAOJNE-VIFPVBQESA-N -1 0 206.245 1.383 50 0 BDAARM O=C([O-])C(=O)N1CCCc2ccccc21 ZINC000019093150 132324273 /nfs/dbraw/zinc/32/42/73/132324273.db2.gz FBNDXNKYPCIUMD-UHFFFAOYSA-N -1 0 205.213 1.050 50 0 BDAARM Cc1ccc(N2N=C(C(=O)[O-])CCC2=O)cc1 ZINC000021951127 132332071 /nfs/dbraw/zinc/33/20/71/132332071.db2.gz 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LYOGCGLROQNWSZ-NSHDSACASA-N -1 0 237.299 1.953 50 0 BDAARM CSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000101848108 410795375 /nfs/dbraw/zinc/79/53/75/410795375.db2.gz BTCNZRGPEZLJHV-UHFFFAOYSA-N -1 0 234.280 1.660 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)OC(C)(C)C ZINC000062742043 166949178 /nfs/dbraw/zinc/94/91/78/166949178.db2.gz HPDNHXHMUBENMG-UHFFFAOYSA-N -1 0 231.292 1.964 50 0 BDAARM CC(C)OC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000034434789 167163535 /nfs/dbraw/zinc/16/35/35/167163535.db2.gz BOEQBJGCRDSQAI-SSDOTTSWSA-N -1 0 203.238 1.230 50 0 BDAARM CC(C)[C@@H](C)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000069685084 167349509 /nfs/dbraw/zinc/34/95/09/167349509.db2.gz ROQUGSXSYRZEQP-DTWKUNHWSA-N -1 0 215.293 1.458 50 0 BDAARM CC(C)[C@@H](NC(=O)c1ccc(N)cc1)C(=O)[O-] ZINC000033434393 167427776 /nfs/dbraw/zinc/42/77/76/167427776.db2.gz ZVDDSFYGWFRSGL-SNVBAGLBSA-N -1 0 236.271 1.108 50 0 BDAARM CC1(C)CC(=O)c2cc(C(=O)[O-])c(=O)[nH]c2C1 ZINC000006920315 167883608 /nfs/dbraw/zinc/88/36/08/167883608.db2.gz MQRMDFYECNBBTG-UHFFFAOYSA-N -1 0 235.239 1.228 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(O)c1 ZINC000071279209 168005251 /nfs/dbraw/zinc/00/52/51/168005251.db2.gz DBOVTCCKCJYOHX-UWVGGRQHSA-N -1 0 249.266 1.688 50 0 BDAARM CC(C)(C)CCCNC(=O)C1(C(=O)[O-])CC1 ZINC000119001275 411412793 /nfs/dbraw/zinc/41/27/93/411412793.db2.gz RWAABAOORPEHGZ-UHFFFAOYSA-N -1 0 227.304 1.794 50 0 BDAARM CCNC(=O)c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000020271570 170103063 /nfs/dbraw/zinc/10/30/63/170103063.db2.gz LCDWMZJVMHJDQB-MRVPVSSYSA-N -1 0 237.255 1.288 50 0 BDAARM CCOC(=O)[C@@H](c1ccccc1)S(=O)(=O)[O-] ZINC000001666929 170256010 /nfs/dbraw/zinc/25/60/10/170256010.db2.gz PCVCTIGKSSKWKX-SECBINFHSA-N -1 0 244.268 1.179 50 0 BDAARM CCOC(=O)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000000449108 170273575 /nfs/dbraw/zinc/27/35/75/170273575.db2.gz KDDBSOXJYRJAGU-SNVBAGLBSA-N -1 0 222.240 1.493 50 0 BDAARM CCOC(=O)C1=C([O-])c2ccccc2NC1 ZINC000000040658 170282082 /nfs/dbraw/zinc/28/20/82/170282082.db2.gz MVJOPRHICXQNLB-VIFPVBQESA-N -1 0 219.240 1.474 50 0 BDAARM CCOC(=O)C1=C([O-])c2ccccc2CC1 ZINC000005575546 170282198 /nfs/dbraw/zinc/28/21/98/170282198.db2.gz DOKKVPGOHCOXLC-NSHDSACASA-N -1 0 218.252 1.995 50 0 BDAARM CCOC(=O)C1=C([O-])c2cnc(C)cc2C1 ZINC000038917604 170282725 /nfs/dbraw/zinc/28/27/25/170282725.db2.gz ZFKCLYRGGDRTAW-VIFPVBQESA-N -1 0 219.240 1.308 50 0 BDAARM CCOC(=O)c1[nH]c(C=O)c(C(=O)[O-])c1C ZINC000002155791 170286356 /nfs/dbraw/zinc/28/63/56/170286356.db2.gz BGFLKFXXEDJGOZ-UHFFFAOYSA-N -1 0 225.200 1.011 50 0 BDAARM CCOC(=O)c1[nH]c(C(=O)[O-])c(CC)c1C ZINC000003122527 170286575 /nfs/dbraw/zinc/28/65/75/170286575.db2.gz MKNHWTOENPMOPQ-UHFFFAOYSA-N -1 0 225.244 1.760 50 0 BDAARM CCOC(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC000088611523 170301210 /nfs/dbraw/zinc/30/12/10/170301210.db2.gz MSQHZKSFFAUENN-UHFFFAOYSA-N -1 0 209.201 1.265 50 0 BDAARM CCOC(=O)c1ncc(C(=O)[O-])cc1Cl ZINC000043828137 170307815 /nfs/dbraw/zinc/30/78/15/170307815.db2.gz UDGFFHKENYPIQD-UHFFFAOYSA-N -1 0 229.619 1.610 50 0 BDAARM CCOC(=O)c1nnc(-c2ccccc2)[n-]c1=O ZINC000013144537 170309817 /nfs/dbraw/zinc/30/98/17/170309817.db2.gz IVZRAUQVYNSJNL-UHFFFAOYSA-N -1 0 245.238 1.421 50 0 BDAARM CCOC(=O)c1sc(C)c2c1[n-]cnc2=O ZINC000016667075 170310353 /nfs/dbraw/zinc/31/03/53/170310353.db2.gz QTEVXQPTSXEHKQ-UHFFFAOYSA-N -1 0 238.268 1.470 50 0 BDAARM CCOCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002069570 170348586 /nfs/dbraw/zinc/34/85/86/170348586.db2.gz HZAXVAUOMYFRHD-UHFFFAOYSA-N -1 0 223.228 1.360 50 0 BDAARM CCOc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000031533 170550926 /nfs/dbraw/zinc/55/09/26/170550926.db2.gz YXCPMPAALKOYQA-UHFFFAOYSA-N -1 0 237.255 1.889 50 0 BDAARM CCOc1ccc(S(=O)(=O)[O-])cc1 ZINC000002476469 170557110 /nfs/dbraw/zinc/55/71/10/170557110.db2.gz ZHNFOHFZWIRCNY-UHFFFAOYSA-N -1 0 202.231 1.332 50 0 BDAARM CCOc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000009816328 170581208 /nfs/dbraw/zinc/58/12/08/170581208.db2.gz HHIKIODIWMCIPG-UHFFFAOYSA-N -1 0 237.255 1.889 50 0 BDAARM CC[C@@](NC(C)=O)(C(=O)[O-])c1ccccc1 ZINC000059138772 171192743 /nfs/dbraw/zinc/19/27/43/171192743.db2.gz OMIBQLAHWCNOAZ-LBPRGKRZSA-N -1 0 221.256 1.513 50 0 BDAARM CC[C@@]([NH3+])(C(=O)[O-])c1ccc(C(=O)[O-])cc1 ZINC000003995785 171193403 /nfs/dbraw/zinc/19/34/03/171193403.db2.gz AIEFWRHRHFRLFT-NSHDSACASA-N -1 0 223.228 1.033 50 0 in-vitro BDAARM CC[C@H](C(=O)[O-])n1ncnc1Br ZINC000223250634 171238345 /nfs/dbraw/zinc/23/83/45/171238345.db2.gz SHOSBEVTSSGVLN-SCSAIBSYSA-N -1 0 234.053 1.076 50 0 BDAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCO1)C(=O)[O-] ZINC000050959054 171398423 /nfs/dbraw/zinc/39/84/23/171398423.db2.gz LGGVWDHSBIKDOX-GUBZILKMSA-N -1 0 243.303 1.171 50 0 BDAARM CCC1=C([O-])c2ccccc2S1(=O)=O ZINC000000339696 171603742 /nfs/dbraw/zinc/60/37/42/171603742.db2.gz QGORIRPNIXUMQP-QMMMGPOBSA-N -1 0 210.254 1.435 50 0 BDAARM CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])o1 ZINC000036974253 171783976 /nfs/dbraw/zinc/78/39/76/171783976.db2.gz FXUNTXREKOAOHH-SECBINFHSA-N -1 0 237.255 1.531 50 0 BDAARM CCc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)nc1 ZINC000065468857 171800940 /nfs/dbraw/zinc/80/09/40/171800940.db2.gz ZODKBGIBHWHHNR-JTQLQIEISA-N -1 0 248.282 1.077 50 0 BDAARM CCn1cc(-c2cc(C(=O)[O-])on2)c(C)n1 ZINC000002538064 172149364 /nfs/dbraw/zinc/14/93/64/172149364.db2.gz NSPMVACWQJCBIU-UHFFFAOYSA-N -1 0 221.216 1.565 50 0 BDAARM CCn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003272776 172241441 /nfs/dbraw/zinc/24/14/41/172241441.db2.gz FFEQVFZHBLPYNH-UHFFFAOYSA-N -1 0 218.212 1.115 50 0 BDAARM CCn1ncc2c1ncc(C(=O)[O-])c2Cl ZINC000021985094 172256251 /nfs/dbraw/zinc/25/62/51/172256251.db2.gz RWPIFKZAVJIZQK-UHFFFAOYSA-N -1 0 225.635 1.803 50 0 BDAARM CN1CCCC(=C([O-])c2ccncc2)C1=O ZINC000006658268 173040178 /nfs/dbraw/zinc/04/01/78/173040178.db2.gz CTTORJWIIBULRF-SNVBAGLBSA-N -1 0 218.256 1.133 50 0 BDAARM COCCCn1c(C)cc(C)c(C(=O)[O-])c1=O ZINC000049829582 174266897 /nfs/dbraw/zinc/26/68/97/174266897.db2.gz YFGSPIYTMNQEHX-UHFFFAOYSA-N -1 0 239.271 1.200 50 0 biogenic BDAARM COCCNc1nc(C)c(C(=O)[O-])s1 ZINC000008024702 174341968 /nfs/dbraw/zinc/34/19/68/174341968.db2.gz PGNPTZLUCLHHLA-UHFFFAOYSA-N -1 0 216.262 1.208 50 0 BDAARM COCc1nc2ccccc2n1[C@H](C)C(=O)[O-] ZINC000011735088 174644879 /nfs/dbraw/zinc/64/48/79/174644879.db2.gz FNSUBWQYDLVZDR-MRVPVSSYSA-N -1 0 234.255 1.828 50 0 BDAARM COc1cc2cc(C(=O)[O-])[nH]c2cc1OC ZINC000000489590 175026160 /nfs/dbraw/zinc/02/61/60/175026160.db2.gz UZHQHNDRVITJPL-UHFFFAOYSA-N -1 0 221.212 1.883 50 0 biogenic BDAARM COc1ccc(-c2cccc(C(=O)[O-])c2)nn1 ZINC000047476118 175034318 /nfs/dbraw/zinc/03/43/18/175034318.db2.gz PDZSHMXZQBOSJN-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000034259923 175048196 /nfs/dbraw/zinc/04/81/96/175048196.db2.gz WUVZUPQRHXCIKE-RDOCRHDPSA-N -1 0 249.266 1.298 50 0 BDAARM COc1ccc(C(=O)[O-])c(Br)n1 ZINC000095830102 175064488 /nfs/dbraw/zinc/06/44/88/175064488.db2.gz QAKXQUBZHUHURR-UHFFFAOYSA-N -1 0 232.033 1.551 50 0 BDAARM COc1ccc(C(=O)[O-])cc1N1CCCC1 ZINC000008703657 175064641 /nfs/dbraw/zinc/06/46/41/175064641.db2.gz DQFDXNXHHPYAJI-UHFFFAOYSA-N -1 0 221.256 1.994 50 0 BDAARM COc1ccc(COCCC(=O)[O-])cc1 ZINC000019965600 175113065 /nfs/dbraw/zinc/11/30/65/175113065.db2.gz GBHNOACOBCFCBY-UHFFFAOYSA-N -1 0 210.229 1.687 50 0 BDAARM COc1ccc(OC)c(C(F)(F)C(=O)[O-])c1 ZINC000055234232 175164344 /nfs/dbraw/zinc/16/43/44/175164344.db2.gz MXUPBXNWIKOFMX-UHFFFAOYSA-N -1 0 232.182 1.880 50 0 BDAARM COc1ccc2c(=O)ccn(CCC(=O)[O-])c2c1 ZINC000062718837 175203546 /nfs/dbraw/zinc/20/35/46/175203546.db2.gz LIFWOJPYHQPGDD-UHFFFAOYSA-N -1 0 247.250 1.485 50 0 biogenic BDAARM COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000004046486 175203948 /nfs/dbraw/zinc/20/39/48/175203948.db2.gz HJBKLHJMBSDFCB-UHFFFAOYSA-N -1 0 248.234 1.737 50 0 biogenic BDAARM COc1ccc2c(c1)CC[C@H](C(=O)[O-])C2 ZINC000002527128 175209673 /nfs/dbraw/zinc/20/96/73/175209673.db2.gz DSVHLKAPYHAYFF-JTQLQIEISA-N -1 0 206.241 1.885 50 0 BDAARM COc1ccc2c(c1)[C@H](CC(=O)[O-])C(=O)N2 ZINC000100008053 175215000 /nfs/dbraw/zinc/21/50/00/175215000.db2.gz KUMQZWGBZRNGQO-QMMMGPOBSA-N -1 0 221.212 1.206 50 0 BDAARM COc1ccc2cc(CCC(=O)[O-])c(=O)[nH]c2c1 ZINC000011981988 175224732 /nfs/dbraw/zinc/22/47/32/175224732.db2.gz FHDLLWDPZVGEAJ-UHFFFAOYSA-N -1 0 247.250 1.554 50 0 BDAARM COc1cccc(/C=C/C(=O)NCCC(=O)[O-])c1 ZINC000016891038 175240848 /nfs/dbraw/zinc/24/08/48/175240848.db2.gz DJAONBNMPBHYSV-AATRIKPKSA-N -1 0 249.266 1.299 50 0 BDAARM COc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000000266686 175275786 /nfs/dbraw/zinc/27/57/86/175275786.db2.gz UFHSYKGLJVRMNV-QMMMGPOBSA-N -1 0 235.239 1.133 50 0 BDAARM COc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC000006848891 175308621 /nfs/dbraw/zinc/30/86/21/175308621.db2.gz JGDJDKQYABTXBQ-UHFFFAOYSA-N -1 0 218.212 1.784 50 0 BDAARM COc1ccccc1-c1nnc(CC(=O)[O-])o1 ZINC000000409485 175311847 /nfs/dbraw/zinc/31/18/47/175311847.db2.gz FGRUPOMYGQEIFT-UHFFFAOYSA-N -1 0 234.211 1.372 50 0 BDAARM CSCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013166347 175460438 /nfs/dbraw/zinc/46/04/38/175460438.db2.gz RTSUQBNARNNVQE-UHFFFAOYSA-N -1 0 239.296 1.364 50 0 BDAARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[O-] ZINC000020283896 176003886 /nfs/dbraw/zinc/00/38/86/176003886.db2.gz KAIRTRFXVVCJNN-RXMQYKEDSA-N -1 0 202.156 1.817 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000108117857 176113574 /nfs/dbraw/zinc/11/35/74/176113574.db2.gz OTCUXKPIRZVVSN-OPRDCNLKSA-N -1 0 227.304 1.792 50 0 BDAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000035347425 176260345 /nfs/dbraw/zinc/26/03/45/176260345.db2.gz ZVDANOCPOWTULY-SECBINFHSA-N -1 0 249.266 1.246 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000013737161 176601068 /nfs/dbraw/zinc/60/10/68/176601068.db2.gz QUPIUYNKDWUNKQ-LPEHRKFASA-N -1 0 243.303 1.123 50 0 BDAARM C[C@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000005147800 176805562 /nfs/dbraw/zinc/80/55/62/176805562.db2.gz WQFVYGFYMSRCFT-LURJTMIESA-N -1 0 242.662 1.935 50 0 BDAARM C[C@H](OCCOc1ccccc1)C(=O)[O-] ZINC000019481600 177021197 /nfs/dbraw/zinc/02/11/97/177021197.db2.gz VYMWHOXHPAMUTR-VIFPVBQESA-N -1 0 210.229 1.555 50 0 BDAARM C[C@H](Oc1ccc(F)cc1F)C(=O)[O-] ZINC000004519978 177022919 /nfs/dbraw/zinc/02/29/19/177022919.db2.gz WAKAFGLBHPKARJ-YFKPBYRVSA-N -1 0 202.156 1.817 50 0 BDAARM C[C@H](SCCc1ccncc1)C(=O)[O-] ZINC000006571099 177026807 /nfs/dbraw/zinc/02/68/07/177026807.db2.gz LGYLJQDADOUQHJ-QMMMGPOBSA-N -1 0 211.286 1.830 50 0 in-vitro BDAARM C[C@H]1CCC[C@H](C(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000237529931 177129329 /nfs/dbraw/zinc/12/93/29/177129329.db2.gz ASEOQNVPPKXIDV-UWVGGRQHSA-N -1 0 239.315 1.888 50 0 BDAARM C[C@@H]1C[C@H](C)CN(C(=O)CCC(=O)[O-])C1 ZINC000000214579 177310288 /nfs/dbraw/zinc/31/02/88/177310288.db2.gz ISFAAXAYRTWLHT-DTORHVGOSA-N -1 0 213.277 1.356 50 0 BDAARM C[C@H]1C[C@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000111403448 177376505 /nfs/dbraw/zinc/37/65/05/177376505.db2.gz GMGUGHYTCXOLEX-JOYOIKCWSA-N -1 0 247.294 1.700 50 0 BDAARM C[C@]1(CC(=O)[O-])Sc2ccccc2NC1=O ZINC000006183893 177459693 /nfs/dbraw/zinc/45/96/93/177459693.db2.gz LAJHCUIQVHOKGD-LLVKDONJSA-N -1 0 237.280 1.964 50 0 BDAARM O=C([O-])CNC(=O)C[C@H]1CCc2ccccc21 ZINC000675947031 487794961 /nfs/dbraw/zinc/79/49/61/487794961.db2.gz DRSZPEIPKKGDJC-SNVBAGLBSA-N -1 0 233.267 1.307 50 0 BDAARM CCO[C@@H](CC)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136108770 323031028 /nfs/dbraw/zinc/03/10/28/323031028.db2.gz NUZHGKDVRDZOOK-UWVGGRQHSA-N -1 0 243.303 1.125 50 0 BDAARM Cc1[nH]ccc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000534645381 323156712 /nfs/dbraw/zinc/15/67/12/323156712.db2.gz HJKSEUWIZAWWGF-LBPRGKRZSA-N -1 0 236.271 1.402 50 0 BDAARM Cc1c[nH]c(CN(CC(=O)[O-])CC(C)C)n1 ZINC000534656901 323157994 /nfs/dbraw/zinc/15/79/94/323157994.db2.gz VMWLJNJPLFNJGK-UHFFFAOYSA-N -1 0 225.292 1.261 50 0 BDAARM O=C([O-])c1cncc(-c2cccc3ccnn32)n1 ZINC000534671556 323158704 /nfs/dbraw/zinc/15/87/04/323158704.db2.gz JVPQLAPPYNTGDG-UHFFFAOYSA-N -1 0 240.222 1.490 50 0 BDAARM O=C([O-])[C@@H]1CCc2nnn(C3CCCC3)c2C1 ZINC000536948759 323950651 /nfs/dbraw/zinc/95/06/51/323950651.db2.gz QCVDTIKTDICWMG-MRVPVSSYSA-N -1 0 235.287 1.583 50 0 BDAARM C=CCN(CC(=O)[O-])C(=O)C[C@H]1C=CCC1 ZINC000086138089 487486317 /nfs/dbraw/zinc/48/63/17/487486317.db2.gz KJDZTMCGZVLRMM-JTQLQIEISA-N -1 0 223.272 1.442 50 0 BDAARM O=C([O-])c1cc2c(Cl)[n-]c(Cl)nc-2n1 ZINC000238637746 490155427 /nfs/dbraw/zinc/15/54/27/490155427.db2.gz PLENHKVVLSUDKQ-UHFFFAOYSA-N -1 0 232.026 1.963 50 0 BDAARM O=C([O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000106788553 490396024 /nfs/dbraw/zinc/39/60/24/490396024.db2.gz ZKVHCSGIMKBCIM-JTQLQIEISA-N -1 0 219.240 1.514 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)c1nc(C(=O)[O-])cs1 ZINC000757126340 582501356 /nfs/dbraw/zinc/50/13/56/582501356.db2.gz VXSODXWAHMVKNG-UHNVWZDZSA-N -1 0 211.242 1.680 50 0 BDAARM O=C([O-])[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000217697418 526292567 /nfs/dbraw/zinc/29/25/67/526292567.db2.gz OZVZMPDVUMTGKV-NXEZZACHSA-N -1 0 208.213 1.228 50 0 BDAARM O=C([O-])CCn1ccc(Br)n1 ZINC000072339549 527603941 /nfs/dbraw/zinc/60/39/41/527603941.db2.gz JBUDARMPESLKOZ-UHFFFAOYSA-N -1 0 219.038 1.120 50 0 BDAARM CC(C)(C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719945009 566282066 /nfs/dbraw/zinc/28/20/66/566282066.db2.gz DFZPCWNPPWRZGC-UHFFFAOYSA-N -1 0 228.273 1.826 50 0 BDAARM O=C([O-])CN(C(=O)C1CC1)c1ccccc1 ZINC000020230799 590090887 /nfs/dbraw/zinc/09/08/87/590090887.db2.gz GDRVBEXGQNAUAW-UHFFFAOYSA-N -1 0 219.240 1.514 50 0 BDAARM COCCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000053732291 600113139 /nfs/dbraw/zinc/11/31/39/600113139.db2.gz ZSLGUWSNHVRQKY-UHFFFAOYSA-N -1 0 248.238 1.624 50 0 BDAARM CCCC[N@H+](CCC(=O)[O-])CP(C)(=O)[O-] ZINC000002464313 642353900 /nfs/dbraw/zinc/35/39/00/642353900.db2.gz DCBXVPBMOXLYCJ-UHFFFAOYSA-N -1 0 237.236 1.421 50 0 BDAARM COC(=O)[C@@H]1CC(C)=C[C@@H](C)[C@@H]1C(=O)[O-] ZINC000013451841 642870390 /nfs/dbraw/zinc/87/03/90/642870390.db2.gz CXSSUKMQLDUVRC-HLTSFMKQSA-N -1 0 212.245 1.463 50 0 BDAARM COC(=O)[C@H]1CCN1c1ccc(C(=O)[O-])cc1 ZINC000725345100 711664353 /nfs/dbraw/zinc/66/43/53/711664353.db2.gz GCTBSVMQYGFORA-SNVBAGLBSA-N -1 0 235.239 1.137 50 0 BDAARM CC(C)(O)CC(=O)[N-]Oc1ccc(F)cc1 ZINC000585129986 961861237 /nfs/dbraw/zinc/86/12/37/961861237.db2.gz DKSACZAIBANVQH-UHFFFAOYSA-N -1 0 227.235 1.397 50 0 BDAARM O=C([O-])COCc1ccc(Cl)nc1 ZINC000238613815 983081935 /nfs/dbraw/zinc/08/19/35/983081935.db2.gz GOZPZRKIZDFBEN-UHFFFAOYSA-N -1 0 201.609 1.336 50 0 BDAARM Cc1cccc(OC2CN(CCC(=O)[O-])C2)c1 ZINC001529187175 990335913 /nfs/dbraw/zinc/33/59/13/990335913.db2.gz OZFGIRKERYYSCI-UHFFFAOYSA-N -1 0 235.283 1.533 50 0 BDAARM COC(=O)c1ccc(CCC(=O)[O-])c(OC)c1 ZINC001529596316 990355233 /nfs/dbraw/zinc/35/52/33/990355233.db2.gz QBBCCVKMRDAVIN-UHFFFAOYSA-N -1 0 238.239 1.499 50 0 BDAARM Cc1cc(C)nc(N2CCC[C@H]2C(=O)[O-])n1 ZINC000004753854 177936742 /nfs/dbraw/zinc/93/67/42/177936742.db2.gz QYEOBTIRZQUURJ-VIFPVBQESA-N -1 0 221.260 1.147 50 0 BDAARM CN(CCC(=O)[O-])C(=O)CC[C@@H]1CCCOC1 ZINC000299752904 398141967 /nfs/dbraw/zinc/14/19/67/398141967.db2.gz VYKAQJJWVDQDAX-JTQLQIEISA-N -1 0 243.303 1.126 50 0 BDAARM CCC(CC)(NC(=O)C(C)C)C(=O)[O-] ZINC000084847400 168330234 /nfs/dbraw/zinc/33/02/34/168330234.db2.gz KXOYWCPMUDHRMG-UHFFFAOYSA-N -1 0 201.266 1.402 50 0 BDAARM Cc1cc(N(C)C)cc(C)c1CC(=O)[O-] ZINC000124581205 178095057 /nfs/dbraw/zinc/09/50/57/178095057.db2.gz XAZOGGQSYUTPDR-UHFFFAOYSA-N -1 0 207.273 1.997 50 0 BDAARM Nc1cc(C(=O)[O-])c(C(F)(F)F)cn1 ZINC000199747948 398205140 /nfs/dbraw/zinc/20/51/40/398205140.db2.gz QEPCCDFNELZRFI-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM O=C([O-])c1ccc(C2N=NC(=S)O2)cc1 ZINC000074942095 398210931 /nfs/dbraw/zinc/21/09/31/398210931.db2.gz YVUSBBGIDJYPPH-UHFFFAOYSA-N -1 0 222.225 1.724 50 0 BDAARM Cc1cc(NCCO)nc(-c2ccccc2[O-])n1 ZINC000001748427 178160939 /nfs/dbraw/zinc/16/09/39/178160939.db2.gz BAOVYPNHRHSNEZ-UHFFFAOYSA-N -1 0 245.282 1.562 50 0 BDAARM Cc1cc(=O)n2nc(Cc3ccccc3)[n-]c2n1 ZINC000009041973 178201960 /nfs/dbraw/zinc/20/19/60/178201960.db2.gz CKBVYPDWHOBMGT-UHFFFAOYSA-N -1 0 240.266 1.729 50 0 BDAARM CCC[C@H]1CCCCN1C(=O)[C@@H](C)C(=O)[O-] ZINC000165647018 538936458 /nfs/dbraw/zinc/93/64/58/538936458.db2.gz GIXVRHJKLQWEFI-ZJUUUORDSA-N -1 0 227.304 1.888 50 0 BDAARM Cc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000101186450 178284436 /nfs/dbraw/zinc/28/44/36/178284436.db2.gz OWOBDXFZSBXLDN-UHFFFAOYSA-N -1 0 208.213 1.855 50 0 BDAARM Cc1ccc(-n2cccn2)c(C(=O)[O-])c1 ZINC000040449003 178347288 /nfs/dbraw/zinc/34/72/88/178347288.db2.gz FILIVWMASJBSKK-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1ccc(C(=O)CS(=O)(=O)[O-])cc1 ZINC000002831622 178372671 /nfs/dbraw/zinc/37/26/71/178372671.db2.gz QDOMIQNXYIGAJY-UHFFFAOYSA-N -1 0 214.242 1.066 50 0 BDAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000062117482 178393652 /nfs/dbraw/zinc/39/36/52/178393652.db2.gz XALCIGRXYNVNSE-MRVPVSSYSA-N -1 0 239.296 1.603 50 0 BDAARM Cc1ccc(F)cc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000112617 342674971 /nfs/dbraw/zinc/67/49/71/342674971.db2.gz WBWKJDPXSLQGKZ-QMMMGPOBSA-N -1 0 237.230 1.572 50 0 BDAARM Cc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000113114 342675000 /nfs/dbraw/zinc/67/50/00/342675000.db2.gz NBQXYAJLUDQSNV-LLVKDONJSA-N -1 0 233.267 1.428 50 0 BDAARM O=C([O-])c1c[nH]c2ccc(Cl)cc2c1=O ZINC000000117338 342675343 /nfs/dbraw/zinc/67/53/43/342675343.db2.gz CDPXSMNKRFLXHU-UHFFFAOYSA-N -1 0 223.615 1.880 50 0 BDAARM O=C([O-])c1cc2cccc3c2n(c1=O)CC3 ZINC000000154339 342677795 /nfs/dbraw/zinc/67/77/95/342677795.db2.gz NEJGAPBPTIGUNY-UHFFFAOYSA-N -1 0 215.208 1.256 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000000158015 342677909 /nfs/dbraw/zinc/67/79/09/342677909.db2.gz RDZZYCFISJESTF-NSHDSACASA-N -1 0 245.278 1.087 50 0 BDAARM O=C([O-])c1csc(-c2cccnc2)n1 ZINC000000158787 342678125 /nfs/dbraw/zinc/67/81/25/342678125.db2.gz FOQFGMAZUTUELM-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=c1nc[n-]c2c3cccnc3sc21 ZINC000000171810 342679139 /nfs/dbraw/zinc/67/91/39/342679139.db2.gz XVEUJPQIDXXNFD-UHFFFAOYSA-N -1 0 203.226 1.533 50 0 BDAARM COc1cc(C(=O)[O-])ccc1OC(C)=O ZINC000000185066 342679371 /nfs/dbraw/zinc/67/93/71/342679371.db2.gz WTPDKEAYVAXNRO-UHFFFAOYSA-N -1 0 210.185 1.319 50 0 biogenic BDAARM Cc1cc([N-]S(=O)(=O)c2cccs2)no1 ZINC000000212587 342680311 /nfs/dbraw/zinc/68/03/11/342680311.db2.gz WJNBUNQVPIMIBV-UHFFFAOYSA-N -1 0 244.297 1.845 50 0 BDAARM O=C([O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000000216942 342680450 /nfs/dbraw/zinc/68/04/50/342680450.db2.gz ZFHIOWPHEFPSPA-UHFFFAOYSA-N -1 0 219.196 1.038 50 0 BDAARM O=C([O-])c1cccc(N2CCCC2=O)c1 ZINC000000257733 342681335 /nfs/dbraw/zinc/68/13/35/342681335.db2.gz QESXXFDZRITHKE-UHFFFAOYSA-N -1 0 205.213 1.512 50 0 BDAARM O=S(=O)([N-]c1ccccc1)C(F)(F)F ZINC000000372218 342685345 /nfs/dbraw/zinc/68/53/45/342685345.db2.gz OXDSKEQSEGDAFN-UHFFFAOYSA-N -1 0 225.191 1.948 50 0 BDAARM C[C@@H](C(=O)[O-])[C@@H]1Sc2ccccc2NC1=O ZINC000000712161 342692060 /nfs/dbraw/zinc/69/20/60/342692060.db2.gz ZHJBCDJUOASXOM-MUWHJKNJSA-N -1 0 237.280 1.820 50 0 BDAARM CCc1c([O-])nc2[nH]c3ccccc3n2c1=O ZINC000002325281 342718706 /nfs/dbraw/zinc/71/87/06/342718706.db2.gz ORIDXBGMYCXNML-UHFFFAOYSA-N -1 0 229.239 1.444 50 0 BDAARM O=C1[N-]C(=O)[C@@H](Nc2ccccc2)S1 ZINC000001201501 342698383 /nfs/dbraw/zinc/69/83/83/342698383.db2.gz CZKJOYVNKGANKU-QMMMGPOBSA-N -1 0 208.242 1.408 50 0 BDAARM Cc1ccc2c(c1)[C@H](N(C)C)C(=O)N2CC(=O)[O-] ZINC000096027436 342698759 /nfs/dbraw/zinc/69/87/59/342698759.db2.gz SWPWAHFNBIQCQS-LBPRGKRZSA-N -1 0 248.282 1.029 50 0 BDAARM Cc1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000001426299 342700763 /nfs/dbraw/zinc/70/07/63/342700763.db2.gz VNFXYWDWGNLTLV-UHFFFAOYSA-N -1 0 223.228 1.035 50 0 BDAARM CCN(CC)C(=O)Oc1cnccc1C(=O)[O-] ZINC000001433313 342700956 /nfs/dbraw/zinc/70/09/56/342700956.db2.gz RHWZUWMMDWXKLZ-UHFFFAOYSA-N -1 0 238.243 1.620 50 0 BDAARM Nc1ccc(C(=O)[O-])c(Br)c1 ZINC000001566365 342703421 /nfs/dbraw/zinc/70/34/21/342703421.db2.gz AQBXIOGPHBWBFP-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 in-vitro BDAARM Nc1ccc(Cl)c(S(=O)(=O)[O-])c1 ZINC000001706908 342710201 /nfs/dbraw/zinc/71/02/01/342710201.db2.gz VPXCXBHLKDPWQV-UHFFFAOYSA-N -1 0 207.638 1.169 50 0 BDAARM COc1cc(C=O)ccc1OCCCC(=O)[O-] ZINC000002028956 342714902 /nfs/dbraw/zinc/71/49/02/342714902.db2.gz WKFFJPNYTCCXSM-UHFFFAOYSA-N -1 0 238.239 1.751 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCCC1 ZINC000004155532 342743190 /nfs/dbraw/zinc/74/31/90/342743190.db2.gz MFFWEFPNGDBSLN-NXEZZACHSA-N -1 0 223.272 1.276 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000004242009 342745211 /nfs/dbraw/zinc/74/52/11/342745211.db2.gz QFVJNEASAAJIDF-SSDOTTSWSA-N -1 0 215.249 1.374 50 0 in-vitro BDAARM Cc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC000004287771 342746037 /nfs/dbraw/zinc/74/60/37/342746037.db2.gz WIULYDQJIFTHIK-UHFFFAOYSA-N -1 0 217.228 1.333 50 0 BDAARM O=C([O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000002520435 342722202 /nfs/dbraw/zinc/72/22/02/342722202.db2.gz GKKWONDBUXUCHF-VIFPVBQESA-N -1 0 223.203 1.263 50 0 BDAARM O=C([O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000002520440 342722261 /nfs/dbraw/zinc/72/22/61/342722261.db2.gz WUHKWNJTHHFDNQ-ZETCQYMHSA-N -1 0 223.203 1.263 50 0 BDAARM Cc1ccc(OCn2ccc(C(=O)[O-])n2)cc1 ZINC000002535571 342723087 /nfs/dbraw/zinc/72/30/87/342723087.db2.gz KGWDJUXBLRDSDY-UHFFFAOYSA-N -1 0 232.239 1.926 50 0 BDAARM C[C@@](O)(C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000002547743 342723707 /nfs/dbraw/zinc/72/37/07/342723707.db2.gz XFZJIHDLEUDRJM-VIFPVBQESA-N -1 0 234.173 1.998 50 0 BDAARM Nc1c(C(=O)[O-])cnn1-c1ccc(F)cc1 ZINC000002574874 342725194 /nfs/dbraw/zinc/72/51/94/342725194.db2.gz MZPQLGKWWLMKEO-UHFFFAOYSA-N -1 0 221.191 1.292 50 0 BDAARM O=C([O-])c1nc2ccccn2c1Br ZINC000002578042 342725208 /nfs/dbraw/zinc/72/52/08/342725208.db2.gz UHBDEEITGHGHKK-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM CC(C)(C)OC(=O)N1CCS[C@H](C(=O)[O-])C1 ZINC000002581099 342725598 /nfs/dbraw/zinc/72/55/98/342725598.db2.gz VJGKMSGPYQNGGK-ZETCQYMHSA-N -1 0 247.316 1.424 50 0 BDAARM CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)[O-] ZINC000002583070 342725805 /nfs/dbraw/zinc/72/58/05/342725805.db2.gz HYAXPNDMEODKHI-ZCFIWIBFSA-N -1 0 233.289 1.381 50 0 BDAARM CC1(C)OC(=O)c2c1cccc2C(=O)[O-] ZINC000003473052 342733693 /nfs/dbraw/zinc/73/36/93/342733693.db2.gz XQCLRXZPFMPKDQ-UHFFFAOYSA-N -1 0 206.197 1.790 50 0 BDAARM CCCC[C@@H](CC)CNC(=O)COCC(=O)[O-] ZINC000004784758 342752058 /nfs/dbraw/zinc/75/20/58/342752058.db2.gz MFSJFUQXARXQJR-SNVBAGLBSA-N -1 0 245.319 1.420 50 0 BDAARM CCOC(=O)c1nc(NC(=O)[C@@H](C)CC)c[nH]1 ZINC000170614484 361876012 /nfs/dbraw/zinc/87/60/12/361876012.db2.gz LCVNGTPTFJYHHA-ZETCQYMHSA-N -1 0 239.275 1.571 50 0 BDAARM O=S(=O)([O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000006445991 342778045 /nfs/dbraw/zinc/77/80/45/342778045.db2.gz JIBBHTOBDRHTPO-UHFFFAOYSA-N -1 0 232.648 1.463 50 0 BDAARM O=C([O-])c1cccnc1NCc1cccnc1 ZINC000005616462 342767443 /nfs/dbraw/zinc/76/74/43/342767443.db2.gz RDEYKVRQQFSXOE-UHFFFAOYSA-N -1 0 229.239 1.787 50 0 BDAARM O=C([O-])c1ccc(CNCc2cccnc2)o1 ZINC000008702266 342802719 /nfs/dbraw/zinc/80/27/19/342802719.db2.gz VJKZJRSOKVCZNU-UHFFFAOYSA-N -1 0 232.239 1.663 50 0 BDAARM Cc1[nH]c(-c2ccccn2)nc1C(=O)[O-] ZINC000020445613 342789704 /nfs/dbraw/zinc/78/97/04/342789704.db2.gz MXKDKJMIQMJMTH-UHFFFAOYSA-N -1 0 203.201 1.478 50 0 BDAARM COc1ccc(C=O)c(O[C@H](C)C(=O)[O-])c1 ZINC000043629036 342797548 /nfs/dbraw/zinc/79/75/48/342797548.db2.gz WAZWZZZKIHAAKN-SSDOTTSWSA-N -1 0 224.212 1.360 50 0 BDAARM O=C([O-])c1cc(=O)c2cccc(O)c2[nH]1 ZINC000008738372 342804056 /nfs/dbraw/zinc/80/40/56/342804056.db2.gz FBZONXHGGPHHIY-UHFFFAOYSA-N -1 0 205.169 1.344 50 0 endogenous,in-man BDAARM O=C([O-])c1cccn(Cc2cccc(F)c2)c1=O ZINC000008769007 342804713 /nfs/dbraw/zinc/80/47/13/342804713.db2.gz YSFIOBPLMUNQEI-UHFFFAOYSA-N -1 0 247.225 1.734 50 0 BDAARM O=C([O-])c1ccc(Cn2cccn2)s1 ZINC000012357617 342849742 /nfs/dbraw/zinc/84/97/42/342849742.db2.gz SHJNJZMFMCCRON-UHFFFAOYSA-N -1 0 208.242 1.691 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000011890706 342844204 /nfs/dbraw/zinc/84/42/04/342844204.db2.gz LTUZWGRJHXDJQU-JTQLQIEISA-N -1 0 237.230 1.515 50 0 BDAARM Cc1ncc(Br)cc1C(=O)[O-] ZINC000012958671 342862113 /nfs/dbraw/zinc/86/21/13/342862113.db2.gz WOVLKYARFQYAMN-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM Cn1c(COCC(=O)[O-])nc2ccccc21 ZINC000014001484 342875704 /nfs/dbraw/zinc/87/57/04/342875704.db2.gz OTVNOCARSDKQRA-UHFFFAOYSA-N -1 0 220.228 1.175 50 0 BDAARM COc1cc(C(=O)[O-])c(OC)c2c1OCO2 ZINC000014725487 342885603 /nfs/dbraw/zinc/88/56/03/342885603.db2.gz XEZGWUNLELQKOP-UHFFFAOYSA-N -1 0 226.184 1.131 50 0 BDAARM CCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O ZINC000018244390 342935595 /nfs/dbraw/zinc/93/55/95/342935595.db2.gz UIHHDMDYUYLVLQ-SNVBAGLBSA-N -1 0 232.287 1.842 50 0 BDAARM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000019487801 342949820 /nfs/dbraw/zinc/94/98/20/342949820.db2.gz ZGNBKHDSWBUSTG-RNFRBKRXSA-N -1 0 217.290 1.019 50 0 BDAARM CC(=O)C(=C(C)O)c1ccccc1C(=O)[O-] ZINC000020286881 342980594 /nfs/dbraw/zinc/98/05/94/342980594.db2.gz CKPUMDIQROCRDB-UHFFFAOYSA-N -1 0 220.224 1.646 50 0 BDAARM Cn1ccc(CNc2ccc(C(=O)[O-])c(O)c2)n1 ZINC000020353731 342982809 /nfs/dbraw/zinc/98/28/09/342982809.db2.gz ICEWNJQYLKXUPH-UHFFFAOYSA-N -1 0 247.254 1.436 50 0 BDAARM Cc1c(C(=O)[O-])nnn1Cc1cc(C)ccc1C ZINC000050215211 178478987 /nfs/dbraw/zinc/47/89/87/178478987.db2.gz QXYYHZKYMVQRQN-UHFFFAOYSA-N -1 0 245.282 1.950 50 0 BDAARM COC(=O)C=C([O-])c1cc(C2CC2)[nH]n1 ZINC000020446764 342985762 /nfs/dbraw/zinc/98/57/62/342985762.db2.gz PEEXOYAYXUNHRY-UHFFFAOYSA-N -1 0 208.217 1.033 50 0 BDAARM Cc1nc(CN[C@H](C)C(=O)[O-])cs1 ZINC000021951754 343029289 /nfs/dbraw/zinc/02/92/89/343029289.db2.gz DQBGNVNMHNJJHS-RXMQYKEDSA-N -1 0 200.263 1.014 50 0 BDAARM CC[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000022220588 343044920 /nfs/dbraw/zinc/04/49/20/343044920.db2.gz MFVGNVWWWJGWNR-PWSUYJOCSA-N -1 0 249.310 1.845 50 0 BDAARM CCCCOC(=O)c1cccc(C(=O)[O-])n1 ZINC000005951543 343063318 /nfs/dbraw/zinc/06/33/18/343063318.db2.gz UPXKNDJWVDXVCM-UHFFFAOYSA-N -1 0 223.228 1.737 50 0 BDAARM CN(C)c1ncc(Br)c(C(=O)[O-])n1 ZINC000026439224 343105275 /nfs/dbraw/zinc/10/52/75/343105275.db2.gz VXAFRZOSKKWZTI-UHFFFAOYSA-N -1 0 246.064 1.003 50 0 BDAARM Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)[O-])CO2 ZINC000032917170 343244247 /nfs/dbraw/zinc/24/42/47/343244247.db2.gz UCAKNMPZFMRRGQ-QMMMGPOBSA-N -1 0 235.239 1.417 50 0 BDAARM O=C([O-])c1ccc(C(=O)NC2CC2)cc1 ZINC000035085192 343283881 /nfs/dbraw/zinc/28/38/81/343283881.db2.gz BAUPDUHOTZXEBH-UHFFFAOYSA-N -1 0 205.213 1.277 50 0 BDAARM CC[C@@H](C(=O)[O-])c1cn2cccnc2n1 ZINC000034925059 343280305 /nfs/dbraw/zinc/28/03/05/343280305.db2.gz MVOSXTICSYHNIT-SSDOTTSWSA-N -1 0 205.217 1.308 50 0 BDAARM CC(C)c1nnc2ccc(C(=O)[O-])cn21 ZINC000034924971 343280363 /nfs/dbraw/zinc/28/03/63/343280363.db2.gz HPWZAVFUAMIBIS-UHFFFAOYSA-N -1 0 205.217 1.551 50 0 BDAARM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000036831509 343325087 /nfs/dbraw/zinc/32/50/87/343325087.db2.gz KTTWUNXJQQFZLT-NSHDSACASA-N -1 0 235.283 1.599 50 0 BDAARM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000036947043 343328376 /nfs/dbraw/zinc/32/83/76/343328376.db2.gz JEXGOOAPTSDTCD-LLVKDONJSA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])c1cc2c(cc1F)NC(=O)CC2 ZINC000035348144 343294276 /nfs/dbraw/zinc/29/42/76/343294276.db2.gz SAJMBBKTNYDWGD-UHFFFAOYSA-N -1 0 209.176 1.409 50 0 BDAARM CN(C)[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000037358259 343343913 /nfs/dbraw/zinc/34/39/13/343343913.db2.gz JZGLXYSGNXGPCJ-VIFPVBQESA-N -1 0 215.199 1.652 50 0 biogenic BDAARM O=C([O-])c1cccc(-c2cccnc2)n1 ZINC000039117511 343385204 /nfs/dbraw/zinc/38/52/04/343385204.db2.gz JDIWAIVHNHCTTG-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM O=S(=O)([O-])c1cccc(Br)c1 ZINC000039391955 343389439 /nfs/dbraw/zinc/38/94/39/343389439.db2.gz QDWTXRWOKORYQH-UHFFFAOYSA-N -1 0 237.074 1.696 50 0 BDAARM CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000039959550 343394208 /nfs/dbraw/zinc/39/42/08/343394208.db2.gz QZMOGBLDXPANBR-LLVKDONJSA-N -1 0 207.229 1.123 50 0 biogenic BDAARM CC(C)C[C@@H](C(=O)[O-])n1cccc1C=O ZINC000040488293 343405200 /nfs/dbraw/zinc/40/52/00/343405200.db2.gz IFNRDWSKKNGFGN-JTQLQIEISA-N -1 0 209.245 1.972 50 0 BDAARM C[C@H](C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000040740242 343408755 /nfs/dbraw/zinc/40/87/55/343408755.db2.gz STBCWDXXDFGWBA-ZETCQYMHSA-N -1 0 228.269 1.278 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccsc2)C1 ZINC000044676302 343511486 /nfs/dbraw/zinc/51/14/86/343511486.db2.gz KHSAVTUDWAUDRS-MRVPVSSYSA-N -1 0 225.269 1.181 50 0 BDAARM Cc1ccc(N2CCS[C@H]2C(=O)[O-])cc1 ZINC000004599797 343502762 /nfs/dbraw/zinc/50/27/62/343502762.db2.gz JZTNITXHWUANHS-JTQLQIEISA-N -1 0 223.297 1.959 50 0 BDAARM O=C([O-])c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000048215281 343573151 /nfs/dbraw/zinc/57/31/51/343573151.db2.gz UACXQAZNLXMPKB-UHFFFAOYSA-N -1 0 233.179 1.769 50 0 BDAARM O=C([O-])c1c[nH]n(-c2cc(F)cc(F)c2)c1=O ZINC000575602587 343591769 /nfs/dbraw/zinc/59/17/69/343591769.db2.gz OVDSNRLISZFBLW-UHFFFAOYSA-N -1 0 240.165 1.554 50 0 BDAARM CC1(C)c2cc([S@@](=O)[O-])ccc2NC1=O ZINC000082540077 537806735 /nfs/dbraw/zinc/80/67/35/537806735.db2.gz XLYMMRYSDFCACU-UHFFFAOYSA-N -1 0 225.269 1.497 50 0 BDAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccncc1 ZINC000070272710 343950223 /nfs/dbraw/zinc/95/02/23/343950223.db2.gz RUIQIGMFUGOJAU-CMPLNLGQSA-N -1 0 248.282 1.466 50 0 BDAARM C/C=C(\C)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000585135280 344148174 /nfs/dbraw/zinc/14/81/74/344148174.db2.gz FLKJFIBPIHZDLO-QPJJXVBHSA-N -1 0 237.255 1.869 50 0 BDAARM CCCc1cc(=O)n2nc(NC(=O)CC)[n-]c2n1 ZINC000004741971 344155287 /nfs/dbraw/zinc/15/52/87/344155287.db2.gz CAIMETPZDFDSOF-UHFFFAOYSA-N -1 0 249.274 1.131 50 0 BDAARM COC[C@@H]1C[C@@]1(C(=O)[O-])c1ccccc1 ZINC000072233319 344518738 /nfs/dbraw/zinc/51/87/38/344518738.db2.gz AKJQYQQOUSQYDX-CMPLNLGQSA-N -1 0 206.241 1.675 50 0 BDAARM Cc1csc([N-]S(=O)(=O)CC(C)C)n1 ZINC000000103707 344524566 /nfs/dbraw/zinc/52/45/66/344524566.db2.gz XVRQLZIZPNAMMB-UHFFFAOYSA-N -1 0 234.346 1.849 50 0 BDAARM COC(=O)C1=C([O-])c2c(C)noc2CC1(C)C ZINC000000287422 344678012 /nfs/dbraw/zinc/67/80/12/344678012.db2.gz WNXLLQUPJSNZMI-VIFPVBQESA-N -1 0 237.255 1.537 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1cc(Cl)ccc1O ZINC000005137631 344966355 /nfs/dbraw/zinc/96/63/55/344966355.db2.gz BUSNWOXTYXOIGD-ONEGZZNKSA-N -1 0 241.630 1.625 50 0 BDAARM CO[C@H](C(=O)[O-])c1cc(F)cc(F)c1 ZINC000118683362 537928988 /nfs/dbraw/zinc/92/89/88/537928988.db2.gz ZGAAFRQSQHBMLM-QMMMGPOBSA-N -1 0 202.156 1.737 50 0 BDAARM Cc1ccc2cccc(S(=O)(=O)[O-])c2n1 ZINC000012404633 178971966 /nfs/dbraw/zinc/97/19/66/178971966.db2.gz ZSBMDUMZTUVHRL-UHFFFAOYSA-N -1 0 223.253 1.790 50 0 BDAARM Cc1cccc(-n2c(=O)cc([O-])[nH]c2=S)c1C ZINC000008739783 178999853 /nfs/dbraw/zinc/99/98/53/178999853.db2.gz VUYRITGYMYJHJC-UHFFFAOYSA-N -1 0 248.307 1.844 50 0 BDAARM Cc1cccc(C)c1N1C[C@H](C(=O)[O-])CC1=O ZINC000005001328 179039814 /nfs/dbraw/zinc/03/98/14/179039814.db2.gz PMFQUYSCBXNYOR-SNVBAGLBSA-N -1 0 233.267 1.741 50 0 BDAARM Cc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000037719159 179088481 /nfs/dbraw/zinc/08/84/81/179088481.db2.gz WLFVIHJSSHNUDX-QWRGUYRKSA-N -1 0 233.267 1.332 50 0 BDAARM CCCCCC[C@H](CC(=O)[O-])NC(C)=O ZINC000002839281 346535928 /nfs/dbraw/zinc/53/59/28/346535928.db2.gz VMIOCPMZZAXBSE-SNVBAGLBSA-N -1 0 215.293 1.936 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)Nc1cccnc1 ZINC000004675875 346606272 /nfs/dbraw/zinc/60/62/72/346606272.db2.gz AMJTXOKTLVJSQV-QMMMGPOBSA-N -1 0 222.244 1.521 50 0 BDAARM Cc1cccc([C@H]2N[C@@H](C(=O)[O-])CS2)c1 ZINC000000240220 179205572 /nfs/dbraw/zinc/20/55/72/179205572.db2.gz DGIGORABYWFPSU-ZJUUUORDSA-N -1 0 223.297 1.783 50 0 BDAARM Cc1cccc2c(=O)n(CCCC(=O)[O-])cnc12 ZINC000008037149 179208245 /nfs/dbraw/zinc/20/82/45/179208245.db2.gz CCBNXKHQIYFBSE-UHFFFAOYSA-N -1 0 246.266 1.570 50 0 BDAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(N)=O ZINC000012998131 179323468 /nfs/dbraw/zinc/32/34/68/179323468.db2.gz JAGHAYFBBUXGSX-SECBINFHSA-N -1 0 222.244 1.179 50 0 BDAARM Cc1ccccc1[C@@H]1CN(CC(=O)[O-])[C@@H](C)CO1 ZINC000237707430 179330585 /nfs/dbraw/zinc/33/05/85/179330585.db2.gz MFDZMLKUMXJPBO-AAEUAGOBSA-N -1 0 249.310 1.841 50 0 BDAARM Cc1nn(C)c(C(F)(F)F)c1C(=O)[O-] ZINC000072295225 191004174 /nfs/dbraw/zinc/00/41/74/191004174.db2.gz GOHHCEGCQPODCB-UHFFFAOYSA-N -1 0 208.139 1.446 50 0 BDAARM Cc1nc(NC#N)[n-]c(=O)c1Oc1ccccc1 ZINC000013477654 180004483 /nfs/dbraw/zinc/00/44/83/180004483.db2.gz YLURIWQDPHYAPS-UHFFFAOYSA-N -1 0 242.238 1.764 50 0 BDAARM Cc1nc2cccc(Cl)n2c1C(=O)[O-] ZINC000002569630 180100259 /nfs/dbraw/zinc/10/02/59/180100259.db2.gz KGGHLBBFRZSXPG-UHFFFAOYSA-N -1 0 210.620 1.994 50 0 BDAARM COc1ccc(CNC(=O)/C(C)=C\C(=O)[O-])cc1 ZINC000012362098 350199078 /nfs/dbraw/zinc/19/90/78/350199078.db2.gz QCVIKTDSXGOLKU-CLFYSBASSA-N -1 0 249.266 1.342 50 0 BDAARM O=Cc1cccc(-c2ccc(C(=O)[O-])o2)n1 ZINC000725261165 538085563 /nfs/dbraw/zinc/08/55/63/538085563.db2.gz RFPYBHBWRNCWJC-UHFFFAOYSA-N -1 0 217.180 1.852 50 0 BDAARM Cc1nn(-c2ccc(N)cn2)c(C)c1C(=O)[O-] ZINC000001390087 180328892 /nfs/dbraw/zinc/32/88/92/180328892.db2.gz OLSABHHNKSEXBM-UHFFFAOYSA-N -1 0 232.243 1.165 50 0 BDAARM Cc1nn(C[C@@H](C)C(=O)[O-])c(C)c1Cl ZINC000002732011 180391259 /nfs/dbraw/zinc/39/12/59/180391259.db2.gz BAKDQYHGSMTKMU-RXMQYKEDSA-N -1 0 216.668 1.874 50 0 BDAARM Cc1nn([C@@H](C)C(=O)[O-])c(C)c1Cl ZINC000002731905 180391971 /nfs/dbraw/zinc/39/19/71/180391971.db2.gz ZFBIVBZRAMXENI-LURJTMIESA-N -1 0 202.641 1.799 50 0 BDAARM Cc1nn(CCC(=O)[O-])c(=O)c2ccccc12 ZINC000004542368 180387143 /nfs/dbraw/zinc/38/71/43/180387143.db2.gz JPTHBLUOBPHXEN-UHFFFAOYSA-N -1 0 232.239 1.180 50 0 BDAARM Cc1sc2ncn(CC(=O)[O-])c(=O)c2c1C ZINC000000279657 180559457 /nfs/dbraw/zinc/55/94/57/180559457.db2.gz NBUKSDVQXRNITA-UHFFFAOYSA-N -1 0 238.268 1.159 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)c1cc(Cl)c[nH]1 ZINC000034973946 351368463 /nfs/dbraw/zinc/36/84/63/351368463.db2.gz ITJLOLJJHMWYJP-UHFFFAOYSA-N -1 0 244.678 1.605 50 0 BDAARM Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)[O-])o1 ZINC000004784802 187585867 /nfs/dbraw/zinc/58/58/67/187585867.db2.gz ZNKIGPITZKIXCO-MRVPVSSYSA-N -1 0 239.271 1.705 50 0 BDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCCCC1 ZINC000034926383 187594760 /nfs/dbraw/zinc/59/47/60/187594760.db2.gz HSPXOWOCHHGYFT-RKDXNWHRSA-N -1 0 225.288 1.356 50 0 BDAARM CC(=O)Nc1nc2c(s1)CC[C@H]2C(=O)[O-] ZINC000043830592 187606247 /nfs/dbraw/zinc/60/62/47/187606247.db2.gz OVIKNVWLRJDMGL-RXMQYKEDSA-N -1 0 226.257 1.216 50 0 BDAARM CC(C)C[C@@H](Nc1ncccn1)C(=O)[O-] ZINC000041090764 187630468 /nfs/dbraw/zinc/63/04/68/187630468.db2.gz PFKMPLMKXXHELD-MRVPVSSYSA-N -1 0 209.249 1.388 50 0 BDAARM COc1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000039208528 363207335 /nfs/dbraw/zinc/20/73/35/363207335.db2.gz GEFMBCVBUSXTLO-UHFFFAOYSA-N -1 0 218.212 1.579 50 0 BDAARM CC(=O)Oc1ccc(C(=O)[O-])cc1OC(C)=O ZINC000000389339 188268855 /nfs/dbraw/zinc/26/88/55/188268855.db2.gz FJVSTYFZOUSZCS-UHFFFAOYSA-N -1 0 238.195 1.235 50 0 biogenic BDAARM Oc1cccnc1I ZINC000000160343 188272570 /nfs/dbraw/zinc/27/25/70/188272570.db2.gz HJBGMPCMSWJZNH-UHFFFAOYSA-N -1 0 220.997 1.392 50 0 BDAARM CC(=O)N[C@@H](CSc1ccccc1)C(=O)[O-] ZINC000001576651 188273794 /nfs/dbraw/zinc/27/37/94/188273794.db2.gz CICOZWHZVMOPJS-JTQLQIEISA-N -1 0 239.296 1.368 50 0 endogenous,in-man BDAARM Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC000001689743 188274545 /nfs/dbraw/zinc/27/45/45/188274545.db2.gz NEECEUZBAHTVIN-UHFFFAOYSA-N -1 0 207.638 1.169 50 0 BDAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000002513922 188275047 /nfs/dbraw/zinc/27/50/47/188275047.db2.gz OGMIMMRKTFZDKW-JTQLQIEISA-N -1 0 205.213 1.049 50 0 BDAARM CC(=O)C=C([O-])c1ccc2c(c1)OCCO2 ZINC000003984956 188275274 /nfs/dbraw/zinc/27/52/74/188275274.db2.gz YTYVRFQEADAYAE-UHFFFAOYSA-N -1 0 220.224 1.620 50 0 BDAARM CC(=O)N/C(=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC000004709761 188276832 /nfs/dbraw/zinc/27/68/32/188276832.db2.gz SWUMDDFBFZVMFJ-POHAHGRESA-N -1 0 239.658 1.902 50 0 BDAARM CC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000012504819 188279827 /nfs/dbraw/zinc/27/98/27/188279827.db2.gz CZHBKBNENRJYDU-LLVKDONJSA-N -1 0 221.256 1.647 50 0 BDAARM Cc1cccc(C(=O)Nc2ncccc2O)n1 ZINC000048425343 188297991 /nfs/dbraw/zinc/29/79/91/188297991.db2.gz KZFYDIJSUPRPPM-UHFFFAOYSA-N -1 0 229.239 1.743 50 0 BDAARM COc1ccc(CNc2nc(=O)c(C)n[n-]2)cc1 ZINC000007996449 188332562 /nfs/dbraw/zinc/33/25/62/188332562.db2.gz PAPMKEWCNHTNJN-UHFFFAOYSA-N -1 0 246.270 1.094 50 0 BDAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC000006426783 188337725 /nfs/dbraw/zinc/33/77/25/188337725.db2.gz MGZUZAIWOWGBJM-VQHVLOKHSA-N -1 0 219.240 1.964 50 0 BDAARM COc1ncc(C(=O)[O-])c(C)c1Br ZINC000215666112 188355796 /nfs/dbraw/zinc/35/57/96/188355796.db2.gz JUGSEVNFBJPLBS-UHFFFAOYSA-N -1 0 246.060 1.859 50 0 BDAARM O=c1c2nc[nH]c2nnn1-c1ccc(Cl)cc1 ZINC000001414527 353513141 /nfs/dbraw/zinc/51/31/41/353513141.db2.gz XEZHRBTXLRIZBK-UHFFFAOYSA-N -1 0 247.645 1.157 50 0 BDAARM O=C([O-])Cc1ccc([S@](=O)C2CC2)cc1 ZINC000166582860 355697915 /nfs/dbraw/zinc/69/79/15/355697915.db2.gz SLBVFDSGLFSPGD-OAHLLOKOSA-N -1 0 224.281 1.584 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000019438169 356482646 /nfs/dbraw/zinc/48/26/46/356482646.db2.gz PJUQXOAKQPTOKA-GHMZBOCLSA-N -1 0 237.299 1.808 50 0 BDAARM CCn1nccc1-c1noc(C)c1C(=O)[O-] ZINC000675057956 538480910 /nfs/dbraw/zinc/48/09/10/538480910.db2.gz SVALIFXXJVDOLR-UHFFFAOYSA-N -1 0 221.216 1.565 50 0 BDAARM CN(CC(=O)[O-])c1nnc(C(F)(F)F)s1 ZINC000160237481 538884128 /nfs/dbraw/zinc/88/41/28/538884128.db2.gz IJHHMECOPSHLTH-UHFFFAOYSA-N -1 0 241.194 1.078 50 0 BDAARM CCc1n[nH]cc1N1CCC[C@H](C(=O)[O-])C1 ZINC000685948344 538890224 /nfs/dbraw/zinc/89/02/24/538890224.db2.gz IZKGLCLQNYRWME-QMMMGPOBSA-N -1 0 223.276 1.273 50 0 BDAARM CCc1n[nH]cc1N1CCC(C(=O)[O-])CC1 ZINC000685948224 538890640 /nfs/dbraw/zinc/89/06/40/538890640.db2.gz BICAJXAWLJZUAC-UHFFFAOYSA-N -1 0 223.276 1.273 50 0 BDAARM CC(C)OCC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000232681553 357682161 /nfs/dbraw/zinc/68/21/61/357682161.db2.gz MVHMGTCTCDGIDK-GXSJLCMTSA-N -1 0 243.303 1.123 50 0 BDAARM C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000102741755 357908740 /nfs/dbraw/zinc/90/87/40/357908740.db2.gz ATVYTAIFDKXCIU-ZCFIWIBFSA-N -1 0 231.280 1.374 50 0 BDAARM O=C([O-])C(=O)c1ccc(Br)s1 ZINC000034300876 219818408 /nfs/dbraw/zinc/81/84/08/219818408.db2.gz YLMOPFHUYOWWOX-UHFFFAOYSA-N -1 0 235.058 1.778 50 0 BDAARM Nc1nc(=S)[n-]c(Nc2ccccc2)n1 ZINC000006896715 361099157 /nfs/dbraw/zinc/09/91/57/361099157.db2.gz SIBHMZYBULMCRB-UHFFFAOYSA-N -1 0 219.273 1.860 50 0 BDAARM Nc1nc(C(F)(F)F)ccc1CC(=O)[O-] ZINC000238624146 361167610 /nfs/dbraw/zinc/16/76/10/361167610.db2.gz HLKMJTZRQGRCFD-UHFFFAOYSA-N -1 0 220.150 1.310 50 0 BDAARM O=C([O-])c1c(-c2ncc[nH]2)noc1C(F)F ZINC000675057357 541463126 /nfs/dbraw/zinc/46/31/26/541463126.db2.gz CJBSOXUCUYGVEQ-UHFFFAOYSA-N -1 0 229.142 1.701 50 0 BDAARM Nc1cccc(C[C@H]2SC(=O)[N-]C2=O)c1 ZINC000001396291 367661388 /nfs/dbraw/zinc/66/13/88/367661388.db2.gz WFKLCAMMJLTHON-MRVPVSSYSA-N -1 0 222.269 1.163 50 0 BDAARM CC(C)N1C=C(C(=O)[O-])C(=O)C2=CCC=C[C@@H]21 ZINC000102243196 367961531 /nfs/dbraw/zinc/96/15/31/367961531.db2.gz MLYWEMXZEYVBLB-ONGXEEELSA-N -1 0 233.267 1.359 50 0 BDAARM Cc1cc2c(cc1Cl)S(=O)(=O)[N-]C=N2 ZINC000005345254 368369571 /nfs/dbraw/zinc/36/95/71/368369571.db2.gz RNOODYKHQSYXKZ-UHFFFAOYSA-N -1 0 230.676 1.600 50 0 BDAARM CC(C)(C)OC(=O)CC1(C(=O)[O-])CCC1 ZINC000199839638 368398509 /nfs/dbraw/zinc/39/85/09/368398509.db2.gz LKAMGPMWHNRJLC-UHFFFAOYSA-N -1 0 214.261 1.973 50 0 BDAARM Cc1[nH]c2ccc(C(=O)NCC(=O)[O-])cc2c1C ZINC000020548795 371296390 /nfs/dbraw/zinc/29/63/90/371296390.db2.gz NISHXPDFROBLGQ-UHFFFAOYSA-N -1 0 246.266 1.599 50 0 BDAARM O=C([O-])c1ccc(N=NC2CCOCC2)cc1 ZINC000070037266 374115013 /nfs/dbraw/zinc/11/50/13/374115013.db2.gz TUSDKBXNIAUIOK-UHFFFAOYSA-N -1 0 234.255 1.963 50 0 BDAARM O=C([O-])[C@H](NC(=O)c1ccco1)c1ccccc1 ZINC000011890494 182285057 /nfs/dbraw/zinc/28/50/57/182285057.db2.gz BAIPGCMVKIAUJL-LLVKDONJSA-N -1 0 245.234 1.835 50 0 BDAARM O=C(N[C@@H]1CCCc2ccccc21)c1cn[nH]n1 ZINC000048889175 182300001 /nfs/dbraw/zinc/30/00/01/182300001.db2.gz SAOQGIZMLRYCIS-LLVKDONJSA-N -1 0 242.282 1.612 50 0 BDAARM O=C([N-][C@@H]1N=CCS1)C(Cl)(Cl)Cl ZINC000025626366 182320276 /nfs/dbraw/zinc/32/02/76/182320276.db2.gz REKDXSLDLGQGSU-BYPYZUCNSA-N -1 0 247.534 1.574 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 ZINC000001767987 182339465 /nfs/dbraw/zinc/33/94/65/182339465.db2.gz ZNRUEEQIUVKKBL-QWRGUYRKSA-N -1 0 249.266 1.776 50 0 BDAARM O=C(N[C@H]1CCc2cc(F)ccc21)c1cn[nH]n1 ZINC000048926747 182340770 /nfs/dbraw/zinc/34/07/70/182340770.db2.gz BDJVYNYQDRKSMA-JTQLQIEISA-N -1 0 246.245 1.361 50 0 BDAARM O=C([O-])C1CCN(C(=O)C2CCCC2)CC1 ZINC000013167037 182429264 /nfs/dbraw/zinc/42/92/64/182429264.db2.gz GTMFMPSHKKRARN-UHFFFAOYSA-N -1 0 225.288 1.500 50 0 BDAARM O=C([O-])CN[C@@H](c1ccccc1)C(F)(F)F ZINC000068590260 182467581 /nfs/dbraw/zinc/46/75/81/182467581.db2.gz BSYFZKSBWDMHSB-VIFPVBQESA-N -1 0 233.189 1.964 50 0 BDAARM O=C([O-])COc1ccc2nccnc2c1 ZINC000000266934 182471123 /nfs/dbraw/zinc/47/11/23/182471123.db2.gz RGEKLKKRSPZDSM-UHFFFAOYSA-N -1 0 204.185 1.093 50 0 BDAARM O=C([O-])COc1ccc(Cl)cc1CO ZINC000000469963 182470166 /nfs/dbraw/zinc/47/01/66/182470166.db2.gz ZJRUTGDCLVIVRD-UHFFFAOYSA-N -1 0 216.620 1.296 50 0 in-vitro BDAARM O=C([O-])COc1ccc(NC(=O)C2CC2)cc1 ZINC000008188709 182470789 /nfs/dbraw/zinc/47/07/89/182470789.db2.gz ZKPUCGURGXVNDT-UHFFFAOYSA-N -1 0 235.239 1.499 50 0 BDAARM O=C([O-])CCn1cnc(Cl)c1Cl ZINC000040162910 182457651 /nfs/dbraw/zinc/45/76/51/182457651.db2.gz SWXRTOWAJZZOFC-UHFFFAOYSA-N -1 0 209.032 1.665 50 0 BDAARM O=C([O-])CN(CC1CC1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000097035488 182459735 /nfs/dbraw/zinc/45/97/35/182459735.db2.gz FMQVZMOEIVOXCK-QWRGUYRKSA-N -1 0 237.299 1.356 50 0 BDAARM O=C([O-])C[C@@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000063772470 182478022 /nfs/dbraw/zinc/47/80/22/182478022.db2.gz KCRLPVUNGCRWTF-ZETCQYMHSA-N -1 0 225.631 1.850 50 0 BDAARM O=C([O-])C[C@H](O)c1ccc(Cl)cc1 ZINC000034785707 182483355 /nfs/dbraw/zinc/48/33/55/182483355.db2.gz NRRQHJBZRHOVAO-QMMMGPOBSA-N -1 0 200.621 1.848 50 0 BDAARM O=C([O-])Cc1noc(-c2ccccc2)n1 ZINC000019682162 182496068 /nfs/dbraw/zinc/49/60/68/182496068.db2.gz TUQRITNUDJXTHT-UHFFFAOYSA-N -1 0 204.185 1.364 50 0 BDAARM O=C([O-])Cn1ccc2ccccc2c1=O ZINC000032301949 182497219 /nfs/dbraw/zinc/49/72/19/182497219.db2.gz SMAQTXRPPCAWTK-UHFFFAOYSA-N -1 0 203.197 1.086 50 0 BDAARM O=C([O-])Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000002549588 182499115 /nfs/dbraw/zinc/49/91/15/182499115.db2.gz WAWOVUXKYBKOBQ-UHFFFAOYSA-N -1 0 234.177 1.864 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ncccn1 ZINC000001001328 182508453 /nfs/dbraw/zinc/50/84/53/182508453.db2.gz GLFHVTXLZKMYMA-RKDXNWHRSA-N -1 0 247.254 1.082 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000021952678 182509626 /nfs/dbraw/zinc/50/96/26/182509626.db2.gz JYSSUXMJWSBYLQ-SECBINFHSA-N -1 0 234.255 1.018 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@H]1c1ccccn1 ZINC000066032869 182531181 /nfs/dbraw/zinc/53/11/81/182531181.db2.gz KVHUHEDENOYWPU-JOYOIKCWSA-N -1 0 246.266 1.218 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](c2cc(F)ccc2F)N1 ZINC000036576381 182544677 /nfs/dbraw/zinc/54/46/77/182544677.db2.gz MYTWAZGPELUBSV-BDAKNGLRSA-N -1 0 245.250 1.753 50 0 BDAARM O=C([O-])c1ccc(-c2nnc3ncccn32)cc1 ZINC000020267994 182564007 /nfs/dbraw/zinc/56/40/07/182564007.db2.gz AVOZPRBTNZHCSU-UHFFFAOYSA-N -1 0 240.222 1.490 50 0 BDAARM O=C([O-])c1cc2cc3c(cc2nn1)OCO3 ZINC000012505611 182559784 /nfs/dbraw/zinc/55/97/84/182559784.db2.gz FQKMAEWPSZEOIR-UHFFFAOYSA-N -1 0 218.168 1.057 50 0 BDAARM O=C([O-])c1cc2cccc3c2n(c1=O)CCC3 ZINC000000154343 182559965 /nfs/dbraw/zinc/55/99/65/182559965.db2.gz HMCFZIUMULQCRT-UHFFFAOYSA-N -1 0 229.235 1.646 50 0 biogenic BDAARM O=C([O-])c1cn(Cc2c(F)cccc2F)nn1 ZINC000022007120 182587530 /nfs/dbraw/zinc/58/75/30/182587530.db2.gz OPJHWTKDQYKYHL-UHFFFAOYSA-N -1 0 239.181 1.303 50 0 BDAARM O=S(=O)([O-])c1ccnc2ccccc21 ZINC000002580895 182903417 /nfs/dbraw/zinc/90/34/17/182903417.db2.gz UJRYDUDEJGXDNA-UHFFFAOYSA-N -1 0 209.226 1.482 50 0 BDAARM O=c1cn[n-]c(Nc2cccc(Cl)c2)n1 ZINC000008737860 183007346 /nfs/dbraw/zinc/00/73/46/183007346.db2.gz WOOWSDMIHQHIAO-UHFFFAOYSA-N -1 0 222.635 1.562 50 0 BDAARM CCCOc1cccn(C[C@H](C)C(=O)[O-])c1=O ZINC000083883293 169328357 /nfs/dbraw/zinc/32/83/57/169328357.db2.gz OLZRFBHAEXYPHK-VIFPVBQESA-N -1 0 239.271 1.358 50 0 BDAARM CCCS(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000011736412 169333788 /nfs/dbraw/zinc/33/37/88/169333788.db2.gz CTGSASQPVDRJOP-UHFFFAOYSA-N -1 0 243.284 1.537 50 0 BDAARM CC(C)(C)OC(=O)NCCSCC(=O)[O-] ZINC000094993276 166661268 /nfs/dbraw/zinc/66/12/68/166661268.db2.gz COHMMUWUSSAZPS-UHFFFAOYSA-N -1 0 235.305 1.329 50 0 BDAARM O=C([O-])/C=C/c1coc2ccccc2c1=O ZINC000000040518 383819130 /nfs/dbraw/zinc/81/91/30/383819130.db2.gz JTKDMUFCCJDYLT-AATRIKPKSA-N -1 0 216.192 1.891 50 0 biogenic BDAARM Cc1ccc(S(=O)(=O)CC(=O)[O-])cc1C ZINC000000262096 383846723 /nfs/dbraw/zinc/84/67/23/383846723.db2.gz WZXRJPKHARJNBD-UHFFFAOYSA-N -1 0 228.269 1.162 50 0 BDAARM Cc1ccc(S(=O)(=O)CCC(=O)[O-])cc1 ZINC000000274520 383851352 /nfs/dbraw/zinc/85/13/52/383851352.db2.gz HXZLEMZJRUFEKH-UHFFFAOYSA-N -1 0 228.269 1.243 50 0 BDAARM O=C([O-])Cc1nc(C(F)(F)F)cs1 ZINC000035739955 383872218 /nfs/dbraw/zinc/87/22/18/383872218.db2.gz YYJWDFSNNBFGNT-UHFFFAOYSA-N -1 0 211.164 1.789 50 0 BDAARM Cc1ccc(OC(=O)CCC(=O)[O-])cc1 ZINC000000143474 383833762 /nfs/dbraw/zinc/83/37/62/383833762.db2.gz ZOBHEEVLGNDUSV-UHFFFAOYSA-N -1 0 208.213 1.765 50 0 BDAARM O=C([O-])CNC(=O)Cc1cccc2ccccc21 ZINC000001667259 383918393 /nfs/dbraw/zinc/91/83/93/383918393.db2.gz BMZHJBUIQBHUPO-UHFFFAOYSA-N -1 0 243.262 1.583 50 0 BDAARM O=C([O-])/C=C/S(=O)(=O)c1ccccc1 ZINC000001492967 383902056 /nfs/dbraw/zinc/90/20/56/383902056.db2.gz BJFWNTBQQWFCIK-VOTSOKGWSA-N -1 0 212.226 1.059 50 0 BDAARM CCC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000261899 383989001 /nfs/dbraw/zinc/98/90/01/383989001.db2.gz ROTMDPBBCASFCW-SNVBAGLBSA-N -1 0 247.250 1.536 50 0 BDAARM O=C([O-])C[C@](O)(c1ccccc1)C(F)(F)F ZINC000003223719 384003042 /nfs/dbraw/zinc/00/30/42/384003042.db2.gz YWGWRGLPYNFJRQ-VIFPVBQESA-N -1 0 234.173 1.911 50 0 BDAARM O=C([O-])C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000003223720 384001073 /nfs/dbraw/zinc/00/10/73/384001073.db2.gz YWGWRGLPYNFJRQ-SECBINFHSA-N -1 0 234.173 1.911 50 0 BDAARM O=C([O-])/C=C/c1cnn(-c2ccccc2)n1 ZINC000004205354 384044276 /nfs/dbraw/zinc/04/42/76/384044276.db2.gz SWDBQUZCLPBXSD-VOTSOKGWSA-N -1 0 215.212 1.365 50 0 BDAARM O=C([O-])C[C@@H]1CC(=O)Oc2ccccc21 ZINC000003881818 384031361 /nfs/dbraw/zinc/03/13/61/384031361.db2.gz ZDPBLVCNDJAERM-SSDOTTSWSA-N -1 0 206.197 1.554 50 0 biogenic BDAARM O=Cc1ccc(Br)cc1C(=O)[O-] ZINC000004299110 384053100 /nfs/dbraw/zinc/05/31/00/384053100.db2.gz WAMUJTFUQTUCJQ-UHFFFAOYSA-N -1 0 229.029 1.960 50 0 BDAARM C[C@]1(C(=O)[O-])CC(c2ccc(F)cc2)=NO1 ZINC000004512120 384064054 /nfs/dbraw/zinc/06/40/54/384064054.db2.gz PAODOJYVEBJTBZ-LLVKDONJSA-N -1 0 223.203 1.793 50 0 BDAARM Cc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)o1 ZINC000004614241 384071878 /nfs/dbraw/zinc/07/18/78/384071878.db2.gz FKQBFGPLBKOCDT-POYBYMJQSA-N -1 0 213.258 1.376 50 0 BDAARM O=C([O-])C=CC(=O)Nc1ccc2[nH]cnc2c1 ZINC000004663926 384076316 /nfs/dbraw/zinc/07/63/16/384076316.db2.gz DTNLNFGJGALRCV-ARJAWSKDSA-N -1 0 231.211 1.142 50 0 BDAARM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[O-] ZINC000039094023 384102758 /nfs/dbraw/zinc/10/27/58/384102758.db2.gz VZHAMECIWIQGRU-BQBZGAKWSA-N -1 0 217.265 1.620 50 0 BDAARM Cc1ccc(C)c(S(=O)(=O)CCC(=O)[O-])c1 ZINC000004998647 384093408 /nfs/dbraw/zinc/09/34/08/384093408.db2.gz NFBMNBGCBPHLGE-UHFFFAOYSA-N -1 0 242.296 1.552 50 0 BDAARM O=C([O-])CCCS(=O)(=O)c1ccccc1 ZINC000004987766 384094889 /nfs/dbraw/zinc/09/48/89/384094889.db2.gz DBHMOMYHWIMTRS-UHFFFAOYSA-N -1 0 228.269 1.325 50 0 BDAARM C/C(=C\C(=O)N1CCCC[C@@H]1C(=O)[O-])C1CC1 ZINC000128589572 384124695 /nfs/dbraw/zinc/12/46/95/384124695.db2.gz LXLVBEBWXLVIPS-ANYFNZRUSA-N -1 0 237.299 1.808 50 0 BDAARM O=C([O-])c1ccc(OC(F)(F)F)cn1 ZINC000071261593 384156717 /nfs/dbraw/zinc/15/67/17/384156717.db2.gz GBEFAEXUUBIUIK-UHFFFAOYSA-N -1 0 207.107 1.678 50 0 BDAARM COC(=O)c1cc(-c2ccc(C)o2)[nH]n1 ZINC000006700557 384163169 /nfs/dbraw/zinc/16/31/69/384163169.db2.gz YCANOQNMLYMSHD-UHFFFAOYSA-N -1 0 206.201 1.765 50 0 BDAARM O=C([O-])COCc1nc(-c2ccccc2)no1 ZINC000041064729 384178071 /nfs/dbraw/zinc/17/80/71/384178071.db2.gz NKXUTGPWRBVUJC-UHFFFAOYSA-N -1 0 234.211 1.338 50 0 BDAARM Cc1c(=O)[nH]c2ccccc2c1C(=O)[O-] ZINC000008615601 384205728 /nfs/dbraw/zinc/20/57/28/384205728.db2.gz WPRPBCUZWXWVLY-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 biogenic BDAARM O=C([O-])Cc1cnn(-c2ccccc2)c1 ZINC000008728650 384212674 /nfs/dbraw/zinc/21/26/74/384212674.db2.gz DIVVPUUKTDJSFN-UHFFFAOYSA-N -1 0 202.213 1.499 50 0 BDAARM O=C([O-])/C=C/[C@@H]1COc2ccccc2C1 ZINC000009664678 384259917 /nfs/dbraw/zinc/25/99/17/384259917.db2.gz VRORSHSQJGUNNU-CYNONHLPSA-N -1 0 204.225 1.879 50 0 BDAARM C[C@@]1(c2ccccc2)CN(CC(=O)[O-])CCO1 ZINC000237533520 384276283 /nfs/dbraw/zinc/27/62/83/384276283.db2.gz BFDFNJBHYPFXRD-ZDUSSCGKSA-N -1 0 235.283 1.319 50 0 BDAARM Cc1noc(-c2ccccc2C(=O)[O-])n1 ZINC000012370393 384313700 /nfs/dbraw/zinc/31/37/00/384313700.db2.gz JHLHKCWPDVKWNS-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM O=C([O-])C1=NO[C@H](c2cccc(F)c2)C1 ZINC000012399095 384316035 /nfs/dbraw/zinc/31/60/35/384316035.db2.gz ZCNZQAKXRVSUJS-VIFPVBQESA-N -1 0 209.176 1.728 50 0 BDAARM CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000012382012 384316755 /nfs/dbraw/zinc/31/67/55/384316755.db2.gz IIJAEFRNONKHQP-SNVBAGLBSA-N -1 0 236.271 1.917 50 0 BDAARM CO[C@@](C)([C@H](C)N=c1nc(C)[n-]s1)C1CC1 ZINC000408521367 384286885 /nfs/dbraw/zinc/28/68/85/384286885.db2.gz QXCGNNDMKKDRHJ-CPCISQLKSA-N -1 0 241.360 1.884 50 0 BDAARM C[C@H](NC(=O)/C=C\C(=O)[O-])c1ccccc1 ZINC000100093471 384287722 /nfs/dbraw/zinc/28/77/22/384287722.db2.gz YBCNEBVTRKGSFM-FUOZMLNRSA-N -1 0 219.240 1.505 50 0 BDAARM CC(C)[C@H](NC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000011889834 384301236 /nfs/dbraw/zinc/30/12/36/384301236.db2.gz WGALSUVQPQPQQN-JTQLQIEISA-N -1 0 239.246 1.665 50 0 BDAARM Cc1[nH]nc(C(F)(F)Cl)c1C(=O)[O-] ZINC000075767011 384336547 /nfs/dbraw/zinc/33/65/47/384336547.db2.gz JKIBCUBDWMUBAN-UHFFFAOYSA-N -1 0 210.567 1.704 50 0 BDAARM O=C([O-])Cc1cc(Cl)cc2c1OCC2 ZINC000095348310 384371970 /nfs/dbraw/zinc/37/19/70/384371970.db2.gz DXUFAVXSLCWJIL-UHFFFAOYSA-N -1 0 212.632 1.902 50 0 BDAARM CCO[N-]C(=O)[C@H]1COc2ccccc2C1 ZINC000032848373 384401241 /nfs/dbraw/zinc/40/12/41/384401241.db2.gz JQYREULBMZYLJN-SNVBAGLBSA-N -1 0 221.256 1.305 50 0 BDAARM CS(=O)(=O)c1c[nH]c2ncnc(Cl)c12 ZINC000095630157 384384864 /nfs/dbraw/zinc/38/48/64/384384864.db2.gz NYNPBYKQGURQND-UHFFFAOYSA-N -1 0 231.664 1.015 50 0 BDAARM CCO[N-]C(=O)COc1ccccc1C ZINC000032903573 384438770 /nfs/dbraw/zinc/43/87/70/384438770.db2.gz GGGFFLXWNRWCIA-UHFFFAOYSA-N -1 0 209.245 1.442 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000079124125 384484397 /nfs/dbraw/zinc/48/43/97/384484397.db2.gz OBVACFNORHOAKT-ZETCQYMHSA-N -1 0 245.238 1.000 50 0 BDAARM O=C([O-])Cc1cc2c(cc1Cl)OCCO2 ZINC000019091264 384510370 /nfs/dbraw/zinc/51/03/70/384510370.db2.gz LGLSIVKEHGQKRR-UHFFFAOYSA-N -1 0 228.631 1.738 50 0 BDAARM Cc1ccccc1SCc1n[nH]c(=O)[n-]1 ZINC000085112070 384489156 /nfs/dbraw/zinc/48/91/56/384489156.db2.gz KPIJMLSWGAUJGM-UHFFFAOYSA-N -1 0 221.285 1.699 50 0 BDAARM O=C([O-])CC[C@H](O)c1ccc2c(c1)CCC(=O)N2 ZINC000020217911 384603003 /nfs/dbraw/zinc/60/30/03/384603003.db2.gz BZUPALUDUDLLQA-NSHDSACASA-N -1 0 249.266 1.470 50 0 BDAARM O=C([O-])CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2 ZINC000020217912 384603412 /nfs/dbraw/zinc/60/34/12/384603412.db2.gz BZUPALUDUDLLQA-LLVKDONJSA-N -1 0 249.266 1.470 50 0 BDAARM Cc1cc(C)cc(C(=O)NCCCC(=O)[O-])c1 ZINC000020285116 384610020 /nfs/dbraw/zinc/61/00/20/384610020.db2.gz SGYRUHFWKUSLIV-UHFFFAOYSA-N -1 0 235.283 1.898 50 0 BDAARM O=C(C=C([O-])c1ccccn1)C(F)(F)F ZINC000100316390 384633947 /nfs/dbraw/zinc/63/39/47/384633947.db2.gz NSRIWFKXEDHYRA-UHFFFAOYSA-N -1 0 217.146 1.786 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000050919608 384649446 /nfs/dbraw/zinc/64/94/46/384649446.db2.gz DMTFZGIGCORRAP-LLVKDONJSA-N -1 0 239.315 1.890 50 0 BDAARM Cc1cc(=O)cc(C)n1CCCC(=O)[O-] ZINC000082375451 384675771 /nfs/dbraw/zinc/67/57/71/384675771.db2.gz UOYSZORDYPABLU-UHFFFAOYSA-N -1 0 209.245 1.330 50 0 BDAARM CO[N-]C(=O)CNc1cc(Cl)ccc1OC ZINC000073626544 384655994 /nfs/dbraw/zinc/65/59/94/384655994.db2.gz YDUBDSJKGZERBQ-UHFFFAOYSA-N -1 0 244.678 1.438 50 0 BDAARM O=S(=O)([O-])c1ccc2c(c1)CCCO2 ZINC000082533939 384690137 /nfs/dbraw/zinc/69/01/37/384690137.db2.gz ZCDMGFHZKGALMR-UHFFFAOYSA-N -1 0 214.242 1.258 50 0 BDAARM CS(=O)(=O)C=C([O-])c1ccccc1F ZINC000052897660 384754489 /nfs/dbraw/zinc/75/44/89/384754489.db2.gz OZAXUXKXKMZWPB-UHFFFAOYSA-N -1 0 216.233 1.053 50 0 BDAARM O=C([O-])CCc1ccc(Br)cn1 ZINC000083326735 384758738 /nfs/dbraw/zinc/75/87/38/384758738.db2.gz PAKHMTGQRAQFBH-UHFFFAOYSA-N -1 0 230.061 1.861 50 0 BDAARM C[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000011888968 384767245 /nfs/dbraw/zinc/76/72/45/384767245.db2.gz QSCIZEKYPQCPDB-YFKPBYRVSA-N -1 0 229.182 1.168 50 0 BDAARM O=C([O-])CCc1ncnc2ccccc21 ZINC000082319120 384769105 /nfs/dbraw/zinc/76/91/05/384769105.db2.gz KYYLTOVCOZWUKT-UHFFFAOYSA-N -1 0 202.213 1.647 50 0 BDAARM Cc1nc(-n2cccc2)sc1C(=O)[O-] ZINC000026423462 384874411 /nfs/dbraw/zinc/87/44/11/384874411.db2.gz CSUNGMDSKKLZIC-UHFFFAOYSA-N -1 0 208.242 1.940 50 0 BDAARM CCN(CC)c1ccc(N)cc1C(=O)[O-] ZINC000054958165 384862095 /nfs/dbraw/zinc/86/20/95/384862095.db2.gz OFVPBQOQYKZWBO-UHFFFAOYSA-N -1 0 208.261 1.813 50 0 BDAARM O=C([O-])[C@H]1CSC(c2ccccc2O)=N1 ZINC000084428709 384865784 /nfs/dbraw/zinc/86/57/84/384865784.db2.gz CECDPVOEINSAQG-SSDOTTSWSA-N -1 0 223.253 1.339 50 0 in-vitro BDAARM Cc1nc(-c2ncccn2)sc1CC(=O)[O-] ZINC000071494401 384927743 /nfs/dbraw/zinc/92/77/43/384927743.db2.gz KCKWBWCUVKHVLW-UHFFFAOYSA-N -1 0 235.268 1.536 50 0 BDAARM O=C([O-])c1cnn2cccc(Br)c12 ZINC000085217560 384927735 /nfs/dbraw/zinc/92/77/35/384927735.db2.gz JFXAXKWHYUASCP-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM O=Cc1ccc(N2CC(C(=O)[O-])C2)cc1 ZINC000085210097 384927831 /nfs/dbraw/zinc/92/78/31/384927831.db2.gz JBVARJKZZNPSDV-UHFFFAOYSA-N -1 0 205.213 1.020 50 0 BDAARM COc1cc(Cl)c(O)c(C(=O)[O-])c1 ZINC000057339841 384937695 /nfs/dbraw/zinc/93/76/95/384937695.db2.gz ZTABOFPXDOTMLK-UHFFFAOYSA-N -1 0 202.593 1.752 50 0 BDAARM O=C([O-])COCc1cccc(Cl)c1 ZINC000057937786 384974399 /nfs/dbraw/zinc/97/43/99/384974399.db2.gz ZIFWYRKGNWMAIA-UHFFFAOYSA-N -1 0 200.621 1.941 50 0 BDAARM Cc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000062117749 385062536 /nfs/dbraw/zinc/06/25/36/385062536.db2.gz XLMSZHWVWYBBGF-LBPRGKRZSA-N -1 0 247.294 1.471 50 0 BDAARM Cc1nc(COC(C)(C)C)oc1C(=O)[O-] ZINC000165132262 385071952 /nfs/dbraw/zinc/07/19/52/385071952.db2.gz CAOSWUHZWWHTRP-UHFFFAOYSA-N -1 0 213.233 1.996 50 0 BDAARM CC(C)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000096402454 385078359 /nfs/dbraw/zinc/07/83/59/385078359.db2.gz PLIZBZOCXKOLJR-UHFFFAOYSA-N -1 0 235.283 1.756 50 0 BDAARM O=C([O-])CSc1nc(-c2cccnc2)no1 ZINC000061881244 385142169 /nfs/dbraw/zinc/14/21/69/385142169.db2.gz QRZFAZFERDAIDL-UHFFFAOYSA-N -1 0 237.240 1.308 50 0 BDAARM O=C([O-])CCCN1CCOc2cc(F)ccc21 ZINC000118533358 385157008 /nfs/dbraw/zinc/15/70/08/385157008.db2.gz KKUSZPDKGJGTFM-UHFFFAOYSA-N -1 0 239.246 1.889 50 0 BDAARM O=C([O-])CCc1nc(Cc2ccccc2)no1 ZINC000032627881 385175248 /nfs/dbraw/zinc/17/52/48/385175248.db2.gz IINWBGQLOLGBLM-UHFFFAOYSA-N -1 0 232.239 1.678 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)C=C(C1CC1)C1CC1 ZINC000269119594 385229402 /nfs/dbraw/zinc/22/94/02/385229402.db2.gz QWBPDPMUQICTBN-GFCCVEGCSA-N -1 0 249.310 1.808 50 0 BDAARM O=C([O-])[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000096516848 385253352 /nfs/dbraw/zinc/25/33/52/385253352.db2.gz VYEFIGNHQKUSDI-SNVBAGLBSA-N -1 0 247.298 1.655 50 0 BDAARM CNc1ccccc1-c1n[nH]c(=S)[n-]c1=O ZINC000013568072 385352619 /nfs/dbraw/zinc/35/26/19/385352619.db2.gz BPXAOECAZYRNQL-UHFFFAOYSA-N -1 0 234.284 1.575 50 0 BDAARM CCC[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000020249930 385452824 /nfs/dbraw/zinc/45/28/24/385452824.db2.gz HHNRWCVGXHEGNF-DTWKUNHWSA-N -1 0 215.293 1.648 50 0 BDAARM CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000156001604 385427302 /nfs/dbraw/zinc/42/73/02/385427302.db2.gz JOQRZQJSDFDNNR-GHMZBOCLSA-N -1 0 248.282 1.118 50 0 BDAARM C[C@H]1Nc2ccc(C(=O)[O-])cc2NC(=O)[C@@H]1C ZINC000157836566 385526457 /nfs/dbraw/zinc/52/64/57/385526457.db2.gz IOXGTTCBYJXFLD-RNFRBKRXSA-N -1 0 234.255 1.773 50 0 BDAARM CC(=O)[C@@H]1[C@@H](CC(=O)[O-])C(C)(C)OC1(C)C ZINC000214074683 385803575 /nfs/dbraw/zinc/80/35/75/385803575.db2.gz HBEVASDIEQDACS-PSASIEDQSA-N -1 0 228.288 1.870 50 0 BDAARM O=C([O-])CSc1nc2ccccc2[nH]c1=O ZINC000005819292 385808692 /nfs/dbraw/zinc/80/86/92/385808692.db2.gz KVRCBVVMRVOAMM-UHFFFAOYSA-N -1 0 236.252 1.100 50 0 BDAARM O=C([O-])CN1C(=O)c2ccc(Cl)cc2C1=O ZINC000003188576 385900287 /nfs/dbraw/zinc/90/02/87/385900287.db2.gz XEMGKIOYAKXENP-UHFFFAOYSA-N -1 0 239.614 1.021 50 0 BDAARM Cc1nscc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263503252 385934360 /nfs/dbraw/zinc/93/43/60/385934360.db2.gz ZLJQKVUPRRYCBH-QMMMGPOBSA-N -1 0 240.284 1.141 50 0 BDAARM Nc1ccc(C(F)(F)F)nc1CC(=O)[O-] ZINC000263624746 386158859 /nfs/dbraw/zinc/15/88/59/386158859.db2.gz TWDSBGHSUQKAQX-UHFFFAOYSA-N -1 0 220.150 1.310 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C1 ZINC000095989539 386563459 /nfs/dbraw/zinc/56/34/59/386563459.db2.gz CCHXZLYGIXMYLU-BREBYQMCSA-N -1 0 237.299 1.356 50 0 BDAARM COc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000002477320 386676037 /nfs/dbraw/zinc/67/60/37/386676037.db2.gz CUEGZHIACBNGTR-UHFFFAOYSA-N -1 0 224.241 1.707 50 0 BDAARM O=C([O-])CN(C(=O)/C=C\c1cccnc1)C1CC1 ZINC000210421007 386702129 /nfs/dbraw/zinc/70/21/29/386702129.db2.gz JCRFHZJCBFAQJZ-UTCJRWHESA-N -1 0 246.266 1.170 50 0 BDAARM CCO[N-]C(=O)c1cc2ccccc2oc1=O ZINC000012752550 386717144 /nfs/dbraw/zinc/71/71/44/386717144.db2.gz HJVXAQNSVVLEBU-UHFFFAOYSA-N -1 0 233.223 1.474 50 0 BDAARM Nn1c(=O)c2cc(Cl)ccc2[n-]c1=S ZINC000067172612 386718091 /nfs/dbraw/zinc/71/80/91/386718091.db2.gz LUHNGUZTQRWRRL-UHFFFAOYSA-N -1 0 227.676 1.052 50 0 BDAARM O=C([O-])Cc1cnnn1-c1ccc(F)cc1 ZINC000011888233 386998523 /nfs/dbraw/zinc/99/85/23/386998523.db2.gz HRZKKRRUVVLDLQ-UHFFFAOYSA-N -1 0 221.191 1.034 50 0 BDAARM O=C([O-])c1cnc2ccc3occc3c2c1O ZINC000071773401 387283963 /nfs/dbraw/zinc/28/39/63/387283963.db2.gz MYVUFFLCXCTDLB-UHFFFAOYSA-N -1 0 229.191 1.973 50 0 BDAARM Cc1cc(C)c(Nc2nncc(=O)[n-]2)c(C)c1 ZINC000002718774 387376122 /nfs/dbraw/zinc/37/61/22/387376122.db2.gz VNIKXCKHBGIHEZ-UHFFFAOYSA-N -1 0 230.271 1.834 50 0 BDAARM C/C=C(/C)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000097231264 387464956 /nfs/dbraw/zinc/46/49/56/387464956.db2.gz 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249.270 1.255 50 0 BDAARM Cn1c2ccccc2nc1[P@@](C)(=O)[O-] ZINC000195528743 388477302 /nfs/dbraw/zinc/47/73/02/388477302.db2.gz UKISUBKWDNOAHT-UHFFFAOYSA-N -1 0 210.173 1.099 50 0 BDAARM Cc1ccc(C(=O)NCCCCC(=O)[O-])cc1 ZINC000070197870 388434775 /nfs/dbraw/zinc/43/47/75/388434775.db2.gz AXYQWLZGESFIDJ-UHFFFAOYSA-N -1 0 235.283 1.980 50 0 BDAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1nccs1 ZINC000070734441 388439275 /nfs/dbraw/zinc/43/92/75/388439275.db2.gz RYKBDGSCTUCMRO-LURJTMIESA-N -1 0 240.284 1.185 50 0 BDAARM CCN(CC(=O)[O-])C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000095970039 388795640 /nfs/dbraw/zinc/79/56/40/388795640.db2.gz IZKPFXKNJGAXLS-VHSXEESVSA-N -1 0 227.304 1.746 50 0 BDAARM Cn1cc(/C=C\c2ncc(C(=O)[O-])s2)cn1 ZINC000096297178 388814460 /nfs/dbraw/zinc/81/44/60/388814460.db2.gz QKQOKOXQNTWAMX-IHWYPQMZSA-N -1 0 235.268 1.745 50 0 BDAARM O=C([O-])CN1CC(=O)Oc2ccc(Cl)cc21 ZINC000011731180 132320561 /nfs/dbraw/zinc/32/05/61/132320561.db2.gz SRDGDNUEKOXTSF-UHFFFAOYSA-N -1 0 241.630 1.150 50 0 BDAARM Cc1ccc2c(c1)N(CCC(=O)[O-])C(=O)CO2 ZINC000004475800 132316632 /nfs/dbraw/zinc/31/66/32/132316632.db2.gz XKSZUYSGUJVOGX-UHFFFAOYSA-N -1 0 235.239 1.195 50 0 BDAARM Cc1ccnc(N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000006746549 132318442 /nfs/dbraw/zinc/31/84/42/132318442.db2.gz OIDJUALRPNGDOJ-SECBINFHSA-N -1 0 221.260 1.086 50 0 BDAARM C[C@@H]1CN(c2ccnc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000009256635 132319402 /nfs/dbraw/zinc/31/94/02/132319402.db2.gz BZUPNXZUYRGSPT-RKDXNWHRSA-N -1 0 236.271 1.393 50 0 BDAARM C[C@@H]1CN(c2ccnc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000009256633 132319543 /nfs/dbraw/zinc/31/95/43/132319543.db2.gz BZUPNXZUYRGSPT-DTORHVGOSA-N -1 0 236.271 1.393 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1N1CCOCC1 ZINC000009260152 132319557 /nfs/dbraw/zinc/31/95/57/132319557.db2.gz WFJKSKWRBZDCKE-UHFFFAOYSA-N -1 0 221.256 1.530 50 0 BDAARM O=C([O-])c1cc(N2CCOCC2)ccc1Cl ZINC000013495694 132321864 /nfs/dbraw/zinc/32/18/64/132321864.db2.gz FISJSUZGOVGUPH-UHFFFAOYSA-N -1 0 241.674 1.875 50 0 BDAARM Cc1n[n-]c(N2CCCc3ccccc32)nc1=O ZINC000013693183 132322277 /nfs/dbraw/zinc/32/22/77/132322277.db2.gz ZRRPSNNRFGKXTE-UHFFFAOYSA-N -1 0 242.282 1.558 50 0 BDAARM O=C([O-])C1CCN(c2ccccn2)CC1 ZINC000015443885 132322948 /nfs/dbraw/zinc/32/29/48/132322948.db2.gz NUPQTEYBFNCZHX-UHFFFAOYSA-N -1 0 206.245 1.383 50 0 BDAARM O=C([O-])C1CCN(c2ccc(=S)[nH]n2)CC1 ZINC000020849629 132331735 /nfs/dbraw/zinc/33/17/35/132331735.db2.gz GBPFRUKAGXTMGX-UHFFFAOYSA-N -1 0 239.300 1.066 50 0 BDAARM O=C([O-])c1ccc(N2CCC(=O)CC2)cc1 ZINC000039320602 132346796 /nfs/dbraw/zinc/34/67/96/132346796.db2.gz NFWVNUAXCFDVFD-UHFFFAOYSA-N -1 0 219.240 1.554 50 0 BDAARM Cc1ccc2c(c1)O[C@@H](C)C(=O)N2CC(=O)[O-] ZINC000045796196 132354943 /nfs/dbraw/zinc/35/49/43/132354943.db2.gz WEJIZGLLPNLQKQ-QMMMGPOBSA-N -1 0 235.239 1.194 50 0 BDAARM CCO[C@@H]1C[C@H]1C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000408513332 134809140 /nfs/dbraw/zinc/80/91/40/134809140.db2.gz SFVZBMVTIRQVCM-KBVBSXBZSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)C[C@H]1C=CCC1)C1CC1 ZINC000262392652 135298762 /nfs/dbraw/zinc/29/87/62/135298762.db2.gz FZYHKWIWCAFDHF-ZJUUUORDSA-N -1 0 237.299 1.807 50 0 BDAARM C[C@@H](CN(C)C(=O)[C@]1(C)CC1(F)F)C(=O)[O-] ZINC000263189973 135338400 /nfs/dbraw/zinc/33/84/00/135338400.db2.gz LCPZARDCDPATOM-RCOVLWMOSA-N -1 0 235.230 1.211 50 0 BDAARM CCCN(CC)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263264959 135343383 /nfs/dbraw/zinc/34/33/83/135343383.db2.gz KPGRDKOCWRWCEX-UHFFFAOYSA-N -1 0 237.259 1.047 50 0 BDAARM CCCc1csc(NC(=O)[C@H](C)C(=O)[O-])n1 ZINC000263562798 135360097 /nfs/dbraw/zinc/36/00/97/135360097.db2.gz SWBIUROIOJKXLV-LURJTMIESA-N -1 0 242.300 1.755 50 0 BDAARM Cn1c2ccccc2cc(CCC(=O)[O-])c1=O ZINC000084034023 398067339 /nfs/dbraw/zinc/06/73/39/398067339.db2.gz AXCBPZLQJAOYBM-UHFFFAOYSA-N -1 0 231.251 1.556 50 0 BDAARM O=C([O-])CCCC(=O)Nc1ncccc1Cl ZINC000004611786 398054468 /nfs/dbraw/zinc/05/44/68/398054468.db2.gz HULMCBTXJBTQBT-UHFFFAOYSA-N -1 0 242.662 1.928 50 0 BDAARM CC(C)Nc1[nH]c(=O)nc2ccccc21 ZINC000064555074 167149849 /nfs/dbraw/zinc/14/98/49/167149849.db2.gz BFGDPIUNFRGUIZ-UHFFFAOYSA-N -1 0 203.245 1.743 50 0 BDAARM CC(C)Oc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000000435683 167290640 /nfs/dbraw/zinc/29/06/40/167290640.db2.gz YDKJMFDJOJQCSO-UHFFFAOYSA-N -1 0 237.255 1.288 50 0 BDAARM CC(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000034961623 167319477 /nfs/dbraw/zinc/31/94/77/167319477.db2.gz KKKNTSIWQQISLN-UHFFFAOYSA-N -1 0 246.259 1.706 50 0 BDAARM O=C([O-])Cc1cnc(-c2cccc(F)c2)[nH]c1=O ZINC000065336638 409992325 /nfs/dbraw/zinc/99/23/25/409992325.db2.gz WJWQUGVMBMNRQU-UHFFFAOYSA-N -1 0 248.213 1.203 50 0 BDAARM CC(=O)c1cccc(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000004454204 166478088 /nfs/dbraw/zinc/47/80/88/166478088.db2.gz GOSNLZBCTHGHON-UHFFFAOYSA-N -1 0 244.254 1.420 50 0 BDAARM CC(C)COC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000019815932 167020944 /nfs/dbraw/zinc/02/09/44/167020944.db2.gz OGBLPMCCEJATPY-VIFPVBQESA-N -1 0 229.276 1.576 50 0 BDAARM CC(C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000371338 167083635 /nfs/dbraw/zinc/08/36/35/167083635.db2.gz JCMHNFKSHATAGJ-DTWKUNHWSA-N -1 0 211.261 1.178 50 0 BDAARM CC(C)[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000003884338 167347145 /nfs/dbraw/zinc/34/71/45/167347145.db2.gz JULAETYRRYJIAR-NSHDSACASA-N -1 0 233.267 1.752 50 0 BDAARM CC(C)[C@@H](C)C(=O)NC1(C(=O)[O-])CCC1 ZINC000088048675 167350170 /nfs/dbraw/zinc/35/01/70/167350170.db2.gz LULVJWNQEIPTNB-MRVPVSSYSA-N -1 0 213.277 1.402 50 0 BDAARM CC1(C(=O)[O-])CCC2(CC1)OCCO2 ZINC000117379092 167875495 /nfs/dbraw/zinc/87/54/95/167875495.db2.gz REHMBWJXVOATBQ-UHFFFAOYSA-N -1 0 200.234 1.394 50 0 BDAARM COc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000113929239 411250034 /nfs/dbraw/zinc/25/00/34/411250034.db2.gz WFFLVKPVQNJBMT-UHFFFAOYSA-N -1 0 224.212 1.555 50 0 BDAARM CC1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000034926433 168175102 /nfs/dbraw/zinc/17/51/02/168175102.db2.gz LGBUOOLBRZNYSG-VHSXEESVSA-N -1 0 239.315 1.602 50 0 BDAARM CCOC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000019389955 170243726 /nfs/dbraw/zinc/24/37/26/170243726.db2.gz QVLGETWUPQPASH-UHFFFAOYSA-N -1 0 223.228 1.882 50 0 BDAARM CCOC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000003208739 170244238 /nfs/dbraw/zinc/24/42/38/170244238.db2.gz LRQYSIQVFJYQNK-UHFFFAOYSA-N -1 0 209.201 1.953 50 0 BDAARM CCOC(=O)C1=C([O-])c2ccccc2N(C)CC1 ZINC000000401341 170280633 /nfs/dbraw/zinc/28/06/33/170280633.db2.gz FVQGLBINDBXHNI-NSHDSACASA-N -1 0 247.294 1.889 50 0 BDAARM CCOC(=O)c1cc(=O)n(-c2ccccn2)[n-]1 ZINC000045929876 170293333 /nfs/dbraw/zinc/29/33/33/170293333.db2.gz DVABEHVXMNDOPF-UHFFFAOYSA-N -1 0 233.227 1.150 50 0 BDAARM CCOCCCNc1cc(C(=O)[O-])ccn1 ZINC000019845247 170383252 /nfs/dbraw/zinc/38/32/52/170383252.db2.gz OBEHQQCQRXKIAX-UHFFFAOYSA-N -1 0 224.260 1.618 50 0 BDAARM CCOCCCNc1ncccc1C(=O)[O-] ZINC000019845252 170384254 /nfs/dbraw/zinc/38/42/54/170384254.db2.gz QPRCTDCKBOVJPQ-UHFFFAOYSA-N -1 0 224.260 1.618 50 0 BDAARM O=S(=O)([N-]c1ccccn1)c1cccnc1 ZINC000005889726 411680046 /nfs/dbraw/zinc/68/00/46/411680046.db2.gz GELAYDIPMXSZBL-UHFFFAOYSA-N -1 0 235.268 1.277 50 0 BDAARM CC[C@@H](Oc1ccccc1OC)C(=O)[O-] ZINC000002581490 170947275 /nfs/dbraw/zinc/94/72/75/170947275.db2.gz LTKVQAXCKIXYLL-MRVPVSSYSA-N -1 0 210.229 1.937 50 0 BDAARM CC[C@@H]1CCc2[nH]c(=O)c(C(=O)[O-])cc2C1 ZINC000043404542 171060297 /nfs/dbraw/zinc/06/02/97/171060297.db2.gz TXWUFMDSIXFBPI-SSDOTTSWSA-N -1 0 221.256 1.588 50 0 BDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)no1 ZINC000097018192 171163687 /nfs/dbraw/zinc/16/36/87/171163687.db2.gz CJMNRKNCMMZIKI-NSHDSACASA-N -1 0 240.259 1.356 50 0 BDAARM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000019258943 171247922 /nfs/dbraw/zinc/24/79/22/171247922.db2.gz BGYPWZQLAHUGGX-IUCAKERBSA-N -1 0 213.277 1.356 50 0 BDAARM CC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000015997055 171330395 /nfs/dbraw/zinc/33/03/95/171330395.db2.gz AHZMCJBRKVTAMV-JGVFFNPUSA-N -1 0 216.281 1.193 50 0 BDAARM CC[C@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000019094260 171335477 /nfs/dbraw/zinc/33/54/77/171335477.db2.gz FYTSGHDTYDVNGZ-GUBZILKMSA-N -1 0 225.288 1.568 50 0 BDAARM CC[C@H](C)[C@H](NC(=O)/C=C(\C)C1CC1)C(=O)[O-] ZINC000270083778 171398204 /nfs/dbraw/zinc/39/82/04/171398204.db2.gz VSWHBPRBJSYMMN-QHCUEVAUSA-N -1 0 239.315 1.958 50 0 BDAARM CCc1noc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000012359811 172071951 /nfs/dbraw/zinc/07/19/51/172071951.db2.gz AXOPVHRULGUSFG-UHFFFAOYSA-N -1 0 218.212 1.997 50 0 BDAARM CCn1c2ccccc2nc1S(=O)(=O)[O-] ZINC000002361993 172146122 /nfs/dbraw/zinc/14/61/22/172146122.db2.gz CPFYRNMZRZTXRQ-UHFFFAOYSA-N -1 0 226.257 1.303 50 0 BDAARM COC(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000001384235 173867554 /nfs/dbraw/zinc/86/75/54/173867554.db2.gz PVHMYONDAPXJSB-QPJJXVBHSA-N -1 0 206.197 1.571 50 0 BDAARM COC(=O)c1cccc(CCC(=O)[O-])c1 ZINC000034116472 173894192 /nfs/dbraw/zinc/89/41/92/173894192.db2.gz OFPPVELHHQODQJ-UHFFFAOYSA-N -1 0 208.213 1.490 50 0 biogenic BDAARM COCCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000053730996 174123330 /nfs/dbraw/zinc/12/33/30/174123330.db2.gz CHMDQPDOUBUAOY-SNVBAGLBSA-N -1 0 243.303 1.126 50 0 BDAARM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000052783905 174393006 /nfs/dbraw/zinc/39/30/06/174393006.db2.gz ITXBKRHPHSTADP-SSDOTTSWSA-N -1 0 233.264 1.001 50 0 BDAARM COCc1ccc(NC(=O)/C(C)=C/C(=O)[O-])cc1 ZINC000013115539 174627726 /nfs/dbraw/zinc/62/77/26/174627726.db2.gz XOUUHBUTSPLKIH-VQHVLOKHSA-N -1 0 249.266 1.802 50 0 BDAARM CO[N-]C(=O)COc1cccc2ccccc21 ZINC000017821645 174663424 /nfs/dbraw/zinc/66/34/24/174663424.db2.gz OMRMWBRVJRSJAR-UHFFFAOYSA-N -1 0 231.251 1.896 50 0 BDAARM COc1ccc(C(=O)[O-])c(OC(F)F)c1 ZINC000042372632 175064188 /nfs/dbraw/zinc/06/41/88/175064188.db2.gz AXSNVRIMTHVVSI-UHFFFAOYSA-N -1 0 218.155 1.995 50 0 BDAARM COc1ccc(C(=O)[O-])cc1Cn1ccnc1C ZINC000024547999 175064863 /nfs/dbraw/zinc/06/48/63/175064863.db2.gz WNWFPAXZDVPPMN-UHFFFAOYSA-N -1 0 246.266 1.947 50 0 BDAARM COc1ccc(C)cc1N1C[C@H](C(=O)[O-])CC1=O ZINC000003445834 175076932 /nfs/dbraw/zinc/07/69/32/175076932.db2.gz PLQYUMDHVHCXAC-SECBINFHSA-N -1 0 249.266 1.441 50 0 BDAARM COc1ccc(CC(=O)[O-])c(Cl)c1 ZINC000003750733 175087670 /nfs/dbraw/zinc/08/76/70/175087670.db2.gz KINVBFAPQYQPTG-UHFFFAOYSA-N -1 0 200.621 1.976 50 0 BDAARM COc1ccc(Cl)cc1-n1nn[n-]c1=S ZINC000020587581 175119664 /nfs/dbraw/zinc/11/96/64/175119664.db2.gz ZUWGSNVMIYPHAN-UHFFFAOYSA-N -1 0 242.691 1.613 50 0 BDAARM COc1ccc2c(c1)nccc2C(=O)[O-] ZINC000026475386 175203391 /nfs/dbraw/zinc/20/33/91/175203391.db2.gz XBJMZHNQXKLXFW-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 BDAARM COc1ccc2c(c1)C(=O)O[C@@H]2CC(=O)[O-] ZINC000000307749 175206440 /nfs/dbraw/zinc/20/64/40/175206440.db2.gz ZPIAUPQATODINZ-SECBINFHSA-N -1 0 222.196 1.381 50 0 BDAARM COc1ccc2c(c1)C[C@H](C(=O)[O-])CO2 ZINC000003881967 175210993 /nfs/dbraw/zinc/21/09/93/175210993.db2.gz YFYLMFXPYODSEB-QMMMGPOBSA-N -1 0 208.213 1.331 50 0 biogenic BDAARM COc1ccc2c(c1)N(C)[C@@H](C(=O)[O-])C2 ZINC000064037969 175211820 /nfs/dbraw/zinc/21/18/20/175211820.db2.gz DKAWNVQXVWYVSR-SNVBAGLBSA-N -1 0 207.229 1.141 50 0 BDAARM COc1cccc(-n2nc(C(=O)[O-])cc2C)n1 ZINC000067491032 175239373 /nfs/dbraw/zinc/23/93/73/175239373.db2.gz SRZYJHUXBGDHSZ-UHFFFAOYSA-N -1 0 233.227 1.283 50 0 BDAARM COc1cccc(F)c1[C@@H]1OC(=O)[N-]C1=O ZINC000027869563 175274517 /nfs/dbraw/zinc/27/45/17/175274517.db2.gz UFKAYRNOYLAMAV-QMMMGPOBSA-N -1 0 225.175 1.142 50 0 BDAARM COc1ccccc1-n1ncc(C(=O)[O-])c1C ZINC000002532531 175312614 /nfs/dbraw/zinc/31/26/14/175312614.db2.gz CXZVLXYXEQMPBU-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)NC(C)(C)C ZINC000002833041 175643354 /nfs/dbraw/zinc/64/33/54/175643354.db2.gz ZAZKMKAXIQYBHH-SSDOTTSWSA-N -1 0 201.266 1.402 50 0 BDAARM C[C@@H](CC(=O)[O-])n1nnc2ccccc21 ZINC000000350037 175646654 /nfs/dbraw/zinc/64/66/54/175646654.db2.gz FEKISXNJRGSDHP-ZETCQYMHSA-N -1 0 205.217 1.467 50 0 BDAARM C[C@@H](Sc1ccccc1C(=O)[O-])C(N)=O ZINC000012976508 176009500 /nfs/dbraw/zinc/00/95/00/176009500.db2.gz INPZSIQXDTVYPY-ZCFIWIBFSA-N -1 0 225.269 1.351 50 0 BDAARM C[C@H]1Nc2ccc(C(=O)[O-])cc2NC(=O)[C@H]1C ZINC000157836721 176047613 /nfs/dbraw/zinc/04/76/13/176047613.db2.gz IOXGTTCBYJXFLD-NKWVEPMBSA-N -1 0 234.255 1.773 50 0 BDAARM C[C@@H]1CCC[C@H](OCC(=O)N(C)CC(=O)[O-])C1 ZINC000237421452 176146265 /nfs/dbraw/zinc/14/62/65/176146265.db2.gz HIPYYPQUEPAWOX-ZJUUUORDSA-N -1 0 243.303 1.125 50 0 BDAARM C[C@@H]1CC[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000040434400 176196770 /nfs/dbraw/zinc/19/67/70/176196770.db2.gz BSAYEGDCKUEPNE-SFYZADRCSA-N -1 0 229.276 1.859 50 0 BDAARM C[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1 ZINC000000377242 176360082 /nfs/dbraw/zinc/36/00/82/176360082.db2.gz RGGRSXDCXFADGM-XINAWCOVSA-N -1 0 249.192 1.889 50 0 BDAARM C[C@@H]1C[C@@H](NC(=O)/C=C/C(=O)[O-])CC(C)(C)C1 ZINC000004289054 176372524 /nfs/dbraw/zinc/37/25/24/176372524.db2.gz VJVRSOGEUWANMN-NUNSBDKSSA-N -1 0 239.315 1.958 50 0 BDAARM C[C@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000000114830 176818921 /nfs/dbraw/zinc/81/89/21/176818921.db2.gz SFHWUYGTNAGDHT-LURJTMIESA-N -1 0 227.647 1.543 50 0 BDAARM C[C@H]1CCC[C@H](C)N1C(=O)CCC(=O)[O-] ZINC000004298565 177130080 /nfs/dbraw/zinc/13/00/80/177130080.db2.gz ZTFWHVOFAVHCDK-IUCAKERBSA-N -1 0 213.277 1.641 50 0 BDAARM C[C@H]1Cc2cccc3c2n1c(=O)cc3[O-] ZINC000100905208 177389439 /nfs/dbraw/zinc/38/94/39/177389439.db2.gz BGJKGJXHKFCALG-ZETCQYMHSA-N -1 0 201.225 1.824 50 0 BDAARM CCn1nc(CCC(=O)[O-])c2ccccc2c1=O ZINC000000873882 262709590 /nfs/dbraw/zinc/70/95/90/262709590.db2.gz YPXWARXRBMZEJU-UHFFFAOYSA-N -1 0 246.266 1.434 50 0 BDAARM CC(C)[C@@H]1C=CCN1C(=O)CCCC(=O)[O-] ZINC000534575207 323153752 /nfs/dbraw/zinc/15/37/52/323153752.db2.gz DICVQTCGKLSLMN-JTQLQIEISA-N -1 0 225.288 1.664 50 0 BDAARM O=C([O-])c1cnc(-c2cccc3ccnn32)cn1 ZINC000534657592 323157907 /nfs/dbraw/zinc/15/79/07/323157907.db2.gz YHEAAFHUFAEAPC-UHFFFAOYSA-N -1 0 240.222 1.490 50 0 BDAARM O=C([O-])CNC(=O)C[C@@H]1CCc2ccccc21 ZINC000675947020 487795144 /nfs/dbraw/zinc/79/51/44/487795144.db2.gz DRSZPEIPKKGDJC-JTQLQIEISA-N -1 0 233.267 1.307 50 0 BDAARM CC(C)(C)c1nsc(NCC(=O)[O-])n1 ZINC000083650459 491162440 /nfs/dbraw/zinc/16/24/40/491162440.db2.gz FKSQGZTZDYDBJC-UHFFFAOYSA-N -1 0 215.278 1.332 50 0 BDAARM CN1C(=O)C[C@H](C(=O)[O-])c2ccccc21 ZINC000009953729 536316922 /nfs/dbraw/zinc/31/69/22/536316922.db2.gz BCKRBJBCJOYSLP-QMMMGPOBSA-N -1 0 205.213 1.221 50 0 BDAARM Cc1onc(-c2cnn(C)c2)c1C(=O)[O-] ZINC000069969332 537850425 /nfs/dbraw/zinc/85/04/25/537850425.db2.gz OUKHEVGRJVBDPP-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM Cc1ocnc1-c1cccc(C(=O)[O-])n1 ZINC000074206692 583974624 /nfs/dbraw/zinc/97/46/24/583974624.db2.gz LQXMBBBEQCGKBQ-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM CC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000133977532 591873819 /nfs/dbraw/zinc/87/38/19/591873819.db2.gz QHVGCJNRQYFZQM-MRVPVSSYSA-N -1 0 245.275 1.334 50 0 BDAARM COC(=O)[C@@H]1CC(C)=C[C@H](C)[C@H]1C(=O)[O-] ZINC000005030902 636078929 /nfs/dbraw/zinc/07/89/29/636078929.db2.gz CXSSUKMQLDUVRC-DJLDLDEBSA-N -1 0 212.245 1.463 50 0 BDAARM O=C([O-])CC1CCN(C(=O)C2CC2)CC1 ZINC000049455827 643074803 /nfs/dbraw/zinc/07/48/03/643074803.db2.gz IIHSUXCZAYDHNZ-UHFFFAOYSA-N -1 0 211.261 1.110 50 0 BDAARM COc1ccc(C(F)(F)C(=O)[O-])cn1 ZINC000393809486 711678842 /nfs/dbraw/zinc/67/88/42/711678842.db2.gz BNTCVKNJNASDTE-UHFFFAOYSA-N -1 0 203.144 1.267 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc(=S)[nH][nH]1 ZINC000005816947 983880381 /nfs/dbraw/zinc/88/03/81/983880381.db2.gz DYLXWYPNDHPRPQ-NTSWFWBYSA-N -1 0 227.289 1.826 50 0 in-vivo BDAARM CCC(CC)(CNC(=O)c1ccco1)C(=O)[O-] ZINC000097020650 168326117 /nfs/dbraw/zinc/32/61/17/168326117.db2.gz IQKITYZXUKSCPT-UHFFFAOYSA-N -1 0 239.271 1.900 50 0 BDAARM CC(=O)Oc1cc(C)c2sc(=O)nc-2[n-]1 ZINC000004708458 398166770 /nfs/dbraw/zinc/16/67/70/398166770.db2.gz FYUKCWAJGHJKBL-UHFFFAOYSA-N -1 0 224.241 1.218 50 0 BDAARM Cc1cc(F)ccc1-n1cc([O-])c(C(N)=O)n1 ZINC000081557211 178080557 /nfs/dbraw/zinc/08/05/57/178080557.db2.gz MSALIMOJXNMYDN-UHFFFAOYSA-N -1 0 235.218 1.124 50 0 BDAARM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ccccc1 ZINC000074203046 398201638 /nfs/dbraw/zinc/20/16/38/398201638.db2.gz NHNOUTFQKIQWLT-KOLCDFICSA-N -1 0 205.257 1.986 50 0 BDAARM Cc1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)on1 ZINC000071282201 178149342 /nfs/dbraw/zinc/14/93/42/178149342.db2.gz CRAKSNUNNNVEJS-HTQZYQBOSA-N -1 0 238.243 1.278 50 0 BDAARM O=C([O-])c1nnn(C2CC2)c1C(F)(F)F ZINC000074942059 398210894 /nfs/dbraw/zinc/21/08/94/398210894.db2.gz NDECZUSNAWDZJW-UHFFFAOYSA-N -1 0 221.138 1.330 50 0 BDAARM O=C([O-])CCCN1C(=O)C(=O)c2ccccc21 ZINC000006661578 398224548 /nfs/dbraw/zinc/22/45/48/398224548.db2.gz IXGQJZVJHWYMHV-UHFFFAOYSA-N -1 0 233.223 1.081 50 0 BDAARM Cc1cc(O)c2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000005547097 178196948 /nfs/dbraw/zinc/19/69/48/178196948.db2.gz RHUMIIZFEHDIKT-UHFFFAOYSA-N -1 0 248.234 1.743 50 0 biogenic BDAARM Cc1cc2n(n1)C(=O)C(C(C)C)C([O-])=N2 ZINC000071475115 178302195 /nfs/dbraw/zinc/30/21/95/178302195.db2.gz ATVXEACMGDYWJE-UHFFFAOYSA-N -1 0 207.233 1.572 50 0 BDAARM Cc1cc2c3c(c1)c(=O)c(C(=O)[O-])cn3CCC2 ZINC000035877081 178294619 /nfs/dbraw/zinc/29/46/19/178294619.db2.gz XNPKFSCSMWRSDJ-UHFFFAOYSA-N -1 0 243.262 1.954 50 0 BDAARM Cc1ccc(-n2cc(C(=O)[O-])nn2)c(F)c1 ZINC000020372615 178346558 /nfs/dbraw/zinc/34/65/58/178346558.db2.gz LZXLCCGTTYBZNR-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM Cc1ccc(-n2cnnc2SCC(=O)[O-])cc1 ZINC000009322544 178346763 /nfs/dbraw/zinc/34/67/63/178346763.db2.gz OPABJFZZJANABC-UHFFFAOYSA-N -1 0 249.295 1.752 50 0 BDAARM Cc1ccc(C(=O)N(C)CC(=O)[O-])cc1 ZINC000013822441 178376642 /nfs/dbraw/zinc/37/66/42/178376642.db2.gz WKEPQHRTXMIHLM-UHFFFAOYSA-N -1 0 207.229 1.152 50 0 BDAARM Cc1ccc2ncnc(NCC(=O)[O-])c2c1 ZINC000000122944 342675772 /nfs/dbraw/zinc/67/57/72/342675772.db2.gz VZHAMENNFWKQKY-UHFFFAOYSA-N -1 0 217.228 1.435 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000000139281 342676685 /nfs/dbraw/zinc/67/66/85/342676685.db2.gz PBIAEAYJEYOSMG-SSDOTTSWSA-N -1 0 239.658 1.778 50 0 BDAARM Cc1ccc2oc(=O)n(CCC(=O)[O-])c2c1 ZINC000000153916 342677455 /nfs/dbraw/zinc/67/74/55/342677455.db2.gz FTSJMZOSLSBKME-UHFFFAOYSA-N -1 0 221.212 1.378 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccco1 ZINC000000168403 342679018 /nfs/dbraw/zinc/67/90/18/342679018.db2.gz CKLUNBZKIOXZED-QWRGUYRKSA-N -1 0 249.266 1.563 50 0 BDAARM O=C([O-])[C@H]1CC(=O)n2c3ccccc3nc2S1 ZINC000000180605 342679369 /nfs/dbraw/zinc/67/93/69/342679369.db2.gz FEOQRAMWJJLXDP-MRVPVSSYSA-N -1 0 248.263 1.626 50 0 BDAARM Cc1csc(NC(=O)CCCC(=O)[O-])n1 ZINC000000283072 342682074 /nfs/dbraw/zinc/68/20/74/342682074.db2.gz FVPCIQWWRVJOJG-UHFFFAOYSA-N -1 0 228.273 1.645 50 0 BDAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000000367880 342685208 /nfs/dbraw/zinc/68/52/08/342685208.db2.gz HQDKLCORJIEXRD-JTQLQIEISA-N -1 0 235.239 1.502 50 0 BDAARM O=C([O-])c1ccc(-n2cccc2)cc1O ZINC000000409430 342687217 /nfs/dbraw/zinc/68/72/17/342687217.db2.gz QRYBHHIRDQQZFK-UHFFFAOYSA-N -1 0 203.197 1.881 50 0 BDAARM Cc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000038387 342670658 /nfs/dbraw/zinc/67/06/58/342670658.db2.gz OHHAQFFMXQEGMP-UHFFFAOYSA-N -1 0 207.229 1.798 50 0 biogenic,in-vitro BDAARM COc1cc(N)c(Cl)cc1C(=O)[O-] ZINC000000036685 342670726 /nfs/dbraw/zinc/67/07/26/342670726.db2.gz RVEATKYEARPWRE-UHFFFAOYSA-N -1 0 201.609 1.629 50 0 biogenic,in-vitro BDAARM O=C([O-])[C@@H](O)Cc1c[nH]c2ccccc12 ZINC000000039098 342670748 /nfs/dbraw/zinc/67/07/48/342670748.db2.gz XGILAAMKEQUXLS-JTQLQIEISA-N -1 0 205.213 1.156 50 0 endogenous,in-man BDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cccs2)C1 ZINC000000040090 342671052 /nfs/dbraw/zinc/67/10/52/342671052.db2.gz HNEDKCTVOYJYQI-ZETCQYMHSA-N -1 0 225.269 1.181 50 0 BDAARM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000000057568 342672057 /nfs/dbraw/zinc/67/20/57/342672057.db2.gz JQAOHGMPAAWWQO-QMMMGPOBSA-N -1 0 229.276 1.861 50 0 BDAARM Nc1ccc(N2CCCC2)c(C(=O)[O-])c1 ZINC000000073863 342672640 /nfs/dbraw/zinc/67/26/40/342672640.db2.gz TVZSCEWHFAKJOE-UHFFFAOYSA-N -1 0 206.245 1.567 50 0 BDAARM C[C@@H](CCC(=O)NC1CCCCC1)C(=O)[O-] ZINC000000618635 342690945 /nfs/dbraw/zinc/69/09/45/342690945.db2.gz ORHBRNGIQYZQRP-VIFPVBQESA-N -1 0 227.304 1.936 50 0 BDAARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)cc(C)c1O ZINC000000814632 342693283 /nfs/dbraw/zinc/69/32/83/342693283.db2.gz ZDHTWGYXBAWHRC-WEVVVXLNSA-N -1 0 232.239 1.189 50 0 BDAARM O=C([O-])[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000000819003 342693314 /nfs/dbraw/zinc/69/33/14/342693314.db2.gz PBZBMHSUDXPYCP-VIFPVBQESA-N -1 0 209.176 1.403 50 0 BDAARM CN(CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000001529077 342702507 /nfs/dbraw/zinc/70/25/07/342702507.db2.gz BBIFRGBXCKOUBW-UHFFFAOYSA-N -1 0 203.238 1.328 50 0 BDAARM Nc1cc(S(=O)(=O)[O-])cc2ccccc12 ZINC000001669726 342707738 /nfs/dbraw/zinc/70/77/38/342707738.db2.gz HXXMONHYPKNZHE-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 BDAARM Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000001683639 342709067 /nfs/dbraw/zinc/70/90/67/342709067.db2.gz KYARBIJYVGJZLB-UHFFFAOYSA-N -1 0 239.252 1.374 50 0 in-vitro BDAARM Nc1cc(C(F)(F)F)ccc1S(=O)(=O)[O-] ZINC000001728583 342711619 /nfs/dbraw/zinc/71/16/19/342711619.db2.gz LHIOGENQCVAALC-UHFFFAOYSA-N -1 0 241.190 1.534 50 0 BDAARM O=C([O-])[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000002025530 342714638 /nfs/dbraw/zinc/71/46/38/342714638.db2.gz GGQAKKRNFCXRFB-SSDOTTSWSA-N -1 0 242.099 1.500 50 0 BDAARM Nc1nc2ccc(S(=O)(=O)[O-])cc2s1 ZINC000002023382 342714744 /nfs/dbraw/zinc/71/47/44/342714744.db2.gz CKAGMVXJHAZUBL-UHFFFAOYSA-N -1 0 230.270 1.125 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccccc1F ZINC000004105089 342742634 /nfs/dbraw/zinc/74/26/34/342742634.db2.gz UUPDSGSJUTZAKM-BQBZGAKWSA-N -1 0 223.203 1.485 50 0 BDAARM CCCn1c2ccccc2n(CC(=O)[O-])c1=O ZINC000004219181 342744654 /nfs/dbraw/zinc/74/46/54/342744654.db2.gz VISFDJKXMSXFIR-UHFFFAOYSA-N -1 0 234.255 1.298 50 0 BDAARM O=C([O-])c1cccc(CN2CCOCC2)c1 ZINC000004253599 342745551 /nfs/dbraw/zinc/74/55/51/342745551.db2.gz LZLRLAYVCUNAEX-UHFFFAOYSA-N -1 0 221.256 1.217 50 0 BDAARM O=C([O-])c1c2nc[nH]c2ncc1Br ZINC000002456173 342720879 /nfs/dbraw/zinc/72/08/79/342720879.db2.gz FMUPBLXDBFTANV-UHFFFAOYSA-N -1 0 242.032 1.419 50 0 BDAARM Cc1c(-c2cc(C(=O)[O-])on2)cnn1C ZINC000002538061 342723436 /nfs/dbraw/zinc/72/34/36/342723436.db2.gz BTSNBPGQHKIMQJ-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM COc1cc(N)c(C(=O)[O-])cc1Cl ZINC000002551040 342723777 /nfs/dbraw/zinc/72/37/77/342723777.db2.gz VJLREPGGNOEDCE-UHFFFAOYSA-N -1 0 201.609 1.629 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000002558243 342723994 /nfs/dbraw/zinc/72/39/94/342723994.db2.gz WOUNTSATDZJBLP-JGVFFNPUSA-N -1 0 227.260 1.540 50 0 BDAARM Cc1c(N)c(C)c(S(=O)(=O)[O-])c(C)c1N ZINC000002584545 342725680 /nfs/dbraw/zinc/72/56/80/342725680.db2.gz PKKGGWLTUCMSSD-UHFFFAOYSA-N -1 0 230.289 1.023 50 0 BDAARM O=C1NC(=O)[C@@]2(CCCc3sccc32)N1 ZINC000002635391 342726315 /nfs/dbraw/zinc/72/63/15/342726315.db2.gz CWFRYKWJIHQOFY-JTQLQIEISA-N -1 0 222.269 1.119 50 0 BDAARM Cc1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000003677325 342736634 /nfs/dbraw/zinc/73/66/34/342736634.db2.gz MBHYBSDKDMRZAA-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 BDAARM O=C([O-])[C@H](O)c1c(O)ccc2ccccc21 ZINC000003884043 342738961 /nfs/dbraw/zinc/73/89/61/342738961.db2.gz KIJIBKVYISSOOB-LLVKDONJSA-N -1 0 218.208 1.663 50 0 BDAARM Cc1ccc(CNC(=O)C[C@H](C)CC(=O)[O-])o1 ZINC000004784804 342752149 /nfs/dbraw/zinc/75/21/49/342752149.db2.gz ZNKIGPITZKIXCO-QMMMGPOBSA-N -1 0 239.271 1.705 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000004826526 342752683 /nfs/dbraw/zinc/75/26/83/342752683.db2.gz PNJBBPYLWPPKSM-MRVPVSSYSA-N -1 0 223.228 1.216 50 0 BDAARM CCOc1ncc(Cl)cc1C(=O)[O-] ZINC000004988649 342755676 /nfs/dbraw/zinc/75/56/76/342755676.db2.gz DTIBPOFHVJBUSH-UHFFFAOYSA-N -1 0 201.609 1.832 50 0 BDAARM O=C([O-])c1noc(-c2ccc(F)cc2)n1 ZINC000005763687 342769786 /nfs/dbraw/zinc/76/97/86/342769786.db2.gz KWUXWIDZUGRNQK-UHFFFAOYSA-N -1 0 208.148 1.574 50 0 BDAARM Cc1ccc2[nH]c(S(=O)(=O)[O-])nc2c1 ZINC000006023309 342772601 /nfs/dbraw/zinc/77/26/01/342772601.db2.gz VYVPLRUXEMIVCN-UHFFFAOYSA-N -1 0 212.230 1.118 50 0 BDAARM Cc1onc(C(=O)[O-])c1Cn1cc(Cl)cn1 ZINC000006658333 342780590 /nfs/dbraw/zinc/78/05/90/342780590.db2.gz VTMZXGXVWTYXGP-UHFFFAOYSA-N -1 0 241.634 1.579 50 0 BDAARM Cc1ccc(C(=O)[O-])c(=O)n1-c1ccc(F)cc1 ZINC000049834975 178439592 /nfs/dbraw/zinc/43/95/92/178439592.db2.gz BTPCWSQBSXUYHV-UHFFFAOYSA-N -1 0 247.225 1.983 50 0 BDAARM Cc1cc(=O)c2cccc(C(=O)[O-])c2[nH]1 ZINC000009186818 342809281 /nfs/dbraw/zinc/80/92/81/342809281.db2.gz XLMDCSSVRUUIGW-UHFFFAOYSA-N -1 0 203.197 1.535 50 0 biogenic BDAARM C[C@@H](CN1C[C@H](C(=O)[O-])CC1=O)c1ccccc1 ZINC000008732554 342804115 /nfs/dbraw/zinc/80/41/15/342804115.db2.gz PLFKPSVQQAHHQS-CMPLNLGQSA-N -1 0 247.294 1.723 50 0 BDAARM Cc1nc(COc2ccccc2C(=O)[O-])no1 ZINC000009791051 342827649 /nfs/dbraw/zinc/82/76/49/342827649.db2.gz KASNVTNLGUQSDE-UHFFFAOYSA-N -1 0 234.211 1.655 50 0 BDAARM O=C([O-])c1cc(C2CC2)nc2c(Cl)cnn21 ZINC000012396494 342851238 /nfs/dbraw/zinc/85/12/38/342851238.db2.gz SKFIYQDQYNNIIY-UHFFFAOYSA-N -1 0 237.646 1.958 50 0 BDAARM COC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004350154 342854695 /nfs/dbraw/zinc/85/46/95/342854695.db2.gz VWOSZDXAKCVIJH-BDAKNGLRSA-N -1 0 212.245 1.607 50 0 BDAARM C[C@H](NC(=O)CCCC(=O)[O-])c1ccncc1 ZINC000032610954 342855466 /nfs/dbraw/zinc/85/54/66/342855466.db2.gz OYNQSANDEVXNBS-VIFPVBQESA-N -1 0 236.271 1.514 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccccc1C ZINC000011888121 342844139 /nfs/dbraw/zinc/84/41/39/342844139.db2.gz ZRWXSEGYQIRLAV-UHFFFAOYSA-N -1 0 231.255 1.836 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000011890790 342844217 /nfs/dbraw/zinc/84/42/17/342844217.db2.gz AAYIFEJNJRFLKJ-VIFPVBQESA-N -1 0 239.296 1.366 50 0 BDAARM O=C([O-])[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000011891173 342844261 /nfs/dbraw/zinc/84/42/61/342844261.db2.gz MDGRADDJNYXDFF-ZETCQYMHSA-N -1 0 241.193 1.402 50 0 BDAARM CSc1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000013118171 342863826 /nfs/dbraw/zinc/86/38/26/342863826.db2.gz CCMINVGEECVXJE-UHFFFAOYSA-N -1 0 222.273 1.041 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000013170346 342864892 /nfs/dbraw/zinc/86/48/92/342864892.db2.gz GAMZTUSRQTWDPN-JTQLQIEISA-N -1 0 225.288 1.500 50 0 BDAARM COc1ccc(CNC(=O)C2CC2)cc1C(=O)[O-] ZINC000013392823 342866608 /nfs/dbraw/zinc/86/66/08/342866608.db2.gz BODLHSFAVOCZDO-UHFFFAOYSA-N -1 0 249.266 1.420 50 0 BDAARM CCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O ZINC000013624362 342868810 /nfs/dbraw/zinc/86/88/10/342868810.db2.gz UIHHDMDYUYLVLQ-JTQLQIEISA-N -1 0 232.287 1.842 50 0 BDAARM CO[N-]C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000134758738 342883375 /nfs/dbraw/zinc/88/33/75/342883375.db2.gz VBAOBCXHSJFFON-UHFFFAOYSA-N -1 0 246.625 1.095 50 0 BDAARM CSc1nnc(-c2ccccc2N)c(=O)[n-]1 ZINC000015015423 342890622 /nfs/dbraw/zinc/89/06/22/342890622.db2.gz DZMXAKSUCUWJAU-UHFFFAOYSA-N -1 0 234.284 1.548 50 0 BDAARM O=C([O-])c1cnc(CN2CCCC2)s1 ZINC000019088251 342941393 /nfs/dbraw/zinc/94/13/93/342941393.db2.gz FZFGNEIOUNIPIF-UHFFFAOYSA-N -1 0 212.274 1.437 50 0 BDAARM CC(C)(NC(=O)c1cccs1)C(=O)[O-] ZINC000019094054 342941591 /nfs/dbraw/zinc/94/15/91/342941591.db2.gz CPMQRAFXMUYGDM-UHFFFAOYSA-N -1 0 213.258 1.341 50 0 BDAARM CCc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1 ZINC000012341588 346893210 /nfs/dbraw/zinc/89/32/10/346893210.db2.gz BIMOFWFUMGSUSW-JXMROGBWSA-N -1 0 216.240 1.429 50 0 BDAARM O=C([O-])[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000019686080 342953580 /nfs/dbraw/zinc/95/35/80/342953580.db2.gz KRPARCGMIZYMDT-LLVKDONJSA-N -1 0 239.246 1.111 50 0 BDAARM O=C([O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000020246498 342978389 /nfs/dbraw/zinc/97/83/89/342978389.db2.gz NPFCLZUEJSRFSP-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM O=C([O-])c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020284518 342980160 /nfs/dbraw/zinc/98/01/60/342980160.db2.gz OTIAZAMJOQYITN-UHFFFAOYSA-N -1 0 227.603 1.369 50 0 BDAARM O=C([O-])[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000020357891 342983573 /nfs/dbraw/zinc/98/35/73/342983573.db2.gz YJGOVCVVOBKAOW-QMMMGPOBSA-N -1 0 209.220 1.737 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000020357890 342983619 /nfs/dbraw/zinc/98/36/19/342983619.db2.gz YJGOVCVVOBKAOW-MRVPVSSYSA-N -1 0 209.220 1.737 50 0 BDAARM CN(CC(=O)[O-])C(=O)c1ccc(F)cc1F ZINC000022143925 343042413 /nfs/dbraw/zinc/04/24/13/343042413.db2.gz NFXYKDFPCGNLFU-UHFFFAOYSA-N -1 0 229.182 1.121 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccsc1 ZINC000021959238 343030595 /nfs/dbraw/zinc/03/05/95/343030595.db2.gz GBAMZRZITKSJEC-SECBINFHSA-N -1 0 239.296 1.827 50 0 BDAARM O=C([O-])[C@@H]1C(=O)NC[C@H]1c1ccc(Cl)cc1 ZINC000022782140 343073658 /nfs/dbraw/zinc/07/36/58/343073658.db2.gz UNTIWFGDNPKRDT-IUCAKERBSA-N -1 0 239.658 1.254 50 0 BDAARM S=c1[nH]c(N2CCOCC2)nc2ccccc21 ZINC000012981361 343068306 /nfs/dbraw/zinc/06/83/06/343068306.db2.gz XNQJGPMRUXAXNM-UHFFFAOYSA-N -1 0 247.323 1.755 50 0 BDAARM Cc1ccc2c(=O)n(CC(=O)[O-])cnc2c1C ZINC000042628390 362012990 /nfs/dbraw/zinc/01/29/90/362012990.db2.gz LEKQRBCNYMCTKZ-UHFFFAOYSA-N -1 0 232.239 1.098 50 0 BDAARM CCc1c(C)nc(SCC(=O)[O-])[nH]c1=O ZINC000026420826 343104909 /nfs/dbraw/zinc/10/49/09/343104909.db2.gz QWSHBMYGGACYGT-UHFFFAOYSA-N -1 0 228.273 1.230 50 0 BDAARM O=C1[N-]C(=O)[C@@]2(CCCc3ccccc32)O1 ZINC000029233950 343137186 /nfs/dbraw/zinc/13/71/86/343137186.db2.gz SOKLCOPCKATUMT-LBPRGKRZSA-N -1 0 217.224 1.485 50 0 BDAARM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(=O)[O-] ZINC000032874051 343243039 /nfs/dbraw/zinc/24/30/39/343243039.db2.gz VXIIZQXOIDYWBS-BWZBUEFSSA-N -1 0 227.260 1.469 50 0 BDAARM Cc1cc(N)n(-c2cccc(C(=O)[O-])c2)n1 ZINC000032919409 343244697 /nfs/dbraw/zinc/24/46/97/343244697.db2.gz WYIPQANVZXIEJJ-UHFFFAOYSA-N -1 0 217.228 1.461 50 0 BDAARM CC(=O)c1ccc(-n2nn[n-]c2=S)cc1 ZINC000034113863 343264666 /nfs/dbraw/zinc/26/46/66/343264666.db2.gz PPXPYMBLZCFXBJ-UHFFFAOYSA-N -1 0 220.257 1.154 50 0 BDAARM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000034434786 343271022 /nfs/dbraw/zinc/27/10/22/343271022.db2.gz LCUKHUMNWGIQJL-HTQZYQBOSA-N -1 0 245.275 1.143 50 0 BDAARM Cc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)s1 ZINC000036623618 343321337 /nfs/dbraw/zinc/32/13/37/343321337.db2.gz LOZJSRIYEKKEBN-SVRRBLITSA-N -1 0 229.326 1.845 50 0 BDAARM O=C([O-])c1ccccc1S(=O)(=O)C(F)F ZINC000036819350 343325250 /nfs/dbraw/zinc/32/52/50/343325250.db2.gz XLEBSMWWVRWRTM-UHFFFAOYSA-N -1 0 236.195 1.381 50 0 BDAARM O=S(=O)([N-]c1cn[nH]c1)c1ccccc1F ZINC000035732162 343302810 /nfs/dbraw/zinc/30/28/10/343302810.db2.gz KMIBJPIYOXRHFL-UHFFFAOYSA-N -1 0 241.247 1.350 50 0 BDAARM CC(C)[S@@](=O)c1ccc(C(=O)[O-])cc1 ZINC000037855758 343358228 /nfs/dbraw/zinc/35/82/28/343358228.db2.gz RKAJHDSVSASBOZ-AWEZNQCLSA-N -1 0 212.270 1.901 50 0 BDAARM CC(C)(C)OC(=O)N(CC(=O)[O-])C1CC1 ZINC000037473712 343346220 /nfs/dbraw/zinc/34/62/20/343346220.db2.gz VPTQREPNFSXDEM-UHFFFAOYSA-N -1 0 215.249 1.471 50 0 BDAARM O=C([O-])c1cc(N2CCCC2=O)ccc1F ZINC000037474021 343346310 /nfs/dbraw/zinc/34/63/10/343346310.db2.gz NKHUCLYOABFQOJ-UHFFFAOYSA-N -1 0 223.203 1.651 50 0 BDAARM Nc1cc(Br)cnc1C(=O)[O-] ZINC000044682121 343512092 /nfs/dbraw/zinc/51/20/92/343512092.db2.gz GXXIHPZAIYKHGG-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM CCn1cc(C(=O)[O-])c(C2CCOCC2)n1 ZINC000259334380 259366982 /nfs/dbraw/zinc/36/69/82/259366982.db2.gz OTFVWVBELYQKKG-UHFFFAOYSA-N -1 0 224.260 1.495 50 0 BDAARM CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1 ZINC000004689770 343963531 /nfs/dbraw/zinc/96/35/31/343963531.db2.gz KLGWYKGQZCFVOY-UHFFFAOYSA-N -1 0 227.304 1.890 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1C1CC1 ZINC000236678502 344401944 /nfs/dbraw/zinc/40/19/44/344401944.db2.gz RYHUPMCDMVULLF-QWRGUYRKSA-N -1 0 239.315 1.602 50 0 BDAARM CC(C)OC(=O)c1cccnc1C(=O)[O-] ZINC000072233329 344518715 /nfs/dbraw/zinc/51/87/15/344518715.db2.gz LBTZSZYCUZYPEN-UHFFFAOYSA-N -1 0 209.201 1.345 50 0 BDAARM Cc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000004104998 178675072 /nfs/dbraw/zinc/67/50/72/178675072.db2.gz LGGQJJIYOGSNMV-HTQZYQBOSA-N -1 0 237.230 1.793 50 0 BDAARM O=C([O-])c1ccc(Nc2ccccc2)nn1 ZINC000011850604 345033334 /nfs/dbraw/zinc/03/33/34/345033334.db2.gz QWIBTRHOBCJKBI-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM CCOc1ccc(Nc2cnnc(=O)[nH]2)cc1 ZINC000005183618 345816309 /nfs/dbraw/zinc/81/63/09/345816309.db2.gz SQJXRYMQHLVGFP-UHFFFAOYSA-N -1 0 232.243 1.307 50 0 BDAARM CCCCC[C@H](C)NC(=O)N[C@H](C)C(=O)[O-] ZINC000005272042 346172652 /nfs/dbraw/zinc/17/26/52/346172652.db2.gz XCTWDYHJXMMTCO-DTWKUNHWSA-N -1 0 230.308 1.728 50 0 BDAARM COc1c([S-])cnn(-c2cccc(C)c2)c1=O ZINC000136497737 346234344 /nfs/dbraw/zinc/23/43/44/346234344.db2.gz XOZRTWRWTWCHDA-UHFFFAOYSA-N -1 0 248.307 1.838 50 0 BDAARM Cc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000011891272 179008009 /nfs/dbraw/zinc/00/80/09/179008009.db2.gz VHZKZWLSVHAKOZ-LBPRGKRZSA-N -1 0 247.294 1.932 50 0 BDAARM Cc1cccc(CN2C(=O)CC[C@H]2C(=O)[O-])c1 ZINC000000395893 179072453 /nfs/dbraw/zinc/07/24/53/179072453.db2.gz HJBLZCOSFUVQTG-NSHDSACASA-N -1 0 233.267 1.571 50 0 BDAARM Nc1ccc2cc(O)cc(S(=O)(=O)[O-])c2c1 ZINC000003844817 346581160 /nfs/dbraw/zinc/58/11/60/346581160.db2.gz NWYPJANFHLUNFH-UHFFFAOYSA-N -1 0 239.252 1.374 50 0 BDAARM Cc1cccc(NC(=O)CCCC(=O)[O-])n1 ZINC000000231415 179125934 /nfs/dbraw/zinc/12/59/34/179125934.db2.gz WSUHCOTZICXWOY-UHFFFAOYSA-N -1 0 222.244 1.583 50 0 BDAARM Cc1cccc(NC(=O)CC(=O)[O-])c1C ZINC000009304535 179126828 /nfs/dbraw/zinc/12/68/28/179126828.db2.gz HGZCCNRSTVUMIA-UHFFFAOYSA-N -1 0 207.229 1.717 50 0 BDAARM Cc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000071405201 179138432 /nfs/dbraw/zinc/13/84/32/179138432.db2.gz KILAQXYMBWIHCP-ZJUUUORDSA-N -1 0 248.282 1.829 50 0 BDAARM Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000071405203 179138898 /nfs/dbraw/zinc/13/88/98/179138898.db2.gz KILAQXYMBWIHCP-NXEZZACHSA-N -1 0 248.282 1.829 50 0 BDAARM Cc1cccc(N[C@@H]2SC(=O)[N-]C2=O)c1 ZINC000003865891 179154796 /nfs/dbraw/zinc/15/47/96/179154796.db2.gz PUQNPNSSJGZZIS-SECBINFHSA-N -1 0 222.269 1.716 50 0 BDAARM Cc1cccc(Nc2nncc(=O)[n-]2)c1C ZINC000008914701 179160622 /nfs/dbraw/zinc/16/06/22/179160622.db2.gz BHUCSPZWDHPKPK-UHFFFAOYSA-N -1 0 216.244 1.938 50 0 BDAARM Cc1cccc(OCn2ccc(C(=O)[O-])n2)c1 ZINC000002535570 179172932 /nfs/dbraw/zinc/17/29/32/179172932.db2.gz RESMIWWHUGFINJ-UHFFFAOYSA-N -1 0 232.239 1.926 50 0 BDAARM Cc1ccccc1C1(C(=O)N(C)CC(=O)[O-])CC1 ZINC000136268701 179255814 /nfs/dbraw/zinc/25/58/14/179255814.db2.gz HQJGVYOWOLPMKL-UHFFFAOYSA-N -1 0 247.294 1.570 50 0 BDAARM Cc1ccccc1CCNc1nc(=O)c(C)n[n-]1 ZINC000005009560 179267541 /nfs/dbraw/zinc/26/75/41/179267541.db2.gz MCRLUQHAKUXLCX-UHFFFAOYSA-N -1 0 244.298 1.436 50 0 BDAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000195542089 179349608 /nfs/dbraw/zinc/34/96/08/179349608.db2.gz IZGSDCFQMCYZJP-WCQGTBRESA-N -1 0 247.294 1.688 50 0 BDAARM Cc1ccccc1[C@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000102665 179350739 /nfs/dbraw/zinc/35/07/39/179350739.db2.gz QZTWUCKRQBPLEB-ZJUUUORDSA-N -1 0 223.297 1.783 50 0 BDAARM Cc1cnc(C(=O)[O-])cc1Br ZINC000088189923 179577849 /nfs/dbraw/zinc/57/78/49/179577849.db2.gz QBHUWQKVSFENQT-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM Cc1nc(C(=O)[O-])nn1-c1ccccc1 ZINC000021948246 179892216 /nfs/dbraw/zinc/89/22/16/179892216.db2.gz XPBATPBRNKFEPI-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1nc(NC(C)C)sc1C(=O)[O-] ZINC000008024673 180016275 /nfs/dbraw/zinc/01/62/75/180016275.db2.gz HMEIPWPQQHTZSO-UHFFFAOYSA-N -1 0 200.263 1.970 50 0 BDAARM Cc1nc2cccc(C(=O)[O-])c2nc1C ZINC000006664398 180099370 /nfs/dbraw/zinc/09/93/70/180099370.db2.gz IULOBNZHHDITLL-UHFFFAOYSA-N -1 0 202.213 1.945 50 0 BDAARM Cc1nc2ccccc2c(C(=O)[O-])c1N ZINC000000160865 180102139 /nfs/dbraw/zinc/10/21/39/180102139.db2.gz UOHNIVJCDQGCCY-UHFFFAOYSA-N -1 0 202.213 1.824 50 0 BDAARM O=Cc1cc(-c2ccc(C(=O)[O-])o2)ncc1F ZINC000725261254 538086081 /nfs/dbraw/zinc/08/60/81/538086081.db2.gz ZPGWWVFNUWBWNE-UHFFFAOYSA-N -1 0 235.170 1.991 50 0 BDAARM Cc1nccn1Cc1cccc(C(=O)[O-])c1 ZINC000019442493 180268937 /nfs/dbraw/zinc/26/89/37/180268937.db2.gz QTIRBHOSDDRFBE-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM Cc1nn(-c2cccc(C(=O)[O-])c2)c(C)c1N ZINC000019094079 180328562 /nfs/dbraw/zinc/32/85/62/180328562.db2.gz PJFLKWSUDICIDO-UHFFFAOYSA-N -1 0 231.255 1.770 50 0 BDAARM Cc1nn(C)c(C(F)(F)Cl)c1C(=O)[O-] ZINC000074942715 180333250 /nfs/dbraw/zinc/33/32/50/180333250.db2.gz GGPGOZUVJYLLKG-UHFFFAOYSA-N -1 0 224.594 1.715 50 0 BDAARM Cc1nnc(-c2ccccc2C(=O)[O-])o1 ZINC000026442699 180395753 /nfs/dbraw/zinc/39/57/53/180395753.db2.gz KBQBJFWYPQURSO-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM Cc1nn(CC(F)(F)F)cc1C(=O)[O-] ZINC000015809716 180385994 /nfs/dbraw/zinc/38/59/94/180385994.db2.gz CHTJYARIOYPNAG-UHFFFAOYSA-N -1 0 208.139 1.452 50 0 BDAARM Cc1nnc(-c2cc(Cl)ccc2N)[n-]c1=O ZINC000075093420 180395262 /nfs/dbraw/zinc/39/52/62/180395262.db2.gz ZHLUCMUVCZDTIF-UHFFFAOYSA-N -1 0 236.662 1.788 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ncccn1 ZINC000001001330 350977115 /nfs/dbraw/zinc/97/71/15/350977115.db2.gz GLFHVTXLZKMYMA-BDAKNGLRSA-N -1 0 247.254 1.082 50 0 BDAARM O=C([O-])CCSc1ccnc(C2CC2)n1 ZINC000577614580 366018367 /nfs/dbraw/zinc/01/83/67/366018367.db2.gz IPAHPOZVLRINHJ-UHFFFAOYSA-N -1 0 224.285 1.921 50 0 BDAARM CC(=O)Nc1ccc(NCC(=O)[O-])cc1 ZINC000001672951 187583608 /nfs/dbraw/zinc/58/36/08/187583608.db2.gz XOLVDWAUHOXWJA-UHFFFAOYSA-N -1 0 208.217 1.142 50 0 BDAARM Cn1cnnc1SCc1ccc(C(=O)[O-])cc1 ZINC000000133742 180798190 /nfs/dbraw/zinc/79/81/90/180798190.db2.gz CAYDHVWSEGPOJR-UHFFFAOYSA-N -1 0 249.295 1.806 50 0 BDAARM COc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000053883 188272429 /nfs/dbraw/zinc/27/24/29/188272429.db2.gz CCFLBHDPAUAJMZ-VOTSOKGWSA-N -1 0 221.212 1.275 50 0 biogenic BDAARM S=c1[n-]nc(Cn2cnc3ccccc32)o1 ZINC000000411890 188273628 /nfs/dbraw/zinc/27/36/28/188273628.db2.gz XVFMCINOUYEXJL-UHFFFAOYSA-N -1 0 232.268 1.756 50 0 BDAARM CC(C)CO[C@@H]1C(=O)CCC[C@H]1CC(=O)[O-] ZINC000004839464 188276589 /nfs/dbraw/zinc/27/65/89/188276589.db2.gz ZGLOOFZDWDJHCH-CABZTGNLSA-N -1 0 228.288 1.872 50 0 BDAARM CC(=O)c1c(C)nn(C[C@H](C)C(=O)[O-])c1C ZINC000004502555 188276653 /nfs/dbraw/zinc/27/66/53/188276653.db2.gz SAMRRADEFYZVRK-LURJTMIESA-N -1 0 224.260 1.423 50 0 BDAARM CC(C)(C)OC(=O)N1CCCO[C@H](C(=O)[O-])C1 ZINC000042684288 188294574 /nfs/dbraw/zinc/29/45/74/188294574.db2.gz YGITYLFOIAYYJU-QMMMGPOBSA-N -1 0 245.275 1.097 50 0 BDAARM CC(C)=CC(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643854 188296479 /nfs/dbraw/zinc/29/64/79/188296479.db2.gz XNTAVMUSNYJZFR-UHFFFAOYSA-N -1 0 227.304 1.958 50 0 BDAARM CC1(C)[C@H](C(=O)NCc2cccnc2)[C@@H]1C(=O)[O-] ZINC000061721228 188302450 /nfs/dbraw/zinc/30/24/50/188302450.db2.gz WKUDJIBRRJAJEL-VHSXEESVSA-N -1 0 248.282 1.055 50 0 BDAARM CCCn1ccnc1CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000217570870 188355922 /nfs/dbraw/zinc/35/59/22/188355922.db2.gz NRZXBGXGJQAZGF-IAZYJMLFSA-N -1 0 249.314 1.056 50 0 BDAARM Cc1ccc(NC(=O)[C@H](C)C(=O)[O-])cn1 ZINC000165632189 353415515 /nfs/dbraw/zinc/41/55/15/353415515.db2.gz BAPVFCISZDLCPL-ZETCQYMHSA-N -1 0 208.217 1.049 50 0 BDAARM N=C1NC(=O)/C(=C\c2cccc(C(=O)[O-])c2)S1 ZINC000004819957 181206580 /nfs/dbraw/zinc/20/65/80/181206580.db2.gz JEEBUAIWWDWFPU-VMPITWQZSA-N -1 0 248.263 1.523 50 0 BDAARM CC(=O)N(C)CCc1nc(C)c(C(=O)[O-])s1 ZINC000252507656 363454438 /nfs/dbraw/zinc/45/44/38/363454438.db2.gz WQRHACNYXBDQRG-UHFFFAOYSA-N -1 0 242.300 1.171 50 0 BDAARM CC(C)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000019513985 356484189 /nfs/dbraw/zinc/48/41/89/356484189.db2.gz XKKXOAYXQMCMNJ-UHFFFAOYSA-N -1 0 213.277 1.546 50 0 BDAARM CCn1nccc1-c1cnc(C(=O)[O-])nc1 ZINC000675070105 538499827 /nfs/dbraw/zinc/49/98/27/538499827.db2.gz PMKHEMYAEPQBSA-UHFFFAOYSA-N -1 0 218.216 1.058 50 0 BDAARM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CC(=O)[O-] ZINC000237536604 357197432 /nfs/dbraw/zinc/19/74/32/357197432.db2.gz BPZCEEJRYFYWHQ-GYSYKLTISA-N -1 0 249.310 1.922 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)C1CC(C)C1)C1CC1 ZINC000393796589 357300592 /nfs/dbraw/zinc/30/05/92/357300592.db2.gz KKWBPZFMIVDXPU-QJAFJHJLSA-N -1 0 225.288 1.497 50 0 BDAARM CC(C)n1c(=O)[nH]c2ccc(C(=O)[O-])cc21 ZINC000169050382 134249691 /nfs/dbraw/zinc/24/96/91/134249691.db2.gz ASRBUXIQHDAEIL-UHFFFAOYSA-N -1 0 220.228 1.609 50 0 BDAARM CC(C)(C)C(=O)NC(C(=O)[O-])=C(Cl)Cl ZINC000003164820 166528144 /nfs/dbraw/zinc/52/81/44/166528144.db2.gz FXKCSMHCDGNMEC-UHFFFAOYSA-N -1 0 240.086 1.880 50 0 BDAARM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CC(=O)[O-] ZINC000225450109 370669228 /nfs/dbraw/zinc/66/92/28/370669228.db2.gz BPZCEEJRYFYWHQ-SUNKGSAMSA-N -1 0 249.310 1.922 50 0 BDAARM O=C([O-])Cc1cc(C(F)(F)F)c[nH]c1=O ZINC000238679763 361176308 /nfs/dbraw/zinc/17/63/08/361176308.db2.gz MBJJYXYSNMEHNY-UHFFFAOYSA-N -1 0 221.134 1.433 50 0 BDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CC[C@H]2C)c1 ZINC000426494685 200991123 /nfs/dbraw/zinc/99/11/23/200991123.db2.gz 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1.861 50 0 BDAARM Nc1ccc(C(F)(F)F)nc1C(=O)[O-] ZINC000095761018 384393172 /nfs/dbraw/zinc/39/31/72/384393172.db2.gz JCWQZRKHKSPYSI-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM CC(C)(C)OC(=O)N1CSCC[C@@H]1C(=O)[O-] ZINC000095836235 384403185 /nfs/dbraw/zinc/40/31/85/384403185.db2.gz BXVMDHQHMAEZRG-SSDOTTSWSA-N -1 0 247.316 1.771 50 0 BDAARM COC(=O)c1cccc2c(C(=O)[O-])n[nH]c21 ZINC000014985023 384413254 /nfs/dbraw/zinc/41/32/54/384413254.db2.gz OXAGXNBNFPFDPF-UHFFFAOYSA-N -1 0 220.184 1.048 50 0 BDAARM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)C)on1 ZINC000059881986 384379273 /nfs/dbraw/zinc/37/92/73/384379273.db2.gz QSKFIVZTIOYVMI-UHFFFAOYSA-N -1 0 240.259 1.166 50 0 BDAARM C[C@@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000015444682 384431165 /nfs/dbraw/zinc/43/11/65/384431165.db2.gz MXKSXPYZNXUHEZ-HTQZYQBOSA-N -1 0 229.276 1.717 50 0 BDAARM Cn1nc(C(C)(C)C)c2cc(C(=O)[O-])cnc21 ZINC000047843870 384468746 /nfs/dbraw/zinc/46/87/46/384468746.db2.gz GQDZSSODSXPNQY-UHFFFAOYSA-N -1 0 233.271 1.964 50 0 BDAARM Cc1n[n-]c(Nc2cccc(Cl)c2)nc1=O ZINC000016776950 384469528 /nfs/dbraw/zinc/46/95/28/384469528.db2.gz PEOAWMHKZMKUPW-UHFFFAOYSA-N -1 0 236.662 1.870 50 0 BDAARM CC(C)(C)OC(=O)N1CC(C)(C(=O)[O-])C1 ZINC000079016925 384478892 /nfs/dbraw/zinc/47/88/92/384478892.db2.gz FNWBDXQPGAIDQH-UHFFFAOYSA-N -1 0 215.249 1.328 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccccn1 ZINC000238076684 384482685 /nfs/dbraw/zinc/48/26/85/384482685.db2.gz RLAWBKSLEZFRGO-XUIVZRPNSA-N -1 0 246.266 1.170 50 0 BDAARM Cc1ccc(C(=O)[O-])cc1N1CCNC1=O ZINC000019093529 384509971 /nfs/dbraw/zinc/50/99/71/384509971.db2.gz IIIUPHBWZXOBMI-UHFFFAOYSA-N -1 0 220.228 1.223 50 0 BDAARM Cc1oncc1NC(=O)c1ccncc1F ZINC000097032036 384529141 /nfs/dbraw/zinc/52/91/41/384529141.db2.gz UHKLSUBGAQBYGB-UHFFFAOYSA-N -1 0 221.191 1.769 50 0 BDAARM Cc1c(C(=O)[O-])sc2nc(C)cc(=O)n12 ZINC000049786148 384565738 /nfs/dbraw/zinc/56/57/38/384565738.db2.gz SHSBIIPACOFFOX-UHFFFAOYSA-N -1 0 224.241 1.071 50 0 BDAARM O=C([O-])c1nnn2c1CO[C@H](c1ccccc1)C2 ZINC000098211123 384603840 /nfs/dbraw/zinc/60/38/40/384603840.db2.gz BVUBLUDRHKHQPN-JTQLQIEISA-N -1 0 245.238 1.248 50 0 BDAARM CC1(C)Cc2ccc(C(=O)[O-])c(O)c2O1 ZINC000020593693 384624146 /nfs/dbraw/zinc/62/41/46/384624146.db2.gz MJCBKUXTTVIVOM-UHFFFAOYSA-N -1 0 208.213 1.804 50 0 BDAARM O=C([O-])C1(O)CCC(C(F)(F)F)CC1 ZINC000082862677 384723709 /nfs/dbraw/zinc/72/37/09/384723709.db2.gz ADXZMNUYOZBCHQ-UHFFFAOYSA-N -1 0 212.167 1.555 50 0 BDAARM CC(C)(C(=O)[O-])[C@H](O)c1ccc(O)cc1 ZINC000052267537 384724982 /nfs/dbraw/zinc/72/49/82/384724982.db2.gz FCRPIDBTONMRNW-SECBINFHSA-N -1 0 210.229 1.536 50 0 BDAARM Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)[O-] ZINC000082687463 384703723 /nfs/dbraw/zinc/70/37/23/384703723.db2.gz PRBUBVPDXFFYAG-UHFFFAOYSA-N -1 0 221.256 1.573 50 0 BDAARM Cn1nc(-c2ccccn2)cc1C(=O)[O-] ZINC000077606194 384707574 /nfs/dbraw/zinc/70/75/74/384707574.db2.gz PQSQNZNTVNGSAE-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM O=C([O-])CCn1sc2ccccc2c1=O ZINC000022123948 384735159 /nfs/dbraw/zinc/73/51/59/384735159.db2.gz SXQUSVVYDTZILU-UHFFFAOYSA-N -1 0 223.253 1.538 50 0 BDAARM C[C@H](C(=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000083070190 384739959 /nfs/dbraw/zinc/73/99/59/384739959.db2.gz XKKBEUZFWAVZFQ-ZETCQYMHSA-N -1 0 229.276 1.574 50 0 BDAARM O=C([O-])Cn1ccc(=O)c2cccc(Cl)c21 ZINC000026507926 384877644 /nfs/dbraw/zinc/87/76/44/384877644.db2.gz RFTWUNZCBKLDNE-UHFFFAOYSA-N -1 0 237.642 1.740 50 0 BDAARM O=C([O-])c1nc(F)ccc1Br ZINC000085224204 384927942 /nfs/dbraw/zinc/92/79/42/384927942.db2.gz GXFWACXUJKTGJF-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2nccs2)C1 ZINC000225528318 385077895 /nfs/dbraw/zinc/07/78/95/385077895.db2.gz NNIRDXDNHWLQLV-RQJHMYQMSA-N -1 0 240.284 1.583 50 0 BDAARM O=C([O-])C[C@](O)(c1ccccc1)C1CC1 ZINC000032010618 385119462 /nfs/dbraw/zinc/11/94/62/385119462.db2.gz UZPRCDDDTTZRRE-LBPRGKRZSA-N -1 0 206.241 1.759 50 0 BDAARM CO[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000072233323 385130722 /nfs/dbraw/zinc/13/07/22/385130722.db2.gz ASZDCIJXCHXGGY-SNVBAGLBSA-N -1 0 208.213 1.394 50 0 BDAARM C[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000019275721 385184025 /nfs/dbraw/zinc/18/40/25/385184025.db2.gz GFZHGPMEZGEZMS-YFKPBYRVSA-N -1 0 245.637 1.682 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)CC(C)C ZINC000096480262 385218999 /nfs/dbraw/zinc/21/89/99/385218999.db2.gz UYYADWLQCNRLKF-LLVKDONJSA-N -1 0 215.293 1.792 50 0 BDAARM O=C([O-])c1nc2ccccc2c(NCCCO)n1 ZINC000005010800 385454589 /nfs/dbraw/zinc/45/45/89/385454589.db2.gz WNIMXCKOAVQTHU-UHFFFAOYSA-N -1 0 247.254 1.122 50 0 BDAARM O=C([O-])c1cnc(Cl)nc1NC1CC1 ZINC000200608045 385578302 /nfs/dbraw/zinc/57/83/02/385578302.db2.gz NWGFQXFVANZYHK-UHFFFAOYSA-N -1 0 213.624 1.403 50 0 BDAARM CCONC(=O)c1ccc(OC)cc1O ZINC000042003630 385726921 /nfs/dbraw/zinc/72/69/21/385726921.db2.gz GWGONLSMZCHZBB-UHFFFAOYSA-N -1 0 211.217 1.082 50 0 BDAARM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)[O-] ZINC000216635972 385869721 /nfs/dbraw/zinc/86/97/21/385869721.db2.gz CZHREJZYTWIJKW-ZETCQYMHSA-N -1 0 229.276 1.717 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc(F)c(F)c1 ZINC000000395804 386782145 /nfs/dbraw/zinc/78/21/45/386782145.db2.gz MJCZEAWBXJPFAJ-UHFFFAOYSA-N -1 0 229.182 1.768 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)[O-])C1 ZINC000258147874 387159266 /nfs/dbraw/zinc/15/92/66/387159266.db2.gz ZTDXVQFLZHPSJK-YUMQZZPRSA-N -1 0 247.266 1.666 50 0 BDAARM CCOCCC1C(=O)N=C(SC)N=C1[O-] ZINC000013597222 387316055 /nfs/dbraw/zinc/31/60/55/387316055.db2.gz XZJPBUNHECRIEW-UHFFFAOYSA-N -1 0 230.289 1.189 50 0 BDAARM C[C@H](NC(=O)CCC(=O)[O-])C1=CCCCC1 ZINC000426583925 387580907 /nfs/dbraw/zinc/58/09/07/387580907.db2.gz DQQQTCFGLKVWPN-VIFPVBQESA-N -1 0 225.288 1.856 50 0 BDAARM CCOc1ccc(C(=O)NC(C)(C)C(=O)[O-])o1 ZINC000426387133 387563342 /nfs/dbraw/zinc/56/33/42/387563342.db2.gz RZGWHNJWPAAIRS-UHFFFAOYSA-N -1 0 241.243 1.271 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000237115324 387922119 /nfs/dbraw/zinc/92/21/19/387922119.db2.gz JQCXNEOCUUUZRG-GBIKHYSHSA-N -1 0 239.315 1.792 50 0 BDAARM O=C([O-])CC[S@@](=O)Cc1ccccc1 ZINC000037921910 387954418 /nfs/dbraw/zinc/95/44/18/387954418.db2.gz BQGYEWHKOUNPSW-AWEZNQCLSA-N -1 0 212.270 1.410 50 0 BDAARM O=C([O-])CCCCCNc1ncnc2nc[nH]c21 ZINC000002010754 387954371 /nfs/dbraw/zinc/95/43/71/387954371.db2.gz OAMAZZRKJZQBMP-UHFFFAOYSA-N -1 0 249.274 1.410 50 0 biogenic BDAARM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094534 256517856 /nfs/dbraw/zinc/51/78/56/256517856.db2.gz NJHLXYNGPQOJLU-XCBNKYQSSA-N -1 0 219.240 1.979 50 0 BDAARM Cc1sc(N)nc1-c1cccc(C(=O)[O-])n1 ZINC000170621869 388259391 /nfs/dbraw/zinc/25/93/91/388259391.db2.gz RENSYPKKNXLVGW-UHFFFAOYSA-N -1 0 235.268 1.794 50 0 BDAARM CS(=O)(=O)[N-]C(=O)c1cc2ccccc2o1 ZINC000042278964 388275576 /nfs/dbraw/zinc/27/55/76/388275576.db2.gz KMCFMYQKONGNSM-UHFFFAOYSA-N -1 0 239.252 1.122 50 0 BDAARM O=C([O-])COc1cc(Cl)ccc1O ZINC000003190053 388368614 /nfs/dbraw/zinc/36/86/14/388368614.db2.gz KCKXUFAFXCCVNN-UHFFFAOYSA-N -1 0 202.593 1.509 50 0 BDAARM C[C@H](NC(=O)c1cccc2c1ccn2C)C(=O)[O-] ZINC000217602624 388377761 /nfs/dbraw/zinc/37/77/61/388377761.db2.gz ICXLQZOMVSVDFB-QMMMGPOBSA-N -1 0 246.266 1.381 50 0 biogenic BDAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC000213384032 388383047 /nfs/dbraw/zinc/38/30/47/388383047.db2.gz MAGPYUACZDQKBA-ZBJFTSOASA-N -1 0 235.239 1.226 50 0 BDAARM C[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000195542078 388480149 /nfs/dbraw/zinc/48/01/49/388480149.db2.gz RCIWOWAOOUIUIE-ZJUUUORDSA-N -1 0 235.283 1.455 50 0 BDAARM CCN(CCC(=O)[O-])C(=O)C[C@@H]1CCCCO1 ZINC000095031106 388590071 /nfs/dbraw/zinc/59/00/71/388590071.db2.gz ZKZZUYOZCMQRDT-JTQLQIEISA-N -1 0 243.303 1.269 50 0 BDAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000111754253 388661740 /nfs/dbraw/zinc/66/17/40/388661740.db2.gz FNTNSZPLICLPHV-JMJZKYOTSA-N -1 0 233.267 1.585 50 0 BDAARM CC(=NNc1[nH]c(=O)nc2ccccc21)C(=O)[O-] ZINC000254377623 388713654 /nfs/dbraw/zinc/71/36/54/388713654.db2.gz DUBBDKWTKGPKAF-UHFFFAOYSA-N -1 0 246.226 1.208 50 0 BDAARM CCN(CC(=O)[O-])C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000095970042 388797281 /nfs/dbraw/zinc/79/72/81/388797281.db2.gz IZKPFXKNJGAXLS-ZJUUUORDSA-N -1 0 227.304 1.746 50 0 BDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000095989511 388800482 /nfs/dbraw/zinc/80/04/82/388800482.db2.gz XJNPCSPKJWDWMT-GDPRMGEGSA-N -1 0 239.315 1.602 50 0 BDAARM C/C(=C\C(=O)NCCC(=O)[O-])C(C)(C)C ZINC000095424231 388769764 /nfs/dbraw/zinc/76/97/64/388769764.db2.gz PYWMCDCMXGBQPK-BQYQJAHWSA-N -1 0 213.277 1.570 50 0 BDAARM C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000037517190 388891542 /nfs/dbraw/zinc/89/15/42/388891542.db2.gz FNTNSZPLICLPHV-IEBDPFPHSA-N -1 0 233.267 1.585 50 0 BDAARM Cc1c[nH]c(=O)n1-c1ccc(C(=O)[O-])cc1 ZINC000036379820 177641020 /nfs/dbraw/zinc/64/10/20/177641020.db2.gz SQRRUHFHYXAIAF-UHFFFAOYSA-N -1 0 218.212 1.172 50 0 BDAARM CCN1c2ccccc2C([O-])=CS1(=O)=O ZINC000013362811 132321703 /nfs/dbraw/zinc/32/17/03/132321703.db2.gz NFGUPHSBQSPLCC-UHFFFAOYSA-N -1 0 225.269 1.039 50 0 BDAARM C[C@@H]1Oc2ccc(C(=O)[O-])cc2N(C)C1=O ZINC000022995903 132332951 /nfs/dbraw/zinc/33/29/51/132332951.db2.gz LUJIBMNZMWTEDM-LURJTMIESA-N -1 0 221.212 1.129 50 0 BDAARM C[C@@H]1COc2ccc(C(=O)[O-])cc2N1C ZINC000045795911 132354778 /nfs/dbraw/zinc/35/47/78/132354778.db2.gz ALXUVNKYRSRFEY-SSDOTTSWSA-N -1 0 207.229 1.602 50 0 BDAARM O=C([O-])c1cncc(N2CCCCC2)n1 ZINC000001102000 132313999 /nfs/dbraw/zinc/31/39/99/132313999.db2.gz QAGSQSWSDKCMGK-UHFFFAOYSA-N -1 0 207.233 1.165 50 0 BDAARM Cc1cc(C)nc(N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000004399972 132316636 /nfs/dbraw/zinc/31/66/36/132316636.db2.gz YCSSRSNBRMYUKP-SNVBAGLBSA-N -1 0 235.287 1.394 50 0 BDAARM Cc1cc(C(=O)[O-])nc(N2CCCCC2)n1 ZINC000011729646 132320430 /nfs/dbraw/zinc/32/04/30/132320430.db2.gz SHPZZQLFUMCWFR-UHFFFAOYSA-N -1 0 221.260 1.474 50 0 BDAARM O=C([O-])c1ncccc1N1CCCCC1 ZINC000012370221 132321162 /nfs/dbraw/zinc/32/11/62/132321162.db2.gz QIWMAMIMWHCYGZ-UHFFFAOYSA-N -1 0 206.245 1.770 50 0 BDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000263185690 135338162 /nfs/dbraw/zinc/33/81/62/135338162.db2.gz HVPVPBBJPFGYHB-XBLOIYCDSA-N -1 0 237.299 1.402 50 0 BDAARM Cc1ccc2ncnc(N(C)CCC(=O)[O-])c2c1 ZINC000263436173 135354793 /nfs/dbraw/zinc/35/47/93/135354793.db2.gz VJCDXDYUXHNAKT-UHFFFAOYSA-N -1 0 245.282 1.849 50 0 BDAARM C[C@H](CN(C)c1ncccc1F)C(=O)[O-] ZINC000263543628 135358606 /nfs/dbraw/zinc/35/86/06/135358606.db2.gz FKFMOIDKMCWNQW-SSDOTTSWSA-N -1 0 212.224 1.378 50 0 BDAARM C[C@@H](CN(C)c1noc(C(C)(C)C)n1)C(=O)[O-] ZINC000263566891 135362490 /nfs/dbraw/zinc/36/24/90/135362490.db2.gz XAAUKHNRVRSBLY-ZETCQYMHSA-N -1 0 241.291 1.524 50 0 BDAARM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000011891240 166523776 /nfs/dbraw/zinc/52/37/76/166523776.db2.gz UPRYOSPWSCDFEL-MRVPVSSYSA-N -1 0 213.277 1.356 50 0 BDAARM CC(C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000013442417 166720486 /nfs/dbraw/zinc/72/04/86/166720486.db2.gz ALLZYLRFAPLVNJ-UHFFFAOYSA-N -1 0 235.283 1.700 50 0 BDAARM CC(C)NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000003357003 167037555 /nfs/dbraw/zinc/03/75/55/167037555.db2.gz BIDCEEMOEXNZLQ-UHFFFAOYSA-N -1 0 213.277 1.546 50 0 BDAARM CCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000193566191 168235096 /nfs/dbraw/zinc/23/50/96/168235096.db2.gz RVNZTZBKWUMGBD-UHFFFAOYSA-N -1 0 219.306 1.175 50 0 BDAARM CCC(C)(C)C(=O)N(C)CCCC(=O)[O-] ZINC000054401720 168260950 /nfs/dbraw/zinc/26/09/50/168260950.db2.gz SGYJEQCPUDIRIZ-UHFFFAOYSA-N -1 0 215.293 1.746 50 0 BDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1C ZINC000022129928 169946843 /nfs/dbraw/zinc/94/68/43/169946843.db2.gz UKAGVVHRYCYKJP-AAEUAGOBSA-N -1 0 247.294 1.989 50 0 BDAARM CCOC(=O)c1c[n-]c2c(F)cccc2c1=O ZINC000012410500 170289924 /nfs/dbraw/zinc/28/99/24/170289924.db2.gz MPUYCZQHTGRPNE-UHFFFAOYSA-N -1 0 235.214 1.844 50 0 BDAARM CCOC(=O)c1nnc(-c2ccccn2)[n-]1 ZINC000000105964 170305949 /nfs/dbraw/zinc/30/59/49/170305949.db2.gz KHVTXPYEXJSEKT-UHFFFAOYSA-N -1 0 218.216 1.043 50 0 BDAARM CCOc1ccc2cc(C(=O)[O-])c(=O)oc2c1 ZINC000011617480 170570060 /nfs/dbraw/zinc/57/00/60/170570060.db2.gz YDYPFONHKLFGFK-UHFFFAOYSA-N -1 0 234.207 1.890 50 0 BDAARM CC[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000007076531 171237978 /nfs/dbraw/zinc/23/79/78/171237978.db2.gz KOISFQPSDTYGKX-SNVBAGLBSA-N -1 0 219.240 1.506 50 0 BDAARM CC[C@H](C)[C@H](NC(=O)NC1CCCC1)C(=O)[O-] ZINC000006358390 171398497 /nfs/dbraw/zinc/39/84/97/171398497.db2.gz KKOORKMAXSGAOU-WPRPVWTQSA-N -1 0 242.319 1.728 50 0 biogenic BDAARM CCc1cc(=O)oc2cc(OCC(=O)[O-])ccc12 ZINC000000239904 171748856 /nfs/dbraw/zinc/74/88/56/171748856.db2.gz IXQLKTMNNSRLAE-UHFFFAOYSA-N -1 0 248.234 1.819 50 0 biogenic BDAARM CCc1nnc(SCC(=O)[O-])n1C1CC1 ZINC000020592036 172061993 /nfs/dbraw/zinc/06/19/93/172061993.db2.gz GPUOXNZVYFKOTC-UHFFFAOYSA-N -1 0 227.289 1.352 50 0 BDAARM CCn1nc(C)c(Br)c1C(=O)[O-] ZINC000000121429 172241721 /nfs/dbraw/zinc/24/17/21/172241721.db2.gz CABAIQRHBLZKEG-UHFFFAOYSA-N -1 0 233.065 1.672 50 0 BDAARM CNC(=O)c1ccccc1SCCC(=O)[O-] ZINC000000161522 173312620 /nfs/dbraw/zinc/31/26/20/173312620.db2.gz IGRXWHHQJVDOPL-UHFFFAOYSA-N -1 0 239.296 1.613 50 0 BDAARM COC(=O)c1cc(=O)n(-c2ccc(F)cc2)[n-]1 ZINC000006003806 173860489 /nfs/dbraw/zinc/86/04/89/173860489.db2.gz NMHSTNZYBIGESI-UHFFFAOYSA-N -1 0 236.202 1.504 50 0 BDAARM COCCCC(=O)N(CCC(=O)[O-])C(C)C ZINC000087420530 174160143 /nfs/dbraw/zinc/16/01/43/174160143.db2.gz KCJLPPJGUVNQRU-UHFFFAOYSA-N -1 0 231.292 1.125 50 0 BDAARM COCCCn1cnc2cc(C(=O)[O-])ccc21 ZINC000031772034 174267638 /nfs/dbraw/zinc/26/76/38/174267638.db2.gz HBBGWLFHAGOMRG-UHFFFAOYSA-N -1 0 234.255 1.771 50 0 BDAARM COc1ccc(-n2ccc(C(=O)[O-])n2)cc1 ZINC000020475876 175043725 /nfs/dbraw/zinc/04/37/25/175043725.db2.gz WKALCJSOAPWBSJ-UHFFFAOYSA-N -1 0 218.212 1.579 50 0 BDAARM COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000034259925 175047925 /nfs/dbraw/zinc/04/79/25/175047925.db2.gz WUVZUPQRHXCIKE-BZJXQOFCSA-N -1 0 249.266 1.298 50 0 BDAARM COc1ccc(/C=C\C(=O)NCCC(=O)[O-])cc1 ZINC000006008766 175048472 /nfs/dbraw/zinc/04/84/72/175048472.db2.gz CRPNSNIDMGEYJV-DAXSKMNVSA-N -1 0 249.266 1.299 50 0 BDAARM COc1ccc(C)cc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000003445831 175076996 /nfs/dbraw/zinc/07/69/96/175076996.db2.gz PLQYUMDHVHCXAC-VIFPVBQESA-N -1 0 249.266 1.441 50 0 BDAARM COc1ccc(OC)c(C(=O)[O-])c1F ZINC000144102199 175164245 /nfs/dbraw/zinc/16/42/45/175164245.db2.gz KKXGHSOLMUAXJH-UHFFFAOYSA-N -1 0 200.165 1.541 50 0 BDAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000040162850 175185975 /nfs/dbraw/zinc/18/59/75/175185975.db2.gz QNSWMCHYUYYFKA-ZYHUDNBSSA-N -1 0 249.266 1.299 50 0 BDAARM COc1ccc2c(c1)ncc(C(=O)[O-])c2O ZINC000008700758 175205843 /nfs/dbraw/zinc/20/58/43/175205843.db2.gz QROPNBKULZRDMD-UHFFFAOYSA-N -1 0 219.196 1.647 50 0 biogenic BDAARM COc1ccc2c(c1)C[C@H](C(=O)[O-])CC2 ZINC000016698060 175210496 /nfs/dbraw/zinc/21/04/96/175210496.db2.gz ZDULJHJAQFHUJX-SECBINFHSA-N -1 0 206.241 1.885 50 0 BDAARM COc1ccc2[nH]c(=O)cc(C(=O)[O-])c2c1 ZINC000008964400 175228253 /nfs/dbraw/zinc/22/82/53/175228253.db2.gz ATQXNYQCZFMIKY-UHFFFAOYSA-N -1 0 219.196 1.647 50 0 BDAARM COc1cccc(/C=C\C(=O)NCCC(=O)[O-])c1 ZINC000210370744 175240344 /nfs/dbraw/zinc/24/03/44/175240344.db2.gz DJAONBNMPBHYSV-WAYWQWQTSA-N -1 0 249.266 1.299 50 0 BDAARM COc1cccc(C(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000000170433 175247254 /nfs/dbraw/zinc/24/72/54/175247254.db2.gz FVPSRHTWXLDYEU-UHFFFAOYSA-N -1 0 245.234 1.953 50 0 BDAARM COc1cccc(OCc2n[n-]c(=S)o2)c1 ZINC000017946029 175284192 /nfs/dbraw/zinc/28/41/92/175284192.db2.gz LTFGLQCXRUVLPO-UHFFFAOYSA-N -1 0 238.268 1.946 50 0 BDAARM COc1cccc([C@@H]2OC(=O)[N-]C2=O)c1OC ZINC000027872729 175290408 /nfs/dbraw/zinc/29/04/08/175290408.db2.gz VQPAZJCWUISDIP-VIFPVBQESA-N -1 0 237.211 1.011 50 0 BDAARM COc1cccc([C@@](N)(C(=O)[O-])C(F)(F)F)c1 ZINC000069548543 175291955 /nfs/dbraw/zinc/29/19/55/175291955.db2.gz TZGOEAGUFDXFRQ-SECBINFHSA-N -1 0 249.188 1.496 50 0 BDAARM COc1ccccc1-c1noc(CCC(=O)[O-])n1 ZINC000004992744 175311943 /nfs/dbraw/zinc/31/19/43/175311943.db2.gz IQXXNMCDSHIYDO-UHFFFAOYSA-N -1 0 248.238 1.762 50 0 BDAARM COc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000004291753 175349884 /nfs/dbraw/zinc/34/98/84/175349884.db2.gz LEVUYFUCJRHCNR-PSASIEDQSA-N -1 0 239.296 1.483 50 0 BDAARM COc1ccccc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000000859743 175355587 /nfs/dbraw/zinc/35/55/87/175355587.db2.gz LEVUYFUCJRHCNR-WPRPVWTQSA-N -1 0 239.296 1.483 50 0 BDAARM COc1ccnc(/C=C/C(=O)[O-])c1OC ZINC000003132652 175356977 /nfs/dbraw/zinc/35/69/77/175356977.db2.gz JQJYDEUQCCLHQB-ONEGZZNKSA-N -1 0 209.201 1.197 50 0 BDAARM COc1cn(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000026420988 175380407 /nfs/dbraw/zinc/38/04/07/175380407.db2.gz FOSJRFHQENWOKN-UHFFFAOYSA-N -1 0 236.202 1.718 50 0 BDAARM C[C@@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000000802043 175658913 /nfs/dbraw/zinc/65/89/13/175658913.db2.gz OONRYWBUICKQEV-LURJTMIESA-N -1 0 228.273 1.583 50 0 BDAARM C[C@@H](NC(=O)NC1CCCCC1)C(=O)[O-] ZINC000005912613 175838327 /nfs/dbraw/zinc/83/83/27/175838327.db2.gz RCFOPGZRGVAKMG-SSDOTTSWSA-N -1 0 214.265 1.091 50 0 BDAARM C[C@@H]1CCCN(C(=S)SCC(=O)[O-])C1 ZINC000003440538 176096117 /nfs/dbraw/zinc/09/61/17/176096117.db2.gz MVHAGEYWNWUNDP-SSDOTTSWSA-N -1 0 233.358 1.821 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000221797560 176386110 /nfs/dbraw/zinc/38/61/10/176386110.db2.gz XHPYETVGMMJXTR-BGZDPUMWSA-N -1 0 211.261 1.012 50 0 BDAARM C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)[O-] ZINC000083888133 176451083 /nfs/dbraw/zinc/45/10/83/176451083.db2.gz LUMABZPKMQYXAZ-MRVPVSSYSA-N -1 0 219.240 1.044 50 0 BDAARM C[C@H]1CC/C(=C\C(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000269078627 177066983 /nfs/dbraw/zinc/06/69/83/177066983.db2.gz BTOVVNCAUQBAGP-XEFMAMCISA-N -1 0 237.299 1.808 50 0 BDAARM C[C@H]1CCCC[C@H]1NC(=O)CSCC(=O)[O-] ZINC000003444811 177087846 /nfs/dbraw/zinc/08/78/46/177087846.db2.gz IUAOYMXHFMJGSV-DTWKUNHWSA-N -1 0 245.344 1.499 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000006726068 177217787 /nfs/dbraw/zinc/21/77/87/177217787.db2.gz QUPIUYNKDWUNKQ-BBBLOLIVSA-N -1 0 243.303 1.123 50 0 BDAARM C[C@H]1Cc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000000874563 177389907 /nfs/dbraw/zinc/38/99/07/177389907.db2.gz ODIZGPXUVVEESJ-VIFPVBQESA-N -1 0 233.267 1.829 50 0 BDAARM C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000071478344 177398675 /nfs/dbraw/zinc/39/86/75/177398675.db2.gz XUJUXKBCUVWHIX-SFYZADRCSA-N -1 0 245.275 1.095 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000062912949 177457430 /nfs/dbraw/zinc/45/74/30/177457430.db2.gz QPEMIKKICBJAFT-MFKMUULPSA-N -1 0 237.299 1.666 50 0 BDAARM Cc1c2ccc(N)cc2oc(=O)c1CC(=O)[O-] ZINC000000057548 177580649 /nfs/dbraw/zinc/58/06/49/177580649.db2.gz QEQDLKUMPUDNPG-UHFFFAOYSA-N -1 0 233.223 1.311 50 0 biogenic BDAARM COc1cccc([C@H](NC(=O)C2CC2)C(=O)[O-])c1 ZINC000041302800 487925103 /nfs/dbraw/zinc/92/51/03/487925103.db2.gz FEMRDUMSNAXULB-NSHDSACASA-N -1 0 249.266 1.347 50 0 BDAARM Cc1ccc2c(c1)NC(=O)[N-]S2(=O)=O ZINC000039236220 322905452 /nfs/dbraw/zinc/90/54/52/322905452.db2.gz RLILHXWAPZBTAW-UHFFFAOYSA-N -1 0 212.230 1.023 50 0 BDAARM C[C@H](Oc1cccc(-c2cncnc2)c1)C(=O)[O-] ZINC000534647994 323158229 /nfs/dbraw/zinc/15/82/29/323158229.db2.gz YKMVOWFHHPASOV-VIFPVBQESA-N -1 0 244.250 1.996 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2ccco2)C1 ZINC000085006802 488122245 /nfs/dbraw/zinc/12/22/45/488122245.db2.gz LVABXIFXTDAADH-YUMQZZPRSA-N -1 0 223.228 1.263 50 0 BDAARM C=CCCC(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000085006746 488122724 /nfs/dbraw/zinc/12/27/24/488122724.db2.gz WLGFLSDIZQDXAE-IUCAKERBSA-N -1 0 211.261 1.322 50 0 BDAARM O=S(=O)([N-]c1ccccn1)c1ccccc1 ZINC000000050504 487470980 /nfs/dbraw/zinc/47/09/80/487470980.db2.gz QOMITRCCGIXFIG-UHFFFAOYSA-N -1 0 234.280 1.882 50 0 BDAARM C[C@@H]1C[C@@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000115841840 488170188 /nfs/dbraw/zinc/17/01/88/488170188.db2.gz WZZGWPOKJCVJGU-HTQZYQBOSA-N -1 0 229.276 1.717 50 0 BDAARM N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC000075260875 490521038 /nfs/dbraw/zinc/52/10/38/490521038.db2.gz MKUHGIWLUUDGTA-HYXAFXHYSA-N -1 0 208.129 1.179 50 0 BDAARM CC(C)[C@H](C)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000242273494 519811374 /nfs/dbraw/zinc/81/13/74/519811374.db2.gz YDDICTCWMBQXHC-INTQDDNPSA-N -1 0 239.315 1.743 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000299743050 523450242 /nfs/dbraw/zinc/45/02/42/523450242.db2.gz JQCXNEOCUUUZRG-OUJBWJOFSA-N -1 0 239.315 1.792 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000085396840 525301997 /nfs/dbraw/zinc/30/19/97/525301997.db2.gz PGKUSBLIDFWNGG-VGMNWLOBSA-N -1 0 211.261 1.108 50 0 BDAARM O=C([O-])CCCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000195549139 527583679 /nfs/dbraw/zinc/58/36/79/527583679.db2.gz NROVRJWVBIBZHY-VHSXEESVSA-N -1 0 225.288 1.404 50 0 BDAARM CC[C@@H](C(=O)[O-])N1CCO[C@H](C(C)C)C1 ZINC000263581671 535437715 /nfs/dbraw/zinc/43/77/15/535437715.db2.gz XMNRRCIFLQEPFX-UWVGGRQHSA-N -1 0 215.293 1.206 50 0 BDAARM CN1C(=O)CCc2cc(C(=O)[O-])ccc21 ZINC000011730022 536311658 /nfs/dbraw/zinc/31/16/58/536311658.db2.gz BDQUEXZLCXOYOO-UHFFFAOYSA-N -1 0 205.213 1.294 50 0 BDAARM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)[O-] ZINC000216167017 566325535 /nfs/dbraw/zinc/32/55/35/566325535.db2.gz DSMQYTCHWMLLLA-RKDXNWHRSA-N -1 0 243.303 1.964 50 0 BDAARM CC[C@@H](CCC[C@H]1CCNC(=O)N1)CC(=O)[O-] ZINC000000199462 642750463 /nfs/dbraw/zinc/75/04/63/642750463.db2.gz HHANQANOVUZMLJ-UWVGGRQHSA-N -1 0 242.319 1.729 50 0 BDAARM CC(=O)Nc1cc(C(=O)[O-])cc(N)c1Cl ZINC000000446347 642777502 /nfs/dbraw/zinc/77/75/02/642777502.db2.gz FMDQFDFZADBSMS-UHFFFAOYSA-N -1 0 228.635 1.579 50 0 BDAARM O=c1[n-]c(CNCc2ccc(Cl)s2)n[nH]1 ZINC000392345154 711144661 /nfs/dbraw/zinc/14/46/61/711144661.db2.gz GEOUQPRQRXYSTM-UHFFFAOYSA-N -1 0 244.707 1.515 50 0 BDAARM COC(=O)[C@@H]1CCN1c1ccc(C(=O)[O-])s1 ZINC000725345200 711664302 /nfs/dbraw/zinc/66/43/02/711664302.db2.gz INHKEEQOPOBADE-LURJTMIESA-N -1 0 241.268 1.198 50 0 BDAARM CCc1nc(=NCc2cc3n(n2)CCC3)s[n-]1 ZINC000585092622 972132811 /nfs/dbraw/zinc/13/28/11/972132811.db2.gz HGALFOODACMZGL-UHFFFAOYSA-N -1 0 249.343 1.277 50 0 BDAARM CC1(C)CCC[N@@H+]([C@H](CCC(=O)[O-])C(=O)[O-])C1 ZINC000952847862 974052028 /nfs/dbraw/zinc/05/20/28/974052028.db2.gz PFJIBIBGWLQXPX-SECBINFHSA-N -1 0 243.303 1.426 50 0 BDAARM CCCn1c(SC(C)C)n[nH]c1=O ZINC000010438669 346810856 /nfs/dbraw/zinc/81/08/56/346810856.db2.gz FRBQYUUEERVEQU-UHFFFAOYSA-N -1 0 201.295 1.894 50 0 BDAARM Cc1cc(Cl)c(O)cc1OCC(=O)[O-] ZINC000068593263 178061479 /nfs/dbraw/zinc/06/14/79/178061479.db2.gz BVDLJZXNQCPLAM-UHFFFAOYSA-N -1 0 216.620 1.817 50 0 BDAARM Cc1cc(Cl)ccc1-n1cnc(=O)[n-]1 ZINC000143827672 178064791 /nfs/dbraw/zinc/06/47/91/178064791.db2.gz UIORRJDOYYYEAF-UHFFFAOYSA-N -1 0 209.636 1.935 50 0 BDAARM Cc1cscc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000086815060 398166030 /nfs/dbraw/zinc/16/60/30/398166030.db2.gz AQAMWLHLWXMALK-LURJTMIESA-N -1 0 227.285 1.507 50 0 BDAARM Cc1cc(F)ccc1NC(=O)CCC(=O)[O-] ZINC000000083066 178088339 /nfs/dbraw/zinc/08/83/39/178088339.db2.gz ZTUOJUZSDAFSRS-UHFFFAOYSA-N -1 0 225.219 1.937 50 0 BDAARM O=C([O-])Cc1ncc(C(F)(F)F)cc1F ZINC000199713967 398204256 /nfs/dbraw/zinc/20/42/56/398204256.db2.gz MUURSRJUJPUCMS-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM Cc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])C2)no1 ZINC000075403656 178146089 /nfs/dbraw/zinc/14/60/89/178146089.db2.gz AKBTUZWSTIORSK-HTQZYQBOSA-N -1 0 238.243 1.422 50 0 BDAARM Cc1cc(NC(=O)c2cccnc2C(=O)[O-])no1 ZINC000002555911 178151480 /nfs/dbraw/zinc/15/14/80/178151480.db2.gz WKVNXKKXYJYPCW-UHFFFAOYSA-N -1 0 247.210 1.329 50 0 BDAARM Cc1cc([O-])c(Br)c(=O)o1 ZINC000002552106 178194163 /nfs/dbraw/zinc/19/41/63/178194163.db2.gz UXDAQTASWKDWCF-UHFFFAOYSA-N -1 0 205.007 1.416 50 0 BDAARM Cc1cc(=O)n(-c2ccc(C(=O)[O-])cc2)[nH]1 ZINC000100487918 178201175 /nfs/dbraw/zinc/20/11/75/178201175.db2.gz WVUSFTYCRLXIOI-UHFFFAOYSA-N -1 0 218.212 1.585 50 0 BDAARM Cc1cc2c(c(SCC(=O)[O-])n1)C(=O)OC2 ZINC000004502017 178283435 /nfs/dbraw/zinc/28/34/35/178283435.db2.gz IKHPOZMORFTFTL-UHFFFAOYSA-N -1 0 239.252 1.237 50 0 BDAARM COc1cc(C)c([S@@](=O)[O-])c(C)c1 ZINC000200528414 538949417 /nfs/dbraw/zinc/94/94/17/538949417.db2.gz SWDPVMKPKJYRCH-UHFFFAOYSA-N -1 0 200.259 1.893 50 0 BDAARM Cc1ccc(-n2nn[n-]c2=S)cc1Cl ZINC000006556882 178351359 /nfs/dbraw/zinc/35/13/59/178351359.db2.gz FDXFSLNSJXHONO-UHFFFAOYSA-N -1 0 226.692 1.913 50 0 BDAARM Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)c(C)c1 ZINC000037588406 178381653 /nfs/dbraw/zinc/38/16/53/178381653.db2.gz MEAUBPZDHILZRS-UHFFFAOYSA-N -1 0 247.294 1.993 50 0 BDAARM Cc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000062912733 178395183 /nfs/dbraw/zinc/39/51/83/178395183.db2.gz GVRIYVYNTWDJIX-CYBMUJFWSA-N -1 0 248.282 1.327 50 0 BDAARM Cc1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000000075561 342673078 /nfs/dbraw/zinc/67/30/78/342673078.db2.gz JAUNWUAOFPNAKK-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM O=C([O-])c1cc2cc3c(cc2[nH]1)OCO3 ZINC000000489320 342688963 /nfs/dbraw/zinc/68/89/63/342688963.db2.gz BJRAHWGTBUCWCY-UHFFFAOYSA-N -1 0 205.169 1.595 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000151453 342677427 /nfs/dbraw/zinc/67/74/27/342677427.db2.gz QPYOMMCYFFZXIT-SSDOTTSWSA-N -1 0 239.658 1.778 50 0 BDAARM Nc1ccc(Br)cc1C(=O)[O-] ZINC000000152502 342677429 /nfs/dbraw/zinc/67/74/29/342677429.db2.gz CUKXRHLWPSBCTI-UHFFFAOYSA-N -1 0 216.034 1.730 50 0 in-vitro BDAARM COC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000160437 342678471 /nfs/dbraw/zinc/67/84/71/342678471.db2.gz VFNNTVXOZWMVGX-WRWORJQWSA-N -1 0 214.261 1.687 50 0 BDAARM O=C([O-])c1ccc(N2CCNC2=S)cc1 ZINC000000167897 342678892 /nfs/dbraw/zinc/67/88/92/342678892.db2.gz KGCOQHIOPCCJDZ-UHFFFAOYSA-N -1 0 222.269 1.491 50 0 BDAARM O=C([O-])c1cn2c3c(cccc3c1=O)CC2 ZINC000000210363 342680289 /nfs/dbraw/zinc/68/02/89/342680289.db2.gz KEWPFFOUNDGKAH-UHFFFAOYSA-N -1 0 215.208 1.256 50 0 BDAARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000000269419 342681793 /nfs/dbraw/zinc/68/17/93/342681793.db2.gz LWBXWUBOAVLXAX-VIFPVBQESA-N -1 0 219.240 1.433 50 0 BDAARM Cc1ccc(F)c(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000000305826 342682832 /nfs/dbraw/zinc/68/28/32/342682832.db2.gz QSGKDHFXZIPZLQ-QMMMGPOBSA-N -1 0 237.230 1.572 50 0 BDAARM Cc1[nH]c(=O)[nH]c(=O)c1Oc1ccccc1 ZINC000000346383 342684459 /nfs/dbraw/zinc/68/44/59/342684459.db2.gz SINKQUKVZMRLGU-UHFFFAOYSA-N -1 0 218.212 1.164 50 0 BDAARM CCc1cc2c(ncnc2NCC(=O)[O-])s1 ZINC000000368414 342685217 /nfs/dbraw/zinc/68/52/17/342685217.db2.gz AIRNYGCICDSLJX-UHFFFAOYSA-N -1 0 237.284 1.750 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000000395920 342686252 /nfs/dbraw/zinc/68/62/52/342686252.db2.gz MOHLVDJRXGVGOM-SNVBAGLBSA-N -1 0 219.240 1.262 50 0 BDAARM Nc1c(F)c(F)c(F)c(F)c1C(=O)[O-] ZINC000000056844 342671913 /nfs/dbraw/zinc/67/19/13/342671913.db2.gz CNSGPAMLXMBLNA-UHFFFAOYSA-N -1 0 209.098 1.523 50 0 BDAARM O=C([O-])c1cc2ccc(O)cc2oc1=O ZINC000000058026 342672037 /nfs/dbraw/zinc/67/20/37/342672037.db2.gz LKLWLDOUZJEHDY-UHFFFAOYSA-N -1 0 206.153 1.197 50 0 biogenic BDAARM O=C([O-])[C@@H]1CC(c2ccccc2F)=NO1 ZINC000000819005 342693308 /nfs/dbraw/zinc/69/33/08/342693308.db2.gz DAYPQGQLFQVFPV-VIFPVBQESA-N -1 0 209.176 1.403 50 0 BDAARM CCc1cc(N)c(S(=O)(=O)[O-])cc1Cl ZINC000001574318 342703793 /nfs/dbraw/zinc/70/37/93/342703793.db2.gz DJOIZOKQHNHZPN-UHFFFAOYSA-N -1 0 235.692 1.731 50 0 BDAARM O=C([O-])c1cc(Cc2ccccc2)no1 ZINC000001758335 342712361 /nfs/dbraw/zinc/71/23/61/342712361.db2.gz IPUHHWUHLJMZIB-UHFFFAOYSA-N -1 0 203.197 1.964 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000002386293 342719799 /nfs/dbraw/zinc/71/97/99/342719799.db2.gz VGEUFFPHZNVSKU-QMMMGPOBSA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])c1cnn(-c2ccccc2)c1F ZINC000002386466 342719802 /nfs/dbraw/zinc/71/98/02/342719802.db2.gz LKZKSONDELVYHZ-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM Cc1cc(C)cc(C[P@@](=O)([O-])O)c1 ZINC000002178966 342716662 /nfs/dbraw/zinc/71/66/62/342716662.db2.gz HMGKACHCJFWEEX-UHFFFAOYSA-N -1 0 200.174 1.981 50 0 BDAARM NNc1ccc(Br)cc1C(=O)[O-] ZINC000002243455 342717437 /nfs/dbraw/zinc/71/74/37/342717437.db2.gz GVRISWMOHPFEDG-UHFFFAOYSA-N -1 0 231.049 1.433 50 0 BDAARM C[C@H](O)CCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000004009910 342740799 /nfs/dbraw/zinc/74/07/99/342740799.db2.gz NUEQRBGDMHCABN-ZETCQYMHSA-N -1 0 234.255 1.575 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc21 ZINC000004108845 342742598 /nfs/dbraw/zinc/74/25/98/342742598.db2.gz WPBWYYHYSTYXOM-VHSXEESVSA-N -1 0 231.251 1.296 50 0 BDAARM Cc1ccc(N2CC[C@H](C(=O)[O-])C2=O)cc1 ZINC000002520433 342722283 /nfs/dbraw/zinc/72/22/83/342722283.db2.gz BQAYIKBVMPQAFU-JTQLQIEISA-N -1 0 219.240 1.433 50 0 BDAARM O=C([O-])c1cnn2c1nccc2-c1ccco1 ZINC000002537088 342723306 /nfs/dbraw/zinc/72/33/06/342723306.db2.gz NQUFOVSCCDKNAV-UHFFFAOYSA-N -1 0 229.195 1.688 50 0 BDAARM CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)[O-] ZINC000003258179 342731900 /nfs/dbraw/zinc/73/19/00/342731900.db2.gz ZMUWHSNIDREDKT-JTQLQIEISA-N -1 0 239.246 1.665 50 0 BDAARM CCOc1ccc(OCCC(=O)[O-])cc1 ZINC000003319663 342732485 /nfs/dbraw/zinc/73/24/85/342732485.db2.gz GEMNAGHKYWSDRV-UHFFFAOYSA-N -1 0 210.229 1.939 50 0 BDAARM O=C([O-])c1ccc(Cl)cc1-n1cnnc1 ZINC000004935649 342754706 /nfs/dbraw/zinc/75/47/06/342754706.db2.gz DSTSETFZHGAIID-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM CC(C)[C@@H]1NC(=O)N[C@H](CC(=O)[O-])C1(C)C ZINC000005847236 342770693 /nfs/dbraw/zinc/77/06/93/342770693.db2.gz ZBAUWHVYDITMCK-APPZFPTMSA-N -1 0 228.292 1.193 50 0 BDAARM CCOc1ccc(-n2nn[n-]c2=S)cc1 ZINC000006499678 342778542 /nfs/dbraw/zinc/77/85/42/342778542.db2.gz ASFXKDBHBVHSLT-UHFFFAOYSA-N -1 0 222.273 1.350 50 0 BDAARM CS(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000130584949 323011598 /nfs/dbraw/zinc/01/15/98/323011598.db2.gz LDDCLANGAJFSAQ-UHFFFAOYSA-N -1 0 244.320 1.155 50 0 BDAARM CC(=O)N[C@@H](Cc1ccccc1C)C(=O)[O-] ZINC000004692081 342750578 /nfs/dbraw/zinc/75/05/78/342750578.db2.gz LYWQZRDVHNINGB-NSHDSACASA-N -1 0 221.256 1.127 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000006863027 342785194 /nfs/dbraw/zinc/78/51/94/342785194.db2.gz KDULWPXRFVQNQN-SECBINFHSA-N -1 0 239.658 1.778 50 0 BDAARM CSc1nc(C(=O)[O-])c2ccccn21 ZINC000008717018 342803098 /nfs/dbraw/zinc/80/30/98/342803098.db2.gz YDPHJPDQTIHHKC-UHFFFAOYSA-N -1 0 208.242 1.754 50 0 BDAARM CC(C)CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000011638560 342842266 /nfs/dbraw/zinc/84/22/66/342842266.db2.gz PTXXCRICEBFHRL-VIFPVBQESA-N -1 0 213.277 1.498 50 0 BDAARM C[C@H]1Cc2cccc3c2n1c(=O)cc3[O-] ZINC000104639050 539015000 /nfs/dbraw/zinc/01/50/00/539015000.db2.gz ZUMIAKYZCOJMKV-ZETCQYMHSA-N -1 0 201.225 1.551 50 0 BDAARM Cn1cc(C=O)c2c1cccc2C(=O)[O-] ZINC000011919634 342844648 /nfs/dbraw/zinc/84/46/48/342844648.db2.gz SRFWEFONCCXCRI-UHFFFAOYSA-N -1 0 203.197 1.689 50 0 biogenic BDAARM CCc1c(C(=O)[O-])cnn1-c1ccccn1 ZINC000012481537 342852784 /nfs/dbraw/zinc/85/27/84/342852784.db2.gz YGUYAMAJYZDTGO-UHFFFAOYSA-N -1 0 217.228 1.528 50 0 BDAARM [NH3+][C@]1(C(=O)[O-])CCCCc2ccccc21 ZINC000012955553 342861906 /nfs/dbraw/zinc/86/19/06/342861906.db2.gz OHTWNHRAUQJEQT-GFCCVEGCSA-N -1 0 205.257 1.652 50 0 biogenic BDAARM CC1(C)Cc2sc3c([n-]cnc3=O)c2CO1 ZINC000013689362 342870447 /nfs/dbraw/zinc/87/04/47/342870447.db2.gz KZRPLVJDXFWOPK-UHFFFAOYSA-N -1 0 236.296 1.836 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1C ZINC000059881421 342874218 /nfs/dbraw/zinc/87/42/18/342874218.db2.gz YMXDXNIJWBUTAM-IUCAKERBSA-N -1 0 213.277 1.212 50 0 BDAARM CO[N-]C(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000032904015 342899848 /nfs/dbraw/zinc/89/98/48/342899848.db2.gz CEIOTMNJHJKLTH-SECBINFHSA-N -1 0 209.245 1.440 50 0 BDAARM O=C([O-])[C@@]12C[C@H]3C[C@@H](C1)C[C@](n1cncn1)(C3)C2 ZINC000100537531 398336920 /nfs/dbraw/zinc/33/69/20/398336920.db2.gz NTUMBFHGMUZUBG-QZHINBJYSA-N -1 0 247.298 1.658 50 0 BDAARM O=C([O-])[C@H]1CCCCN1c1nccs1 ZINC000019255933 342944639 /nfs/dbraw/zinc/94/46/39/342944639.db2.gz DDJJGPGHEHBBFI-SSDOTTSWSA-N -1 0 212.274 1.587 50 0 BDAARM COC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000019815842 342958736 /nfs/dbraw/zinc/95/87/36/342958736.db2.gz QGICDLYPUUZBIV-SECBINFHSA-N -1 0 223.228 1.038 50 0 BDAARM O=c1cc(CSCc2ccccc2)[nH]c(=O)[nH]1 ZINC000020031278 342966771 /nfs/dbraw/zinc/96/67/71/342966771.db2.gz QNFIDULTCCXLRL-UHFFFAOYSA-N -1 0 248.307 1.497 50 0 BDAARM Nc1cc(Br)c(O)c(C(=O)[O-])c1 ZINC000022124224 343040425 /nfs/dbraw/zinc/04/04/25/343040425.db2.gz MKLFPGIAAXLPRB-UHFFFAOYSA-N -1 0 232.033 1.435 50 0 BDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1C ZINC000022129930 343041100 /nfs/dbraw/zinc/04/11/00/343041100.db2.gz UKAGVVHRYCYKJP-DGCLKSJQSA-N -1 0 247.294 1.989 50 0 BDAARM O=S(=O)([O-])Cc1noc2ccccc21 ZINC000022049801 343037595 /nfs/dbraw/zinc/03/75/95/343037595.db2.gz BNWNQJBNOQDMHB-UHFFFAOYSA-N -1 0 213.214 1.216 50 0 in-vitro BDAARM CCOc1ncc(C(=O)[O-])cc1Cl ZINC000022218404 343044843 /nfs/dbraw/zinc/04/48/43/343044843.db2.gz KFJJKOQGQVNZEN-UHFFFAOYSA-N -1 0 201.609 1.832 50 0 BDAARM C[C@H](CS(=O)[O-])C(=O)NC1CCCCC1 ZINC000012383574 343051873 /nfs/dbraw/zinc/05/18/73/343051873.db2.gz BQGWPECXABUNQH-MRVPVSSYSA-N -1 0 233.333 1.293 50 0 BDAARM O=C([O-])[C@H]1C(=O)NC[C@H]1c1ccc(Cl)cc1 ZINC000022782133 343073605 /nfs/dbraw/zinc/07/36/05/343073605.db2.gz UNTIWFGDNPKRDT-DTWKUNHWSA-N -1 0 239.658 1.254 50 0 BDAARM Cc1ccc(Cl)cc1NC(=O)C(=O)[O-] ZINC000004845850 343139341 /nfs/dbraw/zinc/13/93/41/343139341.db2.gz IXCAVDACSNFVKE-UHFFFAOYSA-N -1 0 213.620 1.672 50 0 BDAARM Nc1c(F)cc(C(=O)[O-])cc1Br ZINC000031829462 343225542 /nfs/dbraw/zinc/22/55/42/343225542.db2.gz PJVAVLLTKLXTFX-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM Cc1cn2cc(CCC(=O)[O-])nc2s1 ZINC000035270218 343291284 /nfs/dbraw/zinc/29/12/84/343291284.db2.gz YTWBWEHALFLJQN-UHFFFAOYSA-N -1 0 210.258 1.721 50 0 BDAARM O=C([O-])c1ccc2c(Cl)ncnc2c1 ZINC000035270022 343291538 /nfs/dbraw/zinc/29/15/38/343291538.db2.gz APWMYFRHUCIZII-UHFFFAOYSA-N -1 0 208.604 1.981 50 0 BDAARM CC(C)(C(=O)[O-])C(=O)Nc1ccccc1 ZINC000038337799 343373738 /nfs/dbraw/zinc/37/37/38/343373738.db2.gz QWTZGCYJOCNTEI-UHFFFAOYSA-N -1 0 207.229 1.736 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1C=CCC[C@@H]1C(=O)[O-] ZINC000038528625 343376045 /nfs/dbraw/zinc/37/60/45/343376045.db2.gz QWRRLPZJKAWOFL-DTWKUNHWSA-N -1 0 241.287 1.931 50 0 BDAARM CCc1ccc(C(=O)[O-])cc1S(C)(=O)=O ZINC000037227905 343340314 /nfs/dbraw/zinc/34/03/14/343340314.db2.gz UZXZPWZXZMHXNQ-UHFFFAOYSA-N -1 0 228.269 1.351 50 0 BDAARM O=C([O-])[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000037228340 343340547 /nfs/dbraw/zinc/34/05/47/343340547.db2.gz WBPMJYDOICNNEP-SECBINFHSA-N -1 0 227.166 1.542 50 0 BDAARM Cc1ccc2c(O)c(C(=O)[O-])cnc2c1 ZINC000037593763 343348564 /nfs/dbraw/zinc/34/85/64/343348564.db2.gz RYVUQGFVQHXYKQ-UHFFFAOYSA-N -1 0 203.197 1.535 50 0 BDAARM Cc1cc(O)cc(=O)n1CCCCCC(=O)[O-] ZINC000039315660 343388256 /nfs/dbraw/zinc/38/82/56/343388256.db2.gz MNYGFCHMWCVRSV-UHFFFAOYSA-N -1 0 239.271 1.507 50 0 BDAARM O=C([O-])c1cccnc1[S@@](=O)C(F)(F)F ZINC000039947479 343393622 /nfs/dbraw/zinc/39/36/22/343393622.db2.gz UVOSJCQGLKQQNH-HNNXBMFYSA-N -1 0 239.174 1.407 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000040162936 343397443 /nfs/dbraw/zinc/39/74/43/343397443.db2.gz AIULLCUFHFFGCU-PWSUYJOCSA-N -1 0 246.266 1.218 50 0 BDAARM CC(C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cccnc1 ZINC000040162934 343397451 /nfs/dbraw/zinc/39/74/51/343397451.db2.gz AWUYFGAFMDHVRA-JQWIXIFHSA-N -1 0 248.282 1.464 50 0 biogenic BDAARM O=C([O-])c1cccnc1OCC1CCC1 ZINC000047476136 343562365 /nfs/dbraw/zinc/56/23/65/343562365.db2.gz ZASIICHRTDRSRK-UHFFFAOYSA-N -1 0 207.229 1.959 50 0 BDAARM Cc1cnc2nn(CCC(=O)[O-])cc2c1 ZINC000047476088 343562370 /nfs/dbraw/zinc/56/23/70/343562370.db2.gz SNBGDEQZDNBIGF-UHFFFAOYSA-N -1 0 205.217 1.214 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000047845116 343567195 /nfs/dbraw/zinc/56/71/95/343567195.db2.gz YVMHYDQOUZWQQA-SNVBAGLBSA-N -1 0 233.239 1.420 50 0 BDAARM COC(=O)C=C([O-])c1cnn(C(C)C)c1 ZINC000048623106 343584343 /nfs/dbraw/zinc/58/43/43/343584343.db2.gz UXGOBLVKVMSBFR-UHFFFAOYSA-N -1 0 210.233 1.210 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCCCCCC1 ZINC000006760963 349838015 /nfs/dbraw/zinc/83/80/15/349838015.db2.gz UZOXCZPEXYPXNF-MNOVXSKESA-N -1 0 239.315 1.936 50 0 BDAARM CCc1nc(-c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000061811258 343729339 /nfs/dbraw/zinc/72/93/39/343729339.db2.gz NXOMGTCNHIOPIH-UHFFFAOYSA-N -1 0 217.228 1.732 50 0 BDAARM Cc1cc(C)cc(NC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000000534673 346986878 /nfs/dbraw/zinc/98/68/78/346986878.db2.gz ZPDDKMKFNJPPPS-VIFPVBQESA-N -1 0 236.271 1.898 50 0 biogenic BDAARM CC(C)Cn1c(=O)c2nn(C)cc2[n-]c1=S ZINC000033268078 344308369 /nfs/dbraw/zinc/30/83/69/344308369.db2.gz HZJUFIQMCADTAJ-UHFFFAOYSA-N -1 0 238.316 1.075 50 0 BDAARM Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)[O-])C2 ZINC000005033547 344911848 /nfs/dbraw/zinc/91/18/48/344911848.db2.gz UMJVJYXBGIYAQJ-GFCCVEGCSA-N -1 0 220.224 1.551 50 0 BDAARM COC(=O)[C@@H](C)Sc1nc(C)c(C)c(=O)[nH]1 ZINC000005155257 344980468 /nfs/dbraw/zinc/98/04/68/344980468.db2.gz ZZEWBOZTEOMCFQ-SSDOTTSWSA-N -1 0 242.300 1.040 50 0 BDAARM Nc1c(C(=O)[O-])ccnc1C(F)(F)F ZINC000238651933 345100298 /nfs/dbraw/zinc/10/02/98/345100298.db2.gz AKHCRNAXCJTPQL-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)[O-] ZINC000002661417 178827799 /nfs/dbraw/zinc/82/77/99/178827799.db2.gz KRVIUQHVAZLPNU-UHFFFAOYSA-N -1 0 214.242 1.097 50 0 BDAARM Nc1nccc(C(=O)[O-])c1C(F)(F)F ZINC000238698472 345112386 /nfs/dbraw/zinc/11/23/86/345112386.db2.gz MBZGWQHSBVCVCE-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM O=C([O-])Cc1ccc(C(F)(F)F)[nH]c1=O ZINC000238689767 345112969 /nfs/dbraw/zinc/11/29/69/345112969.db2.gz XDXFFQOKQAANGC-UHFFFAOYSA-N -1 0 221.134 1.433 50 0 BDAARM COc1ccc(-n2cc(N)c(C(=O)[O-])n2)cc1 ZINC000142309768 345867399 /nfs/dbraw/zinc/86/73/99/345867399.db2.gz HYVQKYMBTLXQNX-UHFFFAOYSA-N -1 0 233.227 1.161 50 0 BDAARM CSc1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000069875 346403973 /nfs/dbraw/zinc/40/39/73/346403973.db2.gz GRTHEGPBJDWTID-AATRIKPKSA-N -1 0 237.280 1.988 50 0 BDAARM Nc1nc(N)nc(-c2cc(Cl)ccc2[O-])n1 ZINC000000389253 346415705 /nfs/dbraw/zinc/41/57/05/346415705.db2.gz NOWKBXMQKRTOCM-UHFFFAOYSA-N -1 0 237.650 1.062 50 0 in-vitro BDAARM O=C([O-])c1ccc(NC2=NCCC2=O)cc1 ZINC000002597815 346514488 /nfs/dbraw/zinc/51/44/88/346514488.db2.gz CEOJSQFMYIXULD-UHFFFAOYSA-N -1 0 218.212 1.168 50 0 BDAARM Cc1ccc(N(C)[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000004450715 346601359 /nfs/dbraw/zinc/60/13/59/346601359.db2.gz PVWJPRKNHLDJCE-SNVBAGLBSA-N -1 0 236.296 1.740 50 0 BDAARM Cc1ccc(F)cc1NC(=O)/C=C\C(=O)[O-] ZINC000004709425 346607490 /nfs/dbraw/zinc/60/74/90/346607490.db2.gz LZIKPFZVSVKRET-PLNGDYQASA-N -1 0 223.203 1.713 50 0 BDAARM Cc1cccc(NC(=O)CSCC(=O)[O-])c1 ZINC000000874286 179129684 /nfs/dbraw/zinc/12/96/84/179129684.db2.gz LNAMMVKVASNLLF-UHFFFAOYSA-N -1 0 239.296 1.751 50 0 BDAARM Cc1cccc2c1C[C@H](C(=O)[O-])OC2=O ZINC000012274239 179219103 /nfs/dbraw/zinc/21/91/03/179219103.db2.gz NRPNIJIOIDLUOY-SECBINFHSA-N -1 0 206.197 1.161 50 0 BDAARM CCOc1ccc(NC(=O)C(=O)[O-])cc1 ZINC000020030231 347517593 /nfs/dbraw/zinc/51/75/93/347517593.db2.gz SZROKZLPZKABFS-UHFFFAOYSA-N -1 0 209.201 1.108 50 0 BDAARM CCc1nc(-c2ccc(C(=O)[O-])s2)n(C)n1 ZINC000534637878 323157123 /nfs/dbraw/zinc/15/71/23/323157123.db2.gz WPKWMJQTDCKKKW-UHFFFAOYSA-N -1 0 237.284 1.804 50 0 BDAARM Cc1cccnc1NC(=O)CCC(=O)[O-] ZINC000000321590 179388206 /nfs/dbraw/zinc/38/82/06/179388206.db2.gz GVZPPQAPLNIQBF-UHFFFAOYSA-N -1 0 208.217 1.193 50 0 BDAARM Cc1ccn(-c2cccc(C(=O)[O-])c2)n1 ZINC000019414063 179399006 /nfs/dbraw/zinc/39/90/06/179399006.db2.gz QBACMXLJZHEMHC-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1ccc([C@@H](N)c2ocnc2C(=O)[O-])cc1 ZINC000616573383 349069537 /nfs/dbraw/zinc/06/95/37/349069537.db2.gz MOWZGTMPCRSTEU-SECBINFHSA-N -1 0 232.239 1.729 50 0 BDAARM CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)[O-] ZINC000299805656 538030578 /nfs/dbraw/zinc/03/05/78/538030578.db2.gz ZRKOZYSIEWQQQS-JGVFFNPUSA-N -1 0 245.275 1.001 50 0 BDAARM C/C=C/CN1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072172672 191004468 /nfs/dbraw/zinc/00/44/68/191004468.db2.gz HUJRUKVJCSXJEY-NSCUHMNNSA-N -1 0 249.314 1.292 50 0 BDAARM O=C1[N-]C(=O)/C(=C\c2cccc(Cl)c2)N1 ZINC000012341748 350090238 /nfs/dbraw/zinc/09/02/38/350090238.db2.gz GUYDWDPNOQVEJB-VMPITWQZSA-N -1 0 222.631 1.520 50 0 BDAARM Cc1nc(=S)[nH]c(C)c1CCC(=O)[O-] ZINC000004206973 180029105 /nfs/dbraw/zinc/02/91/05/180029105.db2.gz MCULFRXFRCFNQY-UHFFFAOYSA-N -1 0 212.274 1.399 50 0 BDAARM Cc1nc2cc3c(cc2n1CC(=O)[O-])OCCO3 ZINC000006678455 180086698 /nfs/dbraw/zinc/08/66/98/180086698.db2.gz ANUZRUJFMJRCDY-UHFFFAOYSA-N -1 0 248.238 1.201 50 0 BDAARM Cc1nc2ccccc2n1[C@H](C)C(=O)[O-] ZINC000004992667 180103231 /nfs/dbraw/zinc/10/32/31/180103231.db2.gz MZCOUPNAPANBEY-SSDOTTSWSA-N -1 0 204.229 1.990 50 0 BDAARM Cc1ncc(C(=O)[O-])n1-c1ccccc1 ZINC000071790280 180134641 /nfs/dbraw/zinc/13/46/41/180134641.db2.gz HNNQOUCTXKEOOY-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccn1 ZINC000000398303 350332507 /nfs/dbraw/zinc/33/25/07/350332507.db2.gz NAAOFYSESODFQG-NXEZZACHSA-N -1 0 246.266 1.687 50 0 BDAARM Cc1nn(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000001389148 180328865 /nfs/dbraw/zinc/32/88/65/180328865.db2.gz KCRVIJNGPBZBGH-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccccc1 ZINC000003128514 180359822 /nfs/dbraw/zinc/35/98/22/180359822.db2.gz SMNAOIDYHUQUDA-UHFFFAOYSA-N -1 0 231.255 1.686 50 0 BDAARM O=C([O-])c1cc(-c2ccccc2)nc2ncnn21 ZINC000012396889 350458246 /nfs/dbraw/zinc/45/82/46/350458246.db2.gz XRVJVEWTZFNILL-UHFFFAOYSA-N -1 0 240.222 1.490 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)C1CCCC1 ZINC000059881349 350495996 /nfs/dbraw/zinc/49/59/96/350495996.db2.gz WKWDHVRBKRDSJJ-UHFFFAOYSA-N -1 0 227.304 1.746 50 0 BDAARM Cc1nn(CCCC(=O)[O-])cc1Cl ZINC000020314471 180387105 /nfs/dbraw/zinc/38/71/05/180387105.db2.gz CAZRWTGBWCKXMI-UHFFFAOYSA-N -1 0 202.641 1.710 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000051603979 191112463 /nfs/dbraw/zinc/11/24/63/191112463.db2.gz QTEXNGJSKPHGAF-QMMMGPOBSA-N -1 0 237.230 1.653 50 0 BDAARM CC(=O)C=C([O-])c1ccc2c(c1)OCO2 ZINC000026513704 350877006 /nfs/dbraw/zinc/87/70/06/350877006.db2.gz FMKFSZUUHDNYCL-UHFFFAOYSA-N -1 0 206.197 1.577 50 0 BDAARM Cc1occc1C(=O)NC(C)(C)C(=O)[O-] ZINC000040909408 180537588 /nfs/dbraw/zinc/53/75/88/180537588.db2.gz VHORKPRZTWUSMR-UHFFFAOYSA-N -1 0 211.217 1.181 50 0 BDAARM Cn1cc(C(=O)[O-])c(=O)c2cc(F)cc(F)c21 ZINC000040162950 180635520 /nfs/dbraw/zinc/63/55/20/180635520.db2.gz STUPHRLIADPRPQ-UHFFFAOYSA-N -1 0 239.177 1.515 50 0 BDAARM CC(C)C[C@H](NC(=O)c1cccnc1)C(=O)[O-] ZINC000004811377 187586019 /nfs/dbraw/zinc/58/60/19/187586019.db2.gz IKBCYCIJCZFDFM-JTQLQIEISA-N -1 0 236.271 1.311 50 0 BDAARM O=C([O-])c1c(O)cc2ccccc2c1O ZINC000018193580 187588328 /nfs/dbraw/zinc/58/83/28/187588328.db2.gz USZZLTVYRPLBMB-UHFFFAOYSA-N -1 0 204.181 1.949 50 0 BDAARM CC(C)(C)/C=C/C(=O)N1CCC(C(=O)[O-])CC1 ZINC000236735452 187629431 /nfs/dbraw/zinc/62/94/31/187629431.db2.gz RARUAUFLBGMFCJ-QPJJXVBHSA-N -1 0 239.315 1.912 50 0 BDAARM O=C([O-])C12CC=CCC1(CO)CC=CC2 ZINC000045027892 187633926 /nfs/dbraw/zinc/63/39/26/187633926.db2.gz ZPRGLXYLYZKTSX-UHFFFAOYSA-N -1 0 208.257 1.736 50 0 BDAARM CN(c1ccccc1)[C@H]1SC(=O)[N-]C1=O ZINC000001317785 363145379 /nfs/dbraw/zinc/14/53/79/363145379.db2.gz HNFHTARURWZKBV-VIFPVBQESA-N -1 0 222.269 1.432 50 0 BDAARM CC(C)(COc1ccc(C=O)cc1)C(=O)[O-] ZINC000020377288 187662134 /nfs/dbraw/zinc/66/21/34/187662134.db2.gz QREIYDSWUKHOCO-UHFFFAOYSA-N -1 0 222.240 1.989 50 0 BDAARM COC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000019815778 363206374 /nfs/dbraw/zinc/20/63/74/363206374.db2.gz GOJLQSAREKTKPT-MRVPVSSYSA-N -1 0 209.201 1.168 50 0 BDAARM CC(C)COc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC000000050929 188272516 /nfs/dbraw/zinc/27/25/16/188272516.db2.gz UMLAJAIAPYSCJR-NSHDSACASA-N -1 0 248.282 1.602 50 0 biogenic BDAARM CC(=O)N[C@H](Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000000128332 188272659 /nfs/dbraw/zinc/27/26/59/188272659.db2.gz GVNSHLZYIVHHJW-GFCCVEGCSA-N -1 0 235.283 1.435 50 0 BDAARM CC(=O)N/C(=C\c1ccccc1Cl)C(=O)[O-] ZINC000004567153 188276927 /nfs/dbraw/zinc/27/69/27/188276927.db2.gz DRSFTYBSAQMDJP-POHAHGRESA-N -1 0 239.658 1.902 50 0 BDAARM CC(=O)N[C@H](Cc1ccccc1C)C(=O)[O-] ZINC000005748408 188277882 /nfs/dbraw/zinc/27/78/82/188277882.db2.gz LYWQZRDVHNINGB-LLVKDONJSA-N -1 0 221.256 1.127 50 0 BDAARM O=c1[nH]c(=S)[n-]c2cc(Cl)ccc12 ZINC000009940050 188278933 /nfs/dbraw/zinc/27/89/33/188278933.db2.gz YMBHKXMQFOLKKJ-UHFFFAOYSA-N -1 0 212.661 1.865 50 0 BDAARM COc1cccc(NC(=O)/C=C\C(=O)[O-])c1 ZINC000032625358 188284299 /nfs/dbraw/zinc/28/42/99/188284299.db2.gz CXOUTHKBZTXXAU-WAYWQWQTSA-N -1 0 221.212 1.275 50 0 BDAARM O=C([O-])c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000037429575 188287383 /nfs/dbraw/zinc/28/73/83/188287383.db2.gz PCYBGEKXCCDMAU-VIFPVBQESA-N -1 0 238.264 1.792 50 0 BDAARM Nc1cccc([C@@H]2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000057351128 188301397 /nfs/dbraw/zinc/30/13/97/188301397.db2.gz ZEMMOEMPUPFAGT-SCZZXKLOSA-N -1 0 219.240 1.416 50 0 BDAARM Nc1cccc([C@H]2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000057351127 188301797 /nfs/dbraw/zinc/30/17/97/188301797.db2.gz ZEMMOEMPUPFAGT-WCBMZHEXSA-N -1 0 219.240 1.416 50 0 BDAARM O=C([O-])c1nc2c(cc1Cl)OCCO2 ZINC000077011165 188310992 /nfs/dbraw/zinc/31/09/92/188310992.db2.gz HVTIGUBVZZWQGE-UHFFFAOYSA-N -1 0 215.592 1.204 50 0 BDAARM O=C([O-])CN1CCO[C@H](c2ccccc2F)C1 ZINC000238161123 188329285 /nfs/dbraw/zinc/32/92/85/188329285.db2.gz GAJCQLSXDZDDKG-NSHDSACASA-N -1 0 239.246 1.284 50 0 BDAARM CC(=C\c1ccccc1)/C=C1\NC(=S)NC1=O ZINC000004515068 188332616 /nfs/dbraw/zinc/33/26/16/188332616.db2.gz OPQKJTOYYQZONP-BGZVTZOUSA-N -1 0 244.319 1.978 50 0 BDAARM Cc1ccc(CC(=O)NCCC(=O)[O-])cc1 ZINC000000507025 188334904 /nfs/dbraw/zinc/33/49/04/188334904.db2.gz UDBCCNYHZQCAGO-UHFFFAOYSA-N -1 0 221.256 1.128 50 0 BDAARM CC(=O)N(C)c1c(F)cccc1C(=O)[O-] ZINC000020446170 188352642 /nfs/dbraw/zinc/35/26/42/188352642.db2.gz SPBXWJDPBCKFJW-UHFFFAOYSA-N -1 0 211.192 1.507 50 0 BDAARM COc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC000095763631 188364899 /nfs/dbraw/zinc/36/48/99/188364899.db2.gz RFXPVNUCYNQFSJ-UHFFFAOYSA-N -1 0 221.134 1.807 50 0 BDAARM C[C@H](ON=Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000002157779 363438578 /nfs/dbraw/zinc/43/85/78/363438578.db2.gz RIQFULUXUCSLCO-ZETCQYMHSA-N -1 0 238.199 1.418 50 0 BDAARM NC(=O)N[C@@H](CC(=O)[O-])c1ccccc1F ZINC000012896102 181260691 /nfs/dbraw/zinc/26/06/91/181260691.db2.gz SRWWGOPPQAFXKR-QMMMGPOBSA-N -1 0 226.207 1.010 50 0 BDAARM C[C@H](C(=O)c1ccccc1)S(=O)(=O)[O-] ZINC000006491544 356367631 /nfs/dbraw/zinc/36/76/31/356367631.db2.gz ZNRMUPFAFZPMDW-SSDOTTSWSA-N -1 0 214.242 1.146 50 0 BDAARM Nc1ccc(-c2cnc(C(=O)[O-])nc2)cc1 ZINC000675069278 538498699 /nfs/dbraw/zinc/49/86/99/538498699.db2.gz DWQJCDYYDZLWBS-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM CC(C)(C)OC(=O)N1CCC(S(=O)[O-])CC1 ZINC000223458033 538595015 /nfs/dbraw/zinc/59/50/15/538595015.db2.gz NCMYFUBDZACXAW-UHFFFAOYSA-N -1 0 249.332 1.608 50 0 BDAARM C[C@@H](C(=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096986476 538617643 /nfs/dbraw/zinc/61/76/43/538617643.db2.gz FRYFRZPDMHRDDH-RKDXNWHRSA-N -1 0 243.303 1.964 50 0 BDAARM COc1ccc(Cl)c([S@@](=O)[O-])c1 ZINC000205441872 538729496 /nfs/dbraw/zinc/72/94/96/538729496.db2.gz ZGGMZCMPOQUSIT-UHFFFAOYSA-N -1 0 206.650 1.929 50 0 BDAARM CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000033799937 357468088 /nfs/dbraw/zinc/46/80/88/357468088.db2.gz FNUJAQMRFKOBKB-UHFFFAOYSA-N -1 0 213.277 1.548 50 0 BDAARM CCO[P@](=O)([O-])c1ccccc1N ZINC000035822706 359738085 /nfs/dbraw/zinc/73/80/85/359738085.db2.gz RXVKQFAKRJGICV-UHFFFAOYSA-N -1 0 201.162 1.116 50 0 BDAARM CC[C@@H](C(=O)[O-])[S@@](=O)c1ccc(C)cc1 ZINC000040955443 360938277 /nfs/dbraw/zinc/93/82/77/360938277.db2.gz WHZFEMFXJCAZJS-ZUZCIYMTSA-N -1 0 226.297 1.966 50 0 BDAARM NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000005756821 181319444 /nfs/dbraw/zinc/31/94/44/181319444.db2.gz DQHMKUUXHZHRLI-UHFFFAOYSA-N -1 0 230.676 1.694 50 0 BDAARM CN(CCC(=O)[O-])C(=O)c1ocnc1C1CC1 ZINC000630136494 363966402 /nfs/dbraw/zinc/96/64/02/363966402.db2.gz BJPSDVWOXRCHCS-UHFFFAOYSA-N -1 0 238.243 1.099 50 0 BDAARM CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000037516613 364140897 /nfs/dbraw/zinc/14/08/97/364140897.db2.gz CEAFTXCGSLKSQD-WDEREUQCSA-N -1 0 233.267 1.760 50 0 BDAARM O=C([O-])c1cc(-n2ccnn2)ccc1F ZINC000146325187 368394152 /nfs/dbraw/zinc/39/41/52/368394152.db2.gz HAJKUXLKMPOBBR-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC000001683623 181690745 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CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000082164167 166666131 /nfs/dbraw/zinc/66/61/31/166666131.db2.gz JTMAFJQIPKPNFJ-NKWVEPMBSA-N -1 0 215.249 1.374 50 0 BDAARM O=C([O-])CNC(=O)c1ccccc1Cl ZINC000000039799 383818619 /nfs/dbraw/zinc/81/86/19/383818619.db2.gz GVHWTQYNZUNGIA-UHFFFAOYSA-N -1 0 213.620 1.154 50 0 in-vitro BDAARM O=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000000254469 383849099 /nfs/dbraw/zinc/84/90/99/383849099.db2.gz ZUUGBTJTGRTIFK-UHFFFAOYSA-N -1 0 203.197 1.538 50 0 biogenic BDAARM O=C([O-])Cc1ccc(C(F)(F)F)nc1 ZINC000035569948 383858106 /nfs/dbraw/zinc/85/81/06/383858106.db2.gz GONSDVSNRVDRPU-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM O=C([O-])COc1cccc2cccnc21 ZINC000000400088 383864618 /nfs/dbraw/zinc/86/46/18/383864618.db2.gz PNKYIZBUGAZUHQ-UHFFFAOYSA-N -1 0 203.197 1.698 50 0 BDAARM CC(C)[C@@H](NC(=O)c1ccccc1)c1nnn[n-]1 ZINC000068575449 384000044 /nfs/dbraw/zinc/00/00/44/384000044.db2.gz KOOWKGMZVBVLTH-SNVBAGLBSA-N -1 0 245.286 1.327 50 0 BDAARM 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O=C([O-])C[S@](=O)c1ccc(Cl)cc1 ZINC000005048899 384097489 /nfs/dbraw/zinc/09/74/89/384097489.db2.gz BGQBJZGWNGYNEP-CYBMUJFWSA-N -1 0 218.661 1.532 50 0 BDAARM CCCCS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000005821635 384132509 /nfs/dbraw/zinc/13/25/09/384132509.db2.gz ZBKOZGCANJUKEY-UHFFFAOYSA-N -1 0 242.296 1.959 50 0 BDAARM Cc1nc(C(=O)[O-])c(Br)o1 ZINC000040448507 384153947 /nfs/dbraw/zinc/15/39/47/384153947.db2.gz DYSCBFBGIQPIAS-UHFFFAOYSA-N -1 0 205.995 1.444 50 0 BDAARM CC[C@@H](C)[C@H](NC(=O)N1CCCCC1)C(=O)[O-] ZINC000005907342 384138286 /nfs/dbraw/zinc/13/82/86/384138286.db2.gz SWKZVMLAOSAPKN-ZJUUUORDSA-N -1 0 242.319 1.681 50 0 BDAARM O=C([O-])c1ccn(CCC(F)(F)F)n1 ZINC000070914219 384141384 /nfs/dbraw/zinc/14/13/84/384141384.db2.gz XMSUVTNRSBZIEM-UHFFFAOYSA-N -1 0 208.139 1.534 50 0 BDAARM CCN(CC)S(=O)(=O)c1ccccc1[O-] ZINC000071534116 384171071 /nfs/dbraw/zinc/17/10/71/384171071.db2.gz YIYRCKHBWBGFIA-UHFFFAOYSA-N -1 0 229.301 1.423 50 0 BDAARM CC(=O)c1c(O)cccc1OCC(=O)[O-] ZINC000071774367 384177505 /nfs/dbraw/zinc/17/75/05/384177505.db2.gz CBDFVLHWIRMRRX-UHFFFAOYSA-N -1 0 210.185 1.058 50 0 BDAARM COc1cc(F)c(F)cc1CCC(=O)[O-] ZINC000071867267 384184082 /nfs/dbraw/zinc/18/40/82/384184082.db2.gz WDTSALDVVUTTSK-UHFFFAOYSA-N -1 0 216.183 1.991 50 0 BDAARM CO[C@H](C)c1nc(CC(=O)[O-])cs1 ZINC000072312205 384205345 /nfs/dbraw/zinc/20/53/45/384205345.db2.gz OMGMGPBSOPZPML-RXMQYKEDSA-N -1 0 201.247 1.478 50 0 BDAARM O=C([O-])CNc1cccc(Br)c1 ZINC000008702687 384208969 /nfs/dbraw/zinc/20/89/69/384208969.db2.gz OXCSUXIQYMOULR-UHFFFAOYSA-N -1 0 230.061 1.946 50 0 BDAARM Cc1n[n-]c(Nc2ccccc2)nc1=O ZINC000008738922 384214682 /nfs/dbraw/zinc/21/46/82/384214682.db2.gz LXGRFUNPYMOOEB-UHFFFAOYSA-N -1 0 202.217 1.217 50 0 BDAARM O=C([O-])CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000257329301 384228501 /nfs/dbraw/zinc/22/85/01/384228501.db2.gz XJGYHXUKSXKYFJ-LBPRGKRZSA-N -1 0 235.283 1.015 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc2cc[nH]c2c1 ZINC000022863923 384251652 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BDAARM O=C([O-])CCOCC(F)(F)C(F)(F)F ZINC000097053687 384491148 /nfs/dbraw/zinc/49/11/48/384491148.db2.gz RMCHFHGQTSDRRE-UHFFFAOYSA-N -1 0 222.109 1.675 50 0 BDAARM [O-]c1cn(-c2ccccc2)nc1C(F)(F)F ZINC000100048476 384612318 /nfs/dbraw/zinc/61/23/18/384612318.db2.gz PVLOSTODYWSCAL-UHFFFAOYSA-N -1 0 228.173 1.994 50 0 BDAARM O=C([O-])Cc1cc[nH]c(=O)c1Br ZINC000098096494 384594071 /nfs/dbraw/zinc/59/40/71/384594071.db2.gz AHPSNPBGNZTQHN-UHFFFAOYSA-N -1 0 232.033 1.177 50 0 BDAARM Cc1ccc(-n2[nH]cc(C(=O)[O-])c2=O)c(C)c1 ZINC000100489094 384644979 /nfs/dbraw/zinc/64/49/79/384644979.db2.gz ONBBGDGACSZOOB-SECBINFHSA-N -1 0 232.239 1.337 50 0 BDAARM Cc1cc(C(=O)[N-]c2nncs2)on1 ZINC000021214753 384655068 /nfs/dbraw/zinc/65/50/68/384655068.db2.gz GHCJUFUJOQYQOF-UHFFFAOYSA-N -1 0 210.218 1.087 50 0 BDAARM CO[C@H]1CCN(c2ccc(C(=O)[O-])cc2)C1 ZINC000143160337 384717904 /nfs/dbraw/zinc/71/79/04/384717904.db2.gz JNFDUAIWZYGOSH-NSHDSACASA-N -1 0 221.256 1.610 50 0 BDAARM O=C([O-])CCc1ccc2c(c1)OCCCO2 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/nfs/dbraw/zinc/21/70/26/178217026.db2.gz JNRHSEFHDNBECX-UHFFFAOYSA-N -1 0 245.300 1.357 50 0 BDAARM Cc1ccc([C@@H](O)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000170598004 361775337 /nfs/dbraw/zinc/77/53/37/361775337.db2.gz UORJSGANYOWVEB-XCBNKYQSSA-N -1 0 239.227 1.657 50 0 BDAARM Cc1cc2c(ncnc2NCC(=O)[O-])s1 ZINC000004243190 178279586 /nfs/dbraw/zinc/27/95/86/178279586.db2.gz BEUSESLRQQGRGW-UHFFFAOYSA-N -1 0 223.257 1.496 50 0 BDAARM Cc1cc2cc(OCC(=O)[O-])ccc2n1C ZINC000000873815 178295975 /nfs/dbraw/zinc/29/59/75/178295975.db2.gz REAUDJIOJPUNBG-UHFFFAOYSA-N -1 0 219.240 1.950 50 0 BDAARM Cc1ccc(-c2ccn(CC(=O)[O-])n2)cc1 ZINC000002567210 178327460 /nfs/dbraw/zinc/32/74/60/178327460.db2.gz JVTYKOFIZWQPAR-UHFFFAOYSA-N -1 0 216.240 1.943 50 0 BDAARM Cc1ccc(-n2cc(CCO)c(C(=O)[O-])n2)cc1 ZINC000032627165 178346140 /nfs/dbraw/zinc/34/61/40/178346140.db2.gz XYLVDONHTPDNSH-UHFFFAOYSA-N -1 0 246.266 1.414 50 0 BDAARM Cc1ccc(-n2cc(C(=O)[O-])nn2)c(C)c1 ZINC000020216583 178346483 /nfs/dbraw/zinc/34/64/83/178346483.db2.gz NTFDWLPNIVYEEB-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1ccc(-n2cnc(=O)[n-]2)cc1Cl ZINC000169217519 178347439 /nfs/dbraw/zinc/34/74/39/178347439.db2.gz TYFNWXRXEDBIRH-UHFFFAOYSA-N -1 0 209.636 1.935 50 0 BDAARM Cc1ccc(-n2nnc(C(=O)[O-])c2N)cc1C ZINC000019894120 178349313 /nfs/dbraw/zinc/34/93/13/178349313.db2.gz RKHGLCQJNSSINC-UHFFFAOYSA-N -1 0 232.243 1.165 50 0 BDAARM CC(C)C([O-])=C1C(=O)CC(C)(C)CC1=O ZINC000138706300 538948565 /nfs/dbraw/zinc/94/85/65/538948565.db2.gz LMAJWYLSIJKMLA-UHFFFAOYSA-N -1 0 210.273 1.786 50 0 BDAARM Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1 ZINC000002487495 178385855 /nfs/dbraw/zinc/38/58/55/178385855.db2.gz RNCDNDUTGFYJQM-SECBINFHSA-N -1 0 237.255 1.667 50 0 BDAARM Cc1ccc2c(c1)c(=O)c(C(=O)[O-])cn2C ZINC000000117364 342675353 /nfs/dbraw/zinc/67/53/53/342675353.db2.gz BRENAYCUDGIHED-UHFFFAOYSA-N -1 0 217.224 1.545 50 0 biogenic BDAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])COC1(C)C ZINC000000159349 342678088 /nfs/dbraw/zinc/67/80/88/342678088.db2.gz XUYBSTJQGVZMSK-ZETCQYMHSA-N -1 0 245.275 1.443 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000000161828 342678263 /nfs/dbraw/zinc/67/82/63/342678263.db2.gz IYAFJFDPMVQTJO-SECBINFHSA-N -1 0 237.230 1.259 50 0 BDAARM Cn1[n-]c(=O)c2cnc3c(F)cc(F)cc3c21 ZINC000000166587 342678655 /nfs/dbraw/zinc/67/86/55/342678655.db2.gz ARGCSXHKQVOKIK-UHFFFAOYSA-N -1 0 235.193 1.693 50 0 BDAARM CCOc1c([S-])cnn(-c2ccccc2)c1=O ZINC000000218106 342680351 /nfs/dbraw/zinc/68/03/51/342680351.db2.gz FTEDVERZAAIDFU-UHFFFAOYSA-N -1 0 248.307 1.920 50 0 BDAARM CC(C)n1nc(CC(=O)[O-])c2ccccc2c1=O ZINC000000295536 342682621 /nfs/dbraw/zinc/68/26/21/342682621.db2.gz LBVITQCHGOFTGO-UHFFFAOYSA-N -1 0 246.266 1.605 50 0 biogenic BDAARM O=C([O-])c1ccc(I)nc1 ZINC000000334407 342683640 /nfs/dbraw/zinc/68/36/40/342683640.db2.gz PCGJGRDGMJRQAJ-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCCCC1 ZINC000000340615 342684086 /nfs/dbraw/zinc/68/40/86/342684086.db2.gz HNJPLFABNAMDGK-MNOVXSKESA-N -1 0 239.315 1.890 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)O[C@H]1c1ccccc1 ZINC000000345570 342684380 /nfs/dbraw/zinc/68/43/80/342684380.db2.gz LRMTVZBRYDTDCU-SCZZXKLOSA-N -1 0 206.197 1.375 50 0 BDAARM CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000000385863 342685694 /nfs/dbraw/zinc/68/56/94/342685694.db2.gz DNFKGLNWEMSSES-UHFFFAOYSA-N -1 0 247.341 1.599 50 0 BDAARM COC(=O)CSc1n[n-]c(=S)s1 ZINC000002346179 342718841 /nfs/dbraw/zinc/71/88/41/342718841.db2.gz NBWYIYZKINGBAC-UHFFFAOYSA-N -1 0 222.316 1.092 50 0 BDAARM CC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1 ZINC000001672402 342708112 /nfs/dbraw/zinc/70/81/12/342708112.db2.gz BYHBHNKBISXCEP-QPJJXVBHSA-N -1 0 206.197 1.710 50 0 biogenic,in-vitro BDAARM O=S(=O)([O-])c1ccc2cccc(O)c2n1 ZINC000001926655 342713763 /nfs/dbraw/zinc/71/37/63/342713763.db2.gz QLJOSEUOQHDGTQ-UHFFFAOYSA-N -1 0 225.225 1.187 50 0 BDAARM O=C([O-])[C@H]1CC(=O)c2cc(F)ccc2O1 ZINC000002243253 342717362 /nfs/dbraw/zinc/71/73/62/342717362.db2.gz BWXXHZKFLLLJQP-SECBINFHSA-N -1 0 210.160 1.244 50 0 in-vitro BDAARM O=C([O-])c1ccc2ncc(Br)n2c1 ZINC000004024821 342741124 /nfs/dbraw/zinc/74/11/24/342741124.db2.gz VLYJTINXFYEGOO-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM O=C([O-])c1cnc(Br)s1 ZINC000004198768 342743586 /nfs/dbraw/zinc/74/35/86/342743586.db2.gz BESGTWHUMYHYEQ-UHFFFAOYSA-N -1 0 208.036 1.604 50 0 BDAARM COC(=O)CCc1ccc(/C=C/C(=O)[O-])o1 ZINC000004218638 342744558 /nfs/dbraw/zinc/74/45/58/342744558.db2.gz NUIRXLALQFEKIS-GQCTYLIASA-N -1 0 224.212 1.483 50 0 BDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000004242007 342745231 /nfs/dbraw/zinc/74/52/31/342745231.db2.gz QFVJNEASAAJIDF-ZETCQYMHSA-N -1 0 215.249 1.374 50 0 BDAARM CCCn1cc(Br)c(C(=O)[O-])n1 ZINC000002537965 342723348 /nfs/dbraw/zinc/72/33/48/342723348.db2.gz RFMCJKRXTIQOKS-UHFFFAOYSA-N -1 0 233.065 1.754 50 0 BDAARM COc1cc(CC(=O)[O-])ccc1OC(C)=O ZINC000000058189 344001959 /nfs/dbraw/zinc/00/19/59/344001959.db2.gz QLJMBAXRCXCSGZ-UHFFFAOYSA-N -1 0 224.212 1.248 50 0 biogenic,in-vitro BDAARM CC(=O)Oc1cccc(/C=C\C(=O)[O-])c1 ZINC000004578055 342749388 /nfs/dbraw/zinc/74/93/88/342749388.db2.gz LSZKRNUEKNCZIE-WAYWQWQTSA-N -1 0 206.197 1.710 50 0 BDAARM O=C([O-])c1cccc(-c2ncccn2)c1 ZINC000002563826 342724168 /nfs/dbraw/zinc/72/41/68/342724168.db2.gz KLTNGIZIUGYITR-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM Cc1ccnn1CCSCC(=O)[O-] ZINC000002578350 342725607 /nfs/dbraw/zinc/72/56/07/342725607.db2.gz RYTBKHKAUWOJPK-UHFFFAOYSA-N -1 0 200.263 1.009 50 0 BDAARM Cc1ccc2occ(C(=O)[O-])c(=O)c2c1 ZINC000002583687 342725781 /nfs/dbraw/zinc/72/57/81/342725781.db2.gz QCLPFMIJXRWBNI-UHFFFAOYSA-N -1 0 204.181 1.800 50 0 BDAARM O=C([O-])[C@H]1CCCN1c1ccc(Cl)nn1 ZINC000004778723 342752068 /nfs/dbraw/zinc/75/20/68/342752068.db2.gz GRMDAHGBUDZQMP-ZCFIWIBFSA-N -1 0 227.651 1.183 50 0 BDAARM Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)[O-] ZINC000008690266 342802078 /nfs/dbraw/zinc/80/20/78/342802078.db2.gz QOKBZTDZIZMTMS-UHFFFAOYSA-N -1 0 226.232 1.251 50 0 BDAARM Cc1nc(Cc2n[n-]c(=S)o2)cs1 ZINC000007157510 342789354 /nfs/dbraw/zinc/78/93/54/342789354.db2.gz YFTYXTRGMJHWGD-UHFFFAOYSA-N -1 0 213.287 1.714 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000009246004 342811340 /nfs/dbraw/zinc/81/13/40/342811340.db2.gz FSLHDGFWLYQYCX-VIFPVBQESA-N -1 0 237.230 1.259 50 0 BDAARM CC[C@@H](Sc1nccn1C)C(=O)[O-] ZINC000010382581 342835965 /nfs/dbraw/zinc/83/59/65/342835965.db2.gz UQPJZFOMRSFFCO-ZCFIWIBFSA-N -1 0 200.263 1.375 50 0 BDAARM CC(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000011891221 342844352 /nfs/dbraw/zinc/84/43/52/342844352.db2.gz KXYNKCSURBGGRR-VIFPVBQESA-N -1 0 213.277 1.356 50 0 BDAARM O=c1[nH]nc(-c2ccc(Cl)cc2)cc1[O-] ZINC000012341446 342849273 /nfs/dbraw/zinc/84/92/73/342849273.db2.gz TUBNNPCYSWXMBQ-UHFFFAOYSA-N -1 0 222.631 1.796 50 0 BDAARM COc1c(F)cc(F)c(C(=O)[O-])c1F ZINC000012359229 342849902 /nfs/dbraw/zinc/84/99/02/342849902.db2.gz HBJGDRQQDGUBGN-UHFFFAOYSA-N -1 0 206.119 1.811 50 0 BDAARM COc1ccc([C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC000012398978 342851357 /nfs/dbraw/zinc/85/13/57/342851357.db2.gz ICBZRFUYAIZNTN-SNVBAGLBSA-N -1 0 221.212 1.597 50 0 BDAARM CC[C@@H](C)[C@H](C(=O)[O-])n1cccc1C=O ZINC000012404610 342851563 /nfs/dbraw/zinc/85/15/63/342851563.db2.gz ZRGWPEFIQVEQTO-PSASIEDQSA-N -1 0 209.245 1.972 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1cccc(C)c1 ZINC000011888124 342843998 /nfs/dbraw/zinc/84/39/98/342843998.db2.gz SSCORHMFMNFQEP-UHFFFAOYSA-N -1 0 231.255 1.836 50 0 BDAARM CC(C)CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000011889788 342844069 /nfs/dbraw/zinc/84/40/69/342844069.db2.gz OPJHQXJQYXRMGN-SECBINFHSA-N -1 0 201.266 1.258 50 0 biogenic,in-vitro BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3cc[nH]c3c2)C1 ZINC000013577476 342867924 /nfs/dbraw/zinc/86/79/24/342867924.db2.gz KYDHSFNGKIUPDF-VIFPVBQESA-N -1 0 244.250 1.605 50 0 BDAARM O=c1c2ccccc2[n-]c([O-])c1-[n+]1ccccc1 ZINC000013638779 342869079 /nfs/dbraw/zinc/86/90/79/342869079.db2.gz LSTBESQBKXXJNB-UHFFFAOYSA-O -1 0 239.254 1.510 50 0 BDAARM O=C([O-])c1cn(CCc2ccccc2)nn1 ZINC000013998005 342875641 /nfs/dbraw/zinc/87/56/41/342875641.db2.gz UQCHTAKSQAIGOH-UHFFFAOYSA-N -1 0 217.228 1.219 50 0 BDAARM CC(C)(C)OC(=O)N1CCC(F)(C(=O)[O-])CC1 ZINC000014984838 342890184 /nfs/dbraw/zinc/89/01/84/342890184.db2.gz NRQOTEPIFSRDMH-UHFFFAOYSA-N -1 0 247.266 1.810 50 0 BDAARM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000019434966 342948725 /nfs/dbraw/zinc/94/87/25/342948725.db2.gz COHIMMPWCAHSFN-JGVFFNPUSA-N -1 0 245.275 1.095 50 0 BDAARM O=C([O-])c1cccnc1NCc1ccco1 ZINC000019770003 342956610 /nfs/dbraw/zinc/95/66/10/342956610.db2.gz IQHMQGUDRIPWGH-UHFFFAOYSA-N -1 0 218.212 1.985 50 0 BDAARM O=C([O-])c1nc(-c2ccc(F)cc2)no1 ZINC000020269055 342979338 /nfs/dbraw/zinc/97/93/38/342979338.db2.gz GEJDGJSXCYEQQY-UHFFFAOYSA-N -1 0 208.148 1.574 50 0 BDAARM O=C([O-])c1ccnc(OC2CCOCC2)c1 ZINC000020357734 342983135 /nfs/dbraw/zinc/98/31/35/342983135.db2.gz JVKDIDPAEBELMS-UHFFFAOYSA-N -1 0 223.228 1.338 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000022143909 343042321 /nfs/dbraw/zinc/04/23/21/343042321.db2.gz RQLIRNHFEYPHIB-VIFPVBQESA-N -1 0 235.239 1.081 50 0 BDAARM O=C([O-])c1c(C(F)F)nc2cnccn21 ZINC000575602319 343079825 /nfs/dbraw/zinc/07/98/25/343079825.db2.gz YJWNCOFFWUJILL-UHFFFAOYSA-N -1 0 213.143 1.365 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032013568 343227983 /nfs/dbraw/zinc/22/79/83/343227983.db2.gz UAAGUSBYBOKQCT-BDAKNGLRSA-N -1 0 220.224 1.646 50 0 BDAARM O=C([O-])[C@@H](O)Cc1c(F)cccc1Cl ZINC000032013366 343228053 /nfs/dbraw/zinc/22/80/53/343228053.db2.gz ZNDHYXRNPRMLHH-QMMMGPOBSA-N -1 0 218.611 1.467 50 0 BDAARM O=C([O-])c1cnc(Cl)nc1C(F)(F)F ZINC000034505494 343273462 /nfs/dbraw/zinc/27/34/62/343273462.db2.gz MAIWNYOADJRNOB-UHFFFAOYSA-N -1 0 226.541 1.847 50 0 BDAARM Cc1nc(CCC(=O)[O-])n(-c2ccccc2)n1 ZINC000034927209 343280828 /nfs/dbraw/zinc/28/08/28/343280828.db2.gz QCZWDCOKZVFUKF-UHFFFAOYSA-N -1 0 231.255 1.593 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)C1CCCCC1 ZINC000036966812 343328634 /nfs/dbraw/zinc/32/86/34/343328634.db2.gz RDQVGLDLIKZCOJ-MRVPVSSYSA-N -1 0 213.277 1.546 50 0 BDAARM CCOC(=O)C1=C([O-])c2cnc(C)cc2C1 ZINC000038917602 343380072 /nfs/dbraw/zinc/38/00/72/343380072.db2.gz ZFKCLYRGGDRTAW-SECBINFHSA-N -1 0 219.240 1.308 50 0 BDAARM Nc1ccc(OCC(F)(F)F)c(C(=O)[O-])c1 ZINC000037289702 343343161 /nfs/dbraw/zinc/34/31/61/343343161.db2.gz JIRYDRCXMNZPNQ-UHFFFAOYSA-N -1 0 235.161 1.908 50 0 BDAARM O=C1[N-]C(=O)N(c2ccc(Cl)c(F)c2)C1=O ZINC000042581673 343444343 /nfs/dbraw/zinc/44/43/43/343444343.db2.gz RFYLHOIPLWMXEJ-UHFFFAOYSA-N -1 0 242.593 1.902 50 0 BDAARM N#CC1=C([O-])C(=O)N(Cc2ccccc2)C1 ZINC000001023902 537827454 /nfs/dbraw/zinc/82/74/54/537827454.db2.gz BABWOOIDCZTSMV-UHFFFAOYSA-N -1 0 214.224 1.364 50 0 BDAARM COc1ccc(Nc2nc([O-])cc(=O)[nH]2)cc1 ZINC000005720517 347033499 /nfs/dbraw/zinc/03/34/99/347033499.db2.gz MPQXRHXKHXECFP-UHFFFAOYSA-N -1 0 233.227 1.350 50 0 BDAARM CC(C)(C)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC000150120934 344385212 /nfs/dbraw/zinc/38/52/12/344385212.db2.gz NWCJEGQLVCKYES-UHFFFAOYSA-N -1 0 223.228 1.735 50 0 BDAARM Cc1ccoc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000000216822 344644501 /nfs/dbraw/zinc/64/45/01/344644501.db2.gz FWOGBNQBGXLBMH-VIFPVBQESA-N -1 0 237.255 1.667 50 0 BDAARM COC(=O)[C@H](C)OC(=O)c1ccc(O)cc1 ZINC000000315259 344693094 /nfs/dbraw/zinc/69/30/94/344693094.db2.gz HZNUOUGBKBFZGN-ZETCQYMHSA-N -1 0 224.212 1.111 50 0 BDAARM Cc1ccc(CNc2nc(=O)cn[n-]2)cc1 ZINC000005009526 344898494 /nfs/dbraw/zinc/89/84/94/344898494.db2.gz YTNDEKQUPMDJKA-UHFFFAOYSA-N -1 0 216.244 1.085 50 0 BDAARM Cc1occc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095961824 537874789 /nfs/dbraw/zinc/87/47/89/537874789.db2.gz CMXSXPSQPVDFBT-RKDXNWHRSA-N -1 0 237.255 1.571 50 0 BDAARM O=C([O-])c1cc(F)ncc1C(F)(F)F ZINC000238649825 345099608 /nfs/dbraw/zinc/09/96/08/345099608.db2.gz BDDFVXARBRBJDB-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM CCOCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000078680031 345877310 /nfs/dbraw/zinc/87/73/10/345877310.db2.gz SFKBSHLRLKFMHB-MRVPVSSYSA-N -1 0 247.291 1.391 50 0 BDAARM Cc1c(CC(=O)[O-])nnn1-c1cccc(C)c1 ZINC000011888025 179002452 /nfs/dbraw/zinc/00/24/52/179002452.db2.gz ADULPYHUTGIHQU-UHFFFAOYSA-N -1 0 231.255 1.511 50 0 BDAARM Cc1cccc(CC(=O)N[C@@H](C)CCC(=O)[O-])c1 ZINC000070309731 179052181 /nfs/dbraw/zinc/05/21/81/179052181.db2.gz LQINVBHJJQVBKH-NSHDSACASA-N -1 0 249.310 1.907 50 0 BDAARM Cc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1C ZINC000000035035 179123662 /nfs/dbraw/zinc/12/36/62/179123662.db2.gz OPPJYODZNFUYTP-SNVBAGLBSA-N -1 0 233.267 1.741 50 0 BDAARM Cc1cccc(Nc2nc(=O)c(C)n[n-]2)c1C ZINC000008738164 179158612 /nfs/dbraw/zinc/15/86/12/179158612.db2.gz YTULNYORLPOLFD-UHFFFAOYSA-N -1 0 230.271 1.834 50 0 BDAARM CC[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000015997053 347140193 /nfs/dbraw/zinc/14/01/93/347140193.db2.gz AHZMCJBRKVTAMV-HTQZYQBOSA-N -1 0 216.281 1.193 50 0 BDAARM Cc1ccccc1-n1[n-]c(=O)ccc1=O ZINC000001022131 179242168 /nfs/dbraw/zinc/24/21/68/179242168.db2.gz UZVFLTARHBHFPT-UHFFFAOYSA-N -1 0 202.213 1.247 50 0 BDAARM Cc1ccccc1CNC(=O)/C=C\C(=O)[O-] ZINC000006174249 179276746 /nfs/dbraw/zinc/27/67/46/179276746.db2.gz BKKZQNWPXQGNMN-SREVYHEPSA-N -1 0 219.240 1.252 50 0 BDAARM Cc1ccccc1[C@@H]1CN([C@@H](C)C(=O)[O-])CCO1 ZINC000237511301 179329968 /nfs/dbraw/zinc/32/99/68/179329968.db2.gz SZWKQYVKIWOBTQ-AAEUAGOBSA-N -1 0 249.310 1.841 50 0 BDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000195542088 179330533 /nfs/dbraw/zinc/33/05/33/179330533.db2.gz IZGSDCFQMCYZJP-DLOVCJGASA-N -1 0 247.294 1.688 50 0 BDAARM Cc1nc(C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC000001401310 179892445 /nfs/dbraw/zinc/89/24/45/179892445.db2.gz BVBOJSLEUHHRNY-UHFFFAOYSA-N -1 0 237.646 1.927 50 0 BDAARM CCCc1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC000008471601 168604423 /nfs/dbraw/zinc/60/44/23/168604423.db2.gz PJYVZCQMJNAHEH-UHFFFAOYSA-N -1 0 232.287 1.986 50 0 BDAARM Cc1nc2sc(C(=O)[O-])c(N)c2c(C)n1 ZINC000012505576 179920700 /nfs/dbraw/zinc/92/07/00/179920700.db2.gz YJCJUTDJTHKSJL-UHFFFAOYSA-N -1 0 223.257 1.589 50 0 BDAARM O=C([O-])C1(C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000090993987 191002771 /nfs/dbraw/zinc/00/27/71/191002771.db2.gz SFRPBYGGUWUOHJ-SNVBAGLBSA-N -1 0 245.278 1.307 50 0 BDAARM CC(=O)c1ccc(C(F)(F)C(=O)[O-])n1C ZINC000083255150 191007018 /nfs/dbraw/zinc/00/70/18/191007018.db2.gz PDVMWMNGLMCODY-UHFFFAOYSA-N -1 0 217.171 1.404 50 0 BDAARM Cc1nc(SCCC(=O)[O-])oc1C ZINC000051449962 180030701 /nfs/dbraw/zinc/03/07/01/180030701.db2.gz NIAHNJWALRMITM-UHFFFAOYSA-N -1 0 201.247 1.858 50 0 BDAARM Cc1nc2cc(C(=O)[O-])ccc2n1CCO ZINC000000176851 180076111 /nfs/dbraw/zinc/07/61/11/180076111.db2.gz PLZYWTUVQMJZHL-UHFFFAOYSA-N -1 0 220.228 1.035 50 0 BDAARM Cc1nn(-c2ccccc2)nc1C(=O)[O-] ZINC000000158827 180330836 /nfs/dbraw/zinc/33/08/36/180330836.db2.gz GQYQHAGPALBYDO-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1nn(C)c(Oc2cccnc2)c1C(=O)[O-] ZINC000036904274 180361001 /nfs/dbraw/zinc/36/10/01/180361001.db2.gz UCADPYGTXRQUBE-UHFFFAOYSA-N -1 0 233.227 1.614 50 0 BDAARM Cc1nn([C@@H](C)C(=O)[O-])cc1Br ZINC000002732095 180392425 /nfs/dbraw/zinc/39/24/25/180392425.db2.gz QLKVMBIXWIDBLA-YFKPBYRVSA-N -1 0 233.065 1.600 50 0 BDAARM Cc1nn([C@@H](C)C(=O)[O-])c(C)c1Br ZINC000002731927 180392436 /nfs/dbraw/zinc/39/24/36/180392436.db2.gz PQWOGJIMXLPNMR-LURJTMIESA-N -1 0 247.092 1.908 50 0 BDAARM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[O-] ZINC000068955009 180385829 /nfs/dbraw/zinc/38/58/29/180385829.db2.gz UCFGWZYLWDZPDR-UHFFFAOYSA-N -1 0 236.193 1.689 50 0 BDAARM Cc1nn(CSCC(=O)[O-])c(C)c1Cl ZINC000002537827 180389741 /nfs/dbraw/zinc/38/97/41/180389741.db2.gz KLEFKPOMCOXBCL-UHFFFAOYSA-N -1 0 234.708 1.929 50 0 BDAARM Cc1nnc(C)n1-c1ccccc1OCC(=O)[O-] ZINC000019927123 180399893 /nfs/dbraw/zinc/39/98/93/180399893.db2.gz WJEXRMNIYGGDDG-UHFFFAOYSA-N -1 0 247.254 1.348 50 0 BDAARM Cc1occc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000036924496 180537625 /nfs/dbraw/zinc/53/76/25/180537625.db2.gz ASZUZBCUWWZMGX-UHFFFAOYSA-N -1 0 237.255 1.715 50 0 BDAARM COc1ccc(O[P@](C)(=O)[O-])cc1 ZINC000002880459 187585102 /nfs/dbraw/zinc/58/51/02/187585102.db2.gz JZTNMAIMTWUYTP-UHFFFAOYSA-N -1 0 202.146 1.889 50 0 BDAARM O=C([O-])c1nc(Br)n2ccccc12 ZINC000040448949 187601340 /nfs/dbraw/zinc/60/13/40/187601340.db2.gz VPWMZWDPDKBVGR-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cccnc1 ZINC000040162931 187601390 /nfs/dbraw/zinc/60/13/90/187601390.db2.gz AWUYFGAFMDHVRA-ZYHUDNBSSA-N -1 0 248.282 1.464 50 0 biogenic BDAARM CCCCC[C@H]1C[C@@H](CC(=O)[O-])C(=O)O1 ZINC000002090517 363103392 /nfs/dbraw/zinc/10/33/92/363103392.db2.gz PTYWKTSUOWGNCD-IUCAKERBSA-N -1 0 214.261 1.973 50 0 biogenic BDAARM O=C([O-])c1[nH]c(=S)nc2ccccc21 ZINC000074941614 187615766 /nfs/dbraw/zinc/61/57/66/187615766.db2.gz OKNLBNNLIXPTKU-UHFFFAOYSA-N -1 0 206.226 1.991 50 0 BDAARM CC(C)Cn1cc([C@H]2C[C@@H]2C(=O)[O-])cn1 ZINC000096509121 187628378 /nfs/dbraw/zinc/62/83/78/187628378.db2.gz IOIRLXQTYQZJQA-ZJUUUORDSA-N -1 0 208.261 1.727 50 0 BDAARM CSCC[C@H](NC(=O)NCC(C)C)C(=O)[O-] ZINC000002106501 363151680 /nfs/dbraw/zinc/15/16/80/363151680.db2.gz VVPKYLBVFRTCBT-QMMMGPOBSA-N -1 0 248.348 1.148 50 0 biogenic BDAARM Cc1nc(Cl)cc(N2CCC[C@H]2C(=O)[O-])n1 ZINC000001269842 353119918 /nfs/dbraw/zinc/11/99/18/353119918.db2.gz UUUVMDDPARXAOG-ZETCQYMHSA-N -1 0 241.678 1.492 50 0 BDAARM C/C=C(\C)C(=O)N(CCC(=O)[O-])C(C)C ZINC000222161948 188254110 /nfs/dbraw/zinc/25/41/10/188254110.db2.gz PAXJPMWRODRQHA-WEVVVXLNSA-N -1 0 213.277 1.664 50 0 BDAARM COc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000037517404 188255070 /nfs/dbraw/zinc/25/50/70/188255070.db2.gz FNGYZRSNAHPDCP-QWRGUYRKSA-N -1 0 249.266 1.032 50 0 BDAARM O=C([O-])C(CCc1ccccc1)C(=O)[O-] ZINC000005682547 188277323 /nfs/dbraw/zinc/27/73/23/188277323.db2.gz IUZIGXNXWJEZLU-UHFFFAOYSA-N -1 0 208.213 1.405 50 0 BDAARM O=C1NC(=S)NC1=Cc1cccs1 ZINC000005263586 188277485 /nfs/dbraw/zinc/27/74/85/188277485.db2.gz BHMMWVDJRGROOU-XQRVVYSFSA-N -1 0 210.283 1.093 50 0 BDAARM C=C1c2ccccc2C(=O)N1CCC(=O)[O-] ZINC000009646662 188278819 /nfs/dbraw/zinc/27/88/19/188278819.db2.gz ZANURYXAIPKNMP-UHFFFAOYSA-N -1 0 217.224 1.588 50 0 BDAARM CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000036533503 188286314 /nfs/dbraw/zinc/28/63/14/188286314.db2.gz IGJIQZVMCRTQQX-QMMMGPOBSA-N -1 0 231.292 1.868 50 0 BDAARM CC1(C)S[C@@H](c2ccncc2)N[C@@H]1C(=O)[O-] ZINC000075272556 188289139 /nfs/dbraw/zinc/28/91/39/188289139.db2.gz CULRMXDEHPITBT-BDAKNGLRSA-N -1 0 238.312 1.648 50 0 BDAARM O=C([O-])c1nc(C(F)(F)F)ccc1F ZINC000047218645 188297478 /nfs/dbraw/zinc/29/74/78/188297478.db2.gz SVXHKNUBOYNCCU-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM Cc1cccc(CC(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000052127602 188299545 /nfs/dbraw/zinc/29/95/45/188299545.db2.gz FJBYQJRLPFSUQZ-LLVKDONJSA-N -1 0 249.310 1.717 50 0 BDAARM Cc1ccc(CC(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC000089656504 188304301 /nfs/dbraw/zinc/30/43/01/188304301.db2.gz VLLLWWCZPZRVSG-SSDOTTSWSA-N -1 0 241.312 1.436 50 0 BDAARM CC(C)Cn1cc([C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC000096509120 188321278 /nfs/dbraw/zinc/32/12/78/188321278.db2.gz IOIRLXQTYQZJQA-UWVGGRQHSA-N -1 0 208.261 1.727 50 0 BDAARM CC(=O)n1cc(C(=O)[O-])c2ccccc21 ZINC000003666095 188333054 /nfs/dbraw/zinc/33/30/54/188333054.db2.gz GHLPNUSFQJHAPG-UHFFFAOYSA-N -1 0 203.197 2.000 50 0 BDAARM C/C=C(/C)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000097035768 188366247 /nfs/dbraw/zinc/36/62/47/188366247.db2.gz LKJKPFIHMWDOOG-XGLGWPIMSA-N -1 0 211.261 1.322 50 0 BDAARM CCC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000335202691 355037051 /nfs/dbraw/zinc/03/70/51/355037051.db2.gz KKQDAVMGMNJODN-UHFFFAOYSA-N -1 0 219.166 1.266 50 0 BDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 ZINC000001459352 355770238 /nfs/dbraw/zinc/77/02/38/355770238.db2.gz LEZUBRNOWKMKJV-NSHDSACASA-N -1 0 249.266 1.180 50 0 BDAARM O=C1CSC(=O)N1c1ccccc1O ZINC000001470554 355836450 /nfs/dbraw/zinc/83/64/50/355836450.db2.gz LDTMIRFVJSNTOJ-UHFFFAOYSA-N -1 0 209.226 1.592 50 0 BDAARM NC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003308467 181261653 /nfs/dbraw/zinc/26/16/53/181261653.db2.gz WOSVIUFZAGUVTB-MRVPVSSYSA-N -1 0 242.662 1.524 50 0 BDAARM NC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000001734878 181263103 /nfs/dbraw/zinc/26/31/03/181263103.db2.gz JHCTXLAWUCXDCM-UHFFFAOYSA-N -1 0 214.608 1.529 50 0 BDAARM NC(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564174 181261616 /nfs/dbraw/zinc/26/16/16/181261616.db2.gz HMTJGFAOAICJMM-UHFFFAOYSA-N -1 0 216.143 1.154 50 0 BDAARM Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])on1 ZINC000020250360 356487588 /nfs/dbraw/zinc/48/75/88/356487588.db2.gz IXGDSHPVBLFVQT-MRVPVSSYSA-N -1 0 238.243 1.062 50 0 BDAARM CC(C)c1nn(C)cc1-c1cnc(C(=O)[O-])nc1 ZINC000675070103 538499852 /nfs/dbraw/zinc/49/98/52/538499852.db2.gz PJRJMQLDCXQCBY-UHFFFAOYSA-N -1 0 246.270 1.699 50 0 BDAARM O=Cc1ccc(-c2cnc(C(=O)[O-])nc2)o1 ZINC000675070085 538499989 /nfs/dbraw/zinc/49/99/89/538499989.db2.gz PDUTXBLAEVAIAQ-UHFFFAOYSA-N -1 0 218.168 1.247 50 0 BDAARM CC(=O)N1c2ccc([S@@](=O)[O-])cc2C[C@@H]1C ZINC000125979136 538527112 /nfs/dbraw/zinc/52/71/12/538527112.db2.gz KKFNHAFEPUOFID-ZETCQYMHSA-N -1 0 239.296 1.565 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000006222883 357194415 /nfs/dbraw/zinc/19/44/15/357194415.db2.gz VSFAUFULKMAMRL-GARJFASQSA-N -1 0 231.251 1.900 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccoc1 ZINC000021959177 357963770 /nfs/dbraw/zinc/96/37/70/357963770.db2.gz MKVHSYSHMBGHMF-SECBINFHSA-N -1 0 223.228 1.359 50 0 BDAARM CO[C@@H](C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000169148324 134249571 /nfs/dbraw/zinc/24/95/71/134249571.db2.gz XDIBQTRCMLFYDR-UWVGGRQHSA-N -1 0 243.303 1.125 50 0 BDAARM COc1cc(/C=C/C(=O)[O-])cc(OC)c1 ZINC000001584583 358129879 /nfs/dbraw/zinc/12/98/79/358129879.db2.gz VLSRUFWCGBMYDJ-ONEGZZNKSA-N -1 0 208.213 1.802 50 0 BDAARM O=C([O-])c1coc(NC[C@@H]2CCC[C@@H](O)C2)n1 ZINC000227819779 358363621 /nfs/dbraw/zinc/36/36/21/358363621.db2.gz BWKDLKKDKLBVRY-HTQZYQBOSA-N -1 0 240.259 1.336 50 0 BDAARM Cn1cc(-c2nc(=O)c3sccc3[n-]2)cn1 ZINC000048622981 358645362 /nfs/dbraw/zinc/64/53/62/358645362.db2.gz WIJVQJSQFJUKNO-UHFFFAOYSA-N -1 0 232.268 1.385 50 0 BDAARM Nc1nccc(CC(=O)[O-])c1C(F)(F)F ZINC000238698812 361180386 /nfs/dbraw/zinc/18/03/86/361180386.db2.gz RLNQYEGGMHNFOP-UHFFFAOYSA-N -1 0 220.150 1.310 50 0 BDAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1(C)COC1 ZINC000426550648 200993888 /nfs/dbraw/zinc/99/38/88/200993888.db2.gz PSDYPBBJBDAXNQ-VIFPVBQESA-N -1 0 243.303 1.029 50 0 BDAARM Cc1n[nH]c(C)c1/C=C\c1cc(C(=O)[O-])ncn1 ZINC000536391219 361732809 /nfs/dbraw/zinc/73/28/09/361732809.db2.gz SAPJBXGAXFHKTL-ARJAWSKDSA-N -1 0 244.254 1.685 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1cccnc1 ZINC000037435312 364030489 /nfs/dbraw/zinc/03/04/89/364030489.db2.gz DCLYOJVQMUITKT-MVIFTORASA-N -1 0 246.266 1.170 50 0 BDAARM O=C([O-])CNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000020734276 371318492 /nfs/dbraw/zinc/31/84/92/371318492.db2.gz ZEPXWXAJIBXPNT-UTCJRWHESA-N -1 0 239.658 1.554 50 0 BDAARM Nc1cccc2cc(S(=O)(=O)[O-])ccc12 ZINC000001680645 181750016 /nfs/dbraw/zinc/75/00/16/181750016.db2.gz UWPJYQYRSWYIGZ-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 in-vivo BDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccon1 ZINC000028225489 371581620 /nfs/dbraw/zinc/58/16/20/371581620.db2.gz JLJDDHYHKCOKFS-YUMQZZPRSA-N -1 0 238.243 1.504 50 0 BDAARM O=C([O-])c1cc(-c2ccco2)n2nccc2n1 ZINC000002747706 371648486 /nfs/dbraw/zinc/64/84/86/371648486.db2.gz UIUCELLLLVWZQT-UHFFFAOYSA-N -1 0 229.195 1.688 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCc1ccccc1 ZINC000037719257 182175391 /nfs/dbraw/zinc/17/53/91/182175391.db2.gz UAOBPCIVWJZAQG-NWDGAFQWSA-N -1 0 247.294 1.456 50 0 BDAARM O=C([O-])c1ncccc1C(=O)Nc1ccccn1 ZINC000002158679 182382964 /nfs/dbraw/zinc/38/29/64/182382964.db2.gz FIGTYZMFZVHVHU-UHFFFAOYSA-N -1 0 243.222 1.427 50 0 BDAARM O=C([O-])/C=C\C(=O)Nc1ccc(Cl)cc1 ZINC000004578837 182413999 /nfs/dbraw/zinc/41/39/99/182413999.db2.gz FBTQVXSNFILAQY-WAYWQWQTSA-N -1 0 225.631 1.919 50 0 BDAARM O=C([O-])C(=O)c1cc(F)cc(Cl)c1 ZINC000095731451 182421431 /nfs/dbraw/zinc/42/14/31/182421431.db2.gz GPMVBKOTIFBORG-UHFFFAOYSA-N -1 0 202.568 1.746 50 0 BDAARM O=C([O-])C1CN(c2nc3ccccc3s2)C1 ZINC000061957901 182429764 /nfs/dbraw/zinc/42/97/64/182429764.db2.gz PJWDFJKGYQREOW-UHFFFAOYSA-N -1 0 234.280 1.817 50 0 BDAARM O=C([O-])CCN1C(=O)CC2(CCCCC2)C1=O ZINC000004035737 182444672 /nfs/dbraw/zinc/44/46/72/182444672.db2.gz HQULZAGDHNAVRX-UHFFFAOYSA-N -1 0 239.271 1.171 50 0 BDAARM O=C([O-])CSC(=S)N1CCCCCC1 ZINC000004837342 182472431 /nfs/dbraw/zinc/47/24/31/182472431.db2.gz QZRFQUHIFJKBSY-UHFFFAOYSA-N -1 0 233.358 1.965 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(CC2CCCCC2)C1 ZINC000015015335 182507328 /nfs/dbraw/zinc/50/73/28/182507328.db2.gz IMKQUGUDMBOQPK-SNVBAGLBSA-N -1 0 225.288 1.500 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1cccnc1 ZINC000037435313 182510934 /nfs/dbraw/zinc/51/09/34/182510934.db2.gz DCLYOJVQMUITKT-QRGHLMKCSA-N -1 0 246.266 1.170 50 0 BDAARM O=C([O-])[C@@H]1CNc2ccc(C(F)(F)F)cc2O1 ZINC000020357832 182518489 /nfs/dbraw/zinc/51/84/89/182518489.db2.gz SDMGVMKYXXJFLQ-QMMMGPOBSA-N -1 0 247.172 1.963 50 0 BDAARM O=C([O-])[C@H]1CSC(c2ccncc2)=N1 ZINC000019735676 182543339 /nfs/dbraw/zinc/54/33/39/182543339.db2.gz RXOSZQRLNYGARB-SSDOTTSWSA-N -1 0 208.242 1.028 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc[nH]n1 ZINC000013961034 182532571 /nfs/dbraw/zinc/53/25/71/182532571.db2.gz JQHJVZCWANCGBW-YUMQZZPRSA-N -1 0 235.243 1.015 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000000032134 182536133 /nfs/dbraw/zinc/53/61/33/182536133.db2.gz ZEEAHHXBZHTCOI-SNVBAGLBSA-N -1 0 234.255 1.768 50 0 BDAARM O=C([O-])[C@H]1CCCN1c1ncnc2ccccc21 ZINC000053943909 182536445 /nfs/dbraw/zinc/53/64/45/182536445.db2.gz GFUFVXIKRWWWKO-LLVKDONJSA-N -1 0 243.266 1.683 50 0 BDAARM O=C([O-])[C@H]1CSC(c2ccccc2)=N1 ZINC000019735672 182542604 /nfs/dbraw/zinc/54/26/04/182542604.db2.gz HOZQYTNELGLJMC-MRVPVSSYSA-N -1 0 207.254 1.633 50 0 BDAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)[nH]n1 ZINC000006849523 182551233 /nfs/dbraw/zinc/55/12/33/182551233.db2.gz ORKDEZMAVOKLOJ-UHFFFAOYSA-N -1 0 246.222 1.546 50 0 BDAARM O=C([O-])c1ccc(OC[C@H]2CCCO2)cc1 ZINC000003286652 182570364 /nfs/dbraw/zinc/57/03/64/182570364.db2.gz NWLNPDFDAPBKDB-LLVKDONJSA-N -1 0 222.240 1.943 50 0 BDAARM O=C([O-])c1ccn(Cc2ccccc2)c(=O)c1 ZINC000012954354 182585151 /nfs/dbraw/zinc/58/51/51/182585151.db2.gz DBDXICAOJOTYBI-UHFFFAOYSA-N -1 0 229.235 1.595 50 0 BDAARM O=C([O-])c1ccccc1CSc1nc[nH]n1 ZINC000008671478 182581201 /nfs/dbraw/zinc/58/12/01/182581201.db2.gz JVHKRPSXLPNVSP-UHFFFAOYSA-N -1 0 235.268 1.795 50 0 BDAARM O=c1cn[n-]c(Nc2ccc(Cl)cc2)n1 ZINC000008738271 183006725 /nfs/dbraw/zinc/00/67/25/183006725.db2.gz XCSXQLLTKYWOPS-UHFFFAOYSA-N -1 0 222.635 1.562 50 0 BDAARM CCCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000474940 169185647 /nfs/dbraw/zinc/18/56/47/169185647.db2.gz CEWDWKPASIXUDQ-UHFFFAOYSA-N -1 0 233.223 1.391 50 0 BDAARM O=c1nc(-c2ccc3c(c2)OCO3)[n-]o1 ZINC000020848065 183307873 /nfs/dbraw/zinc/30/78/73/183307873.db2.gz PXMVKXFNQDDMAE-UHFFFAOYSA-N -1 0 206.157 1.171 50 0 BDAARM CCCNc1nc(C)c(C(=O)[O-])s1 ZINC000008024668 169295785 /nfs/dbraw/zinc/29/57/85/169295785.db2.gz AALKEOPFWFCWTN-UHFFFAOYSA-N -1 0 200.263 1.972 50 0 BDAARM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)[O-])C1 ZINC000091304802 166644824 /nfs/dbraw/zinc/64/48/24/166644824.db2.gz YHMUQYORLLKZHP-SSDOTTSWSA-N -1 0 227.260 1.328 50 0 BDAARM CCCc1n[nH]c(=O)n1-c1ccc(C(=O)[O-])cc1 ZINC000065532487 169581636 /nfs/dbraw/zinc/58/16/36/169581636.db2.gz CMNNCECSMQOPFI-UHFFFAOYSA-N -1 0 247.254 1.211 50 0 BDAARM CC(=O)c1ccc(NC(=O)C=CC(=O)[O-])cc1 ZINC000000097533 383826092 /nfs/dbraw/zinc/82/60/92/383826092.db2.gz CWSPWHGWDJSNIB-VOTSOKGWSA-N -1 0 233.223 1.469 50 0 BDAARM Cc1nnsc1-c1onc(C)c1C(=O)[O-] ZINC000000158954 383836517 /nfs/dbraw/zinc/83/65/17/383836517.db2.gz FEZZINWSOIDPDN-UHFFFAOYSA-N -1 0 225.229 1.508 50 0 BDAARM CS(=O)(=O)C=C([O-])c1cccc(F)c1 ZINC000000153888 383836726 /nfs/dbraw/zinc/83/67/26/383836726.db2.gz VSVWRPDWOFICOX-UHFFFAOYSA-N -1 0 216.233 1.053 50 0 BDAARM O=C([O-])Cn1c(=O)oc2cc(Cl)ccc21 ZINC000000265963 383847540 /nfs/dbraw/zinc/84/75/40/383847540.db2.gz GZVFFZYANBZGHW-UHFFFAOYSA-N -1 0 227.603 1.333 50 0 BDAARM C[C@H](NC(=O)OC(C)(C)C)c1n[n-]c(=S)o1 ZINC000000533567 383875137 /nfs/dbraw/zinc/87/51/37/383875137.db2.gz YXKPNCFZPSYTBZ-YFKPBYRVSA-N -1 0 245.304 1.944 50 0 BDAARM O=C([O-])CCn1cc(C(F)(F)F)ccc1=O ZINC000000126901 383829902 /nfs/dbraw/zinc/82/99/02/383829902.db2.gz UNNXVYFHRXGORP-UHFFFAOYSA-N -1 0 235.161 1.342 50 0 BDAARM Cc1cc(C)c(S(=O)(=O)[O-])cc1C ZINC000001640040 383914952 /nfs/dbraw/zinc/91/49/52/383914952.db2.gz RFDZNGIWELUYOT-UHFFFAOYSA-N -1 0 200.259 1.859 50 0 BDAARM CCO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583260 383980453 /nfs/dbraw/zinc/98/04/53/383980453.db2.gz IWSAURYTXKUSGI-YUMQZZPRSA-N -1 0 247.291 1.389 50 0 BDAARM CS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037484034 383981868 /nfs/dbraw/zinc/98/18/68/383981868.db2.gz KUZKZRZCKQMYNB-UHFFFAOYSA-N -1 0 249.675 1.410 50 0 BDAARM C[C@@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000002168435 383953055 /nfs/dbraw/zinc/95/30/55/383953055.db2.gz WUEKFTPKHWMMIP-SECBINFHSA-N -1 0 221.256 1.729 50 0 BDAARM O=C([O-])CNC(=O)c1cccc(OC(F)F)c1 ZINC000003289283 384001089 /nfs/dbraw/zinc/00/10/89/384001089.db2.gz IWXJYMXLBWQGNF-UHFFFAOYSA-N -1 0 245.181 1.102 50 0 BDAARM Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)[O-] ZINC000002534250 383971885 /nfs/dbraw/zinc/97/18/85/383971885.db2.gz XPHVOMAZLMVCFI-YFKPBYRVSA-N -1 0 236.193 1.931 50 0 BDAARM O=C([O-])Cn1ccc(-c2ccccc2)n1 ZINC000002567205 383976466 /nfs/dbraw/zinc/97/64/66/383976466.db2.gz WLGJCAOQGPHLPW-UHFFFAOYSA-N -1 0 202.213 1.635 50 0 BDAARM O=C([O-])C1=C(OCc2ccccc2)C(=O)NCC1 ZINC000004108810 384043563 /nfs/dbraw/zinc/04/35/63/384043563.db2.gz ICVPOTCVGNBSMD-UHFFFAOYSA-N -1 0 247.250 1.062 50 0 BDAARM COC(=O)c1cc(=O)c2ccc(C)c(C)c2[n-]1 ZINC000038537245 384085078 /nfs/dbraw/zinc/08/50/78/384085078.db2.gz UFHWJOTXZOPDAV-UHFFFAOYSA-N -1 0 231.251 1.932 50 0 BDAARM O=C([O-])COc1cc(=O)oc2ccccc12 ZINC000038545774 384086590 /nfs/dbraw/zinc/08/65/90/384086590.db2.gz HCADRKLBKXNECB-UHFFFAOYSA-N -1 0 220.180 1.256 50 0 BDAARM C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000061411447 384104023 /nfs/dbraw/zinc/10/40/23/384104023.db2.gz NFSJHJYFIRAVFP-MRVPVSSYSA-N -1 0 244.250 1.438 50 0 BDAARM O=C([O-])c1ccn(CCc2ccccc2)n1 ZINC000070707567 384133486 /nfs/dbraw/zinc/13/34/86/384133486.db2.gz IKXZQEQXYLLBPJ-UHFFFAOYSA-N -1 0 216.240 1.824 50 0 BDAARM CCc1cc(=O)oc2cc(O)cc(O)c12 ZINC000005908522 384137196 /nfs/dbraw/zinc/13/71/96/384137196.db2.gz YSXZYOIJQXZLGI-UHFFFAOYSA-N -1 0 206.197 1.767 50 0 BDAARM O=C([O-])Cc1cn2ccc(Cl)cc2n1 ZINC000040447991 384151949 /nfs/dbraw/zinc/15/19/49/384151949.db2.gz SEQZQBBTYPCPRO-UHFFFAOYSA-N -1 0 210.620 1.615 50 0 BDAARM Cn1nc(C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000006677790 384162907 /nfs/dbraw/zinc/16/29/07/384162907.db2.gz ODPKQFCBBUCKGS-UHFFFAOYSA-N -1 0 220.203 1.924 50 0 BDAARM O=S(=O)([O-])CCOc1ccc(F)cc1 ZINC000072242358 384201582 /nfs/dbraw/zinc/20/15/82/384201582.db2.gz PLIYMZGLOOPFDN-UHFFFAOYSA-N -1 0 220.221 1.092 50 0 BDAARM O=C([O-])C[S@@](=O)c1ccc(Cl)cc1 ZINC000008637869 384207641 /nfs/dbraw/zinc/20/76/41/384207641.db2.gz BGQBJZGWNGYNEP-ZDUSSCGKSA-N -1 0 218.661 1.532 50 0 BDAARM COCCn1ccc2cc(C(=O)[O-])ccc21 ZINC000072323960 384208766 /nfs/dbraw/zinc/20/87/66/384208766.db2.gz MNWYXWHBUCHHTF-UHFFFAOYSA-N -1 0 219.240 1.986 50 0 biogenic BDAARM COCc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000100403107 384319594 /nfs/dbraw/zinc/31/95/94/384319594.db2.gz CEYWBSLLUACCTL-UHFFFAOYSA-N -1 0 204.229 1.724 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(C2CC2)CC1 ZINC000097036828 384294107 /nfs/dbraw/zinc/29/41/07/384294107.db2.gz DJJHIOCAVIZSMB-BDAKNGLRSA-N -1 0 223.272 1.014 50 0 BDAARM O=C([O-])CCSc1ncc(Cl)cn1 ZINC000095099999 384367046 /nfs/dbraw/zinc/36/70/46/384367046.db2.gz XJFOPKCVNXERAA-UHFFFAOYSA-N -1 0 218.665 1.697 50 0 BDAARM O=C([O-])CCNC(=S)Nc1ccccc1 ZINC000001219074 384367485 /nfs/dbraw/zinc/36/74/85/384367485.db2.gz NMBWTDIFSHKDJO-UHFFFAOYSA-N -1 0 224.285 1.448 50 0 BDAARM Cc1ocnc1CNC(=O)c1ccc(O)cc1O ZINC000097079738 384323701 /nfs/dbraw/zinc/32/37/01/384323701.db2.gz CXILNKFHXGAAAY-UHFFFAOYSA-N -1 0 248.238 1.324 50 0 BDAARM O=C([O-])Cc1c(Cl)ncnc1Cl ZINC000044373964 384327732 /nfs/dbraw/zinc/32/77/32/384327732.db2.gz KHWWRGPXYMGOJW-UHFFFAOYSA-N -1 0 207.016 1.411 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1 ZINC000095616737 384382898 /nfs/dbraw/zinc/38/28/98/384382898.db2.gz VAXFBQGBIHPZCF-HTQZYQBOSA-N -1 0 247.266 1.666 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000095707328 384389753 /nfs/dbraw/zinc/38/97/53/384389753.db2.gz OUTDFRNFTVGFRQ-CPCISQLKSA-N -1 0 227.260 1.328 50 0 BDAARM O=C([O-])C[C@@H]1C(=O)Nc2cc(F)ccc21 ZINC000096085731 384433526 /nfs/dbraw/zinc/43/35/26/384433526.db2.gz KKGBSHPZFPPKHD-ZETCQYMHSA-N -1 0 209.176 1.336 50 0 BDAARM O=C([O-])C[C@@H]1Cn2c3ccccc3nc2NC1=O ZINC000019702648 384534517 /nfs/dbraw/zinc/53/45/17/384534517.db2.gz ULHXWJCMBYFRPF-SSDOTTSWSA-N -1 0 245.238 1.079 50 0 BDAARM O=C([O-])Cc1csc(Nc2ccccn2)n1 ZINC000048980997 384516207 /nfs/dbraw/zinc/51/62/07/384516207.db2.gz WRNWCPKKXRFQLV-UHFFFAOYSA-N -1 0 235.268 1.909 50 0 BDAARM CC(C)[C@@H]1CCc2[nH]c(=O)c(C(=O)[O-])cc2C1 ZINC000049827307 384571443 /nfs/dbraw/zinc/57/14/43/384571443.db2.gz FFVHBWCZMRJKOR-MRVPVSSYSA-N -1 0 235.283 1.834 50 0 BDAARM O=C([O-])CCNC(=O)N1CCc2ccccc2C1 ZINC000019980283 384567978 /nfs/dbraw/zinc/56/79/78/384567978.db2.gz RRDCSSJPQZOUPP-UHFFFAOYSA-N -1 0 248.282 1.229 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000100047840 384612065 /nfs/dbraw/zinc/61/20/65/384612065.db2.gz GYEQQDCMLKKYGG-JIGDXULJSA-N -1 0 227.260 1.184 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2C(=O)[O-] ZINC000100078364 384617078 /nfs/dbraw/zinc/61/70/78/384617078.db2.gz GYEQQDCMLKKYGG-RNLVFQAGSA-N -1 0 227.260 1.184 50 0 BDAARM Cc1ccc(-n2[nH]cc(C(=O)[O-])c2=O)cc1C ZINC000100489101 384644712 /nfs/dbraw/zinc/64/47/12/384644712.db2.gz CQRWRXHYUYNACA-SNVBAGLBSA-N -1 0 232.239 1.337 50 0 BDAARM O=C([O-])c1ccc(NCCn2cccn2)cc1 ZINC000050913259 384651416 /nfs/dbraw/zinc/65/14/16/384651416.db2.gz XLKXEONXPQCBBY-UHFFFAOYSA-N -1 0 231.255 1.693 50 0 BDAARM O=C([O-])c1ccc(-c2ccccn2)cn1 ZINC000082505816 384689930 /nfs/dbraw/zinc/68/99/30/384689930.db2.gz AXJKHMPAWFRPAR-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2C(=O)[O-] ZINC000051943484 384703092 /nfs/dbraw/zinc/70/30/92/384703092.db2.gz XRDRXGVDCVQVPV-DJLDLDEBSA-N -1 0 241.287 1.859 50 0 BDAARM O=C([O-])c1ccc(O)c(OC(F)(F)F)c1 ZINC000142873985 384711335 /nfs/dbraw/zinc/71/13/35/384711335.db2.gz WFZFXTGWKQOWRS-UHFFFAOYSA-N -1 0 222.118 1.989 50 0 BDAARM O=C([O-])c1cn(C/C=C/c2ccccc2)nn1 ZINC000072130871 384770874 /nfs/dbraw/zinc/77/08/74/384770874.db2.gz UMYKGAZERGCEME-QPJJXVBHSA-N -1 0 229.239 1.690 50 0 BDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccs1 ZINC000054050869 384817536 /nfs/dbraw/zinc/81/75/36/384817536.db2.gz SZEKDRMODRDSTK-ZCFIWIBFSA-N -1 0 213.258 1.293 50 0 BDAARM CS(=O)(=O)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000083827092 384801953 /nfs/dbraw/zinc/80/19/53/384801953.db2.gz RHLXNSFBBLTCTN-SNVBAGLBSA-N -1 0 242.296 1.290 50 0 BDAARM O=C([O-])Cc1nc(CNc2ccccc2)n[nH]1 ZINC000026508088 384875599 /nfs/dbraw/zinc/87/55/99/384875599.db2.gz LYTREVBRYGCXRV-UHFFFAOYSA-N -1 0 232.243 1.044 50 0 BDAARM O=c1ccc(I)c(F)[n-]1 ZINC000085221921 384928019 /nfs/dbraw/zinc/92/80/19/384928019.db2.gz OSOZRTIYHZBEGL-UHFFFAOYSA-N -1 0 238.987 1.119 50 0 BDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000057954770 384973663 /nfs/dbraw/zinc/97/36/63/384973663.db2.gz YAFCYESBJWJEMX-MWLCHTKSSA-N -1 0 237.230 1.430 50 0 BDAARM 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/nfs/dbraw/zinc/34/85/48/387348548.db2.gz DLQNFCFKEMLZEP-UHFFFAOYSA-N -1 0 247.283 1.332 50 0 BDAARM CC(O)=CC(=O)C=C([O-])c1ccccc1 ZINC000100476729 387471568 /nfs/dbraw/zinc/47/15/68/387471568.db2.gz PWYYHTLZMQHPLP-UHFFFAOYSA-N -1 0 204.225 1.808 50 0 BDAARM Cc1nc(=N[C@@H](C)c2nccc(C)n2)s[n-]1 ZINC000521395297 387915805 /nfs/dbraw/zinc/91/58/05/387915805.db2.gz XSUJFNMPNBEJPJ-ZETCQYMHSA-N -1 0 235.316 1.540 50 0 BDAARM O=C([O-])/C=C\c1ccc2c(c1)OCCO2 ZINC000016764646 388361100 /nfs/dbraw/zinc/36/11/00/388361100.db2.gz KPDOZWMLNDDCDJ-RQOWECAXSA-N -1 0 206.197 1.556 50 0 BDAARM O=C([O-])C[C@H](CC(=O)NC1CC1)c1ccccc1 ZINC000057536206 388362408 /nfs/dbraw/zinc/36/24/08/388362408.db2.gz XOKXPERYTNSONI-NSHDSACASA-N -1 0 247.294 1.914 50 0 BDAARM CC(=O)Nc1ccc(Nc2nc(O)cs2)cc1 ZINC000016789970 388365598 /nfs/dbraw/zinc/36/55/98/388365598.db2.gz ACXASTAOWLSHEB-UHFFFAOYSA-N -1 0 249.295 1.686 50 0 BDAARM O=C([O-])COc1ccc(-c2nnco2)cc1 ZINC000003357008 388374969 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/nfs/dbraw/zinc/33/11/94/132331194.db2.gz ZABGXMCXGREUAJ-DTORHVGOSA-N -1 0 236.271 1.393 50 0 BDAARM O=C([O-])/C=C\C(=O)N1CCCc2ccccc21 ZINC000033246154 132335902 /nfs/dbraw/zinc/33/59/02/132335902.db2.gz CBGATFOXQAAEQZ-FPLPWBNLSA-N -1 0 231.251 1.607 50 0 BDAARM O=C([O-])CN1C(=O)COc2cc(Cl)ccc21 ZINC000035462612 132338623 /nfs/dbraw/zinc/33/86/23/132338623.db2.gz MLAAEUSPMBUSEJ-UHFFFAOYSA-N -1 0 241.630 1.150 50 0 BDAARM O=C([O-])[C@@H]1CN(c2cccc(F)c2)CCO1 ZINC000072343743 132396461 /nfs/dbraw/zinc/39/64/61/132396461.db2.gz FLXLSAHUYGGLMV-JTQLQIEISA-N -1 0 225.219 1.116 50 0 BDAARM O=C([O-])CN(C(=O)[C@@H]1CC12CC2)c1ccccc1 ZINC000263222791 135340443 /nfs/dbraw/zinc/34/04/43/135340443.db2.gz PLELFIINXUXZHT-NSHDSACASA-N -1 0 245.278 1.904 50 0 BDAARM Cc1ccncc1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000263567168 135362483 /nfs/dbraw/zinc/36/24/83/135362483.db2.gz XFENWLVBZYLRGG-SECBINFHSA-N -1 0 248.282 1.468 50 0 BDAARM Cc1nnc([S-])n(C2CCCCC2)c1=O ZINC000100659289 397763556 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/nfs/dbraw/zinc/13/50/83/168135083.db2.gz DCLJFCKCPYGNBT-QMMMGPOBSA-N -1 0 218.260 1.452 50 0 BDAARM CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047933466 170103039 /nfs/dbraw/zinc/10/30/39/170103039.db2.gz JMSUKCOYBPISHE-UHFFFAOYSA-N -1 0 249.295 1.748 50 0 BDAARM CCOC(=O)c1cnn2ccc(C(=O)[O-])cc12 ZINC000095635338 170304653 /nfs/dbraw/zinc/30/46/53/170304653.db2.gz QPIKGZFYPGQUEM-UHFFFAOYSA-N -1 0 234.211 1.209 50 0 BDAARM CCOC(=O)c1oc2ncccc2c1[O-] ZINC000100067703 170310495 /nfs/dbraw/zinc/31/04/95/170310495.db2.gz ZZEHSWOSYCXPIE-UHFFFAOYSA-N -1 0 207.185 1.710 50 0 BDAARM CCOCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000020251244 170344939 /nfs/dbraw/zinc/34/49/39/170344939.db2.gz QOSHVWGGZNNIPK-UHFFFAOYSA-N -1 0 237.255 1.038 50 0 BDAARM CCS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000005863875 170623153 /nfs/dbraw/zinc/62/31/53/170623153.db2.gz IOMGTNZQTBFAHK-UHFFFAOYSA-N -1 0 214.242 1.178 50 0 BDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)C1CCC1 ZINC000095970263 171164166 /nfs/dbraw/zinc/16/41/66/171164166.db2.gz HAULCZRMSBPWQN-NSHDSACASA-N -1 0 213.277 1.546 50 0 BDAARM CC[C@@](C)(NC(=O)c1ccccc1)C(=O)[O-] ZINC000004350256 171174677 /nfs/dbraw/zinc/17/46/77/171174677.db2.gz DAPVRBBDZOYSBG-GFCCVEGCSA-N -1 0 221.256 1.670 50 0 BDAARM CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000057450 171236159 /nfs/dbraw/zinc/23/61/59/171236159.db2.gz URWCIQUEFSJOJG-SECBINFHSA-N -1 0 233.223 1.146 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccoc1C ZINC000095970234 171690116 /nfs/dbraw/zinc/69/01/16/171690116.db2.gz VKFGDNLABAJMRB-GFCCVEGCSA-N -1 0 239.271 1.961 50 0 BDAARM CCN(C(=O)Cc1cccs1)[C@@H](C)C(=O)[O-] ZINC000663123519 412385673 /nfs/dbraw/zinc/38/56/73/412385673.db2.gz GQPWLTXLGFOSHR-QMMMGPOBSA-N -1 0 241.312 1.612 50 0 BDAARM CCc1ocnc1C(=O)N(CC(=O)[O-])C(C)C ZINC000262380497 172119927 /nfs/dbraw/zinc/11/99/27/172119927.db2.gz CPYURIFMMNOZKN-UHFFFAOYSA-N -1 0 240.259 1.172 50 0 BDAARM CCn1c2ccccc2c([O-])c(C(=O)NC)c1=O ZINC000100498373 172131544 /nfs/dbraw/zinc/13/15/44/172131544.db2.gz KFJZYDHKDQFKGA-UHFFFAOYSA-N -1 0 246.266 1.087 50 0 BDAARM CN(C)C(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000011919770 172386237 /nfs/dbraw/zinc/38/62/37/172386237.db2.gz RCADQIRMKGJSHI-PRHODGIISA-N -1 0 227.304 1.602 50 0 BDAARM CN1c2ccc(F)cc2[C@H](CC(=O)[O-])C1=O ZINC000095496174 172970911 /nfs/dbraw/zinc/97/09/11/172970911.db2.gz KEAXJAFMTYCYOC-QMMMGPOBSA-N -1 0 223.203 1.360 50 0 BDAARM COC(=O)[C@@H]1C[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000091302218 173745195 /nfs/dbraw/zinc/74/51/95/173745195.db2.gz CNRLZWCRQCKPSD-NXEZZACHSA-N -1 0 220.224 1.661 50 0 BDAARM COC(CNc1nc(C)c(C(=O)[O-])s1)OC ZINC000096232739 173963311 /nfs/dbraw/zinc/96/33/11/173963311.db2.gz IZNNQGOQDQUVFM-UHFFFAOYSA-N -1 0 246.288 1.181 50 0 BDAARM COCCN(C/C=C/c1ccccc1)CC(=O)[O-] ZINC000049607209 174284544 /nfs/dbraw/zinc/28/45/44/174284544.db2.gz QNLPCNNBRIBTPN-VMPITWQZSA-N -1 0 249.310 1.733 50 0 BDAARM COCCOc1ccc(C(=O)[O-])cc1OC ZINC000019394119 174367720 /nfs/dbraw/zinc/36/77/20/174367720.db2.gz QJEPOOMJVNBVIA-UHFFFAOYSA-N -1 0 226.228 1.419 50 0 BDAARM COc1c(N)cc(C(=O)[O-])cc1Cl ZINC000020227884 174933170 /nfs/dbraw/zinc/93/31/70/174933170.db2.gz QFCIBKZDFATIIR-UHFFFAOYSA-N -1 0 201.609 1.629 50 0 BDAARM COc1cc2[nH]c(=O)cc([O-])c2cc1OC ZINC000006740904 175019083 /nfs/dbraw/zinc/01/90/83/175019083.db2.gz FGPCWYCOKWFRNK-UHFFFAOYSA-N -1 0 221.212 1.251 50 0 BDAARM COc1ccc(-c2nnc(SC)[n-]c2=O)cc1 ZINC000019689566 175042625 /nfs/dbraw/zinc/04/26/25/175042625.db2.gz MKOPZSZVCLBBLD-UHFFFAOYSA-N -1 0 249.295 1.562 50 0 BDAARM COc1ccc(-n2nc(C(=O)[O-])nc2C)cc1 ZINC000021948250 175044544 /nfs/dbraw/zinc/04/45/44/175044544.db2.gz LKHWSFIGCBUXGJ-UHFFFAOYSA-N -1 0 233.227 1.283 50 0 BDAARM COc1ccc(C(=O)CCC(=O)[O-])c(OC)c1 ZINC000001675299 175053461 /nfs/dbraw/zinc/05/34/61/175053461.db2.gz NRTGCJCRCNCNNC-UHFFFAOYSA-N -1 0 238.239 1.751 50 0 BDAARM COc1ccc(C(=O)[O-])cc1-c1ccn(C)n1 ZINC000088613811 175064507 /nfs/dbraw/zinc/06/45/07/175064507.db2.gz NNGDBMBGLMHIEX-UHFFFAOYSA-N -1 0 232.239 1.794 50 0 BDAARM COc1ccc(C(C)=O)cc1CC(=O)[O-] ZINC000003416082 175068636 /nfs/dbraw/zinc/06/86/36/175068636.db2.gz ZIQLGQMVEOXQSY-UHFFFAOYSA-N -1 0 208.213 1.525 50 0 BDAARM COc1ccc(C)cc1-n1ccc(C(=O)[O-])n1 ZINC000020475888 175073387 /nfs/dbraw/zinc/07/33/87/175073387.db2.gz PHXPHNJWLWDHLM-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM COc1ccc(CC(=O)[O-])c(OC)c1OC ZINC000000155416 175087698 /nfs/dbraw/zinc/08/76/98/175087698.db2.gz ZMWCKCLDAQWIDA-UHFFFAOYSA-N -1 0 226.228 1.340 50 0 BDAARM COc1ccc(Cl)cc1[S@@](=O)[O-] ZINC000071510200 175122677 /nfs/dbraw/zinc/12/26/77/175122677.db2.gz RDYMLBNCDIIZMA-UHFFFAOYSA-N -1 0 206.650 1.929 50 0 BDAARM COc1ccc(OC)c(C(=O)CCC(=O)[O-])c1 ZINC000000396787 175164715 /nfs/dbraw/zinc/16/47/15/175164715.db2.gz HSFBDVDTGCGJBZ-UHFFFAOYSA-N -1 0 238.239 1.751 50 0 BDAARM COc1ccc(OC)c(OCCC(=O)[O-])c1 ZINC000098179001 175167046 /nfs/dbraw/zinc/16/70/46/175167046.db2.gz HKYDDXZAWXIJCM-UHFFFAOYSA-N -1 0 226.228 1.557 50 0 BDAARM COc1ccc(OC)c([C@H](O)CCC(=O)[O-])c1 ZINC000004939567 175169061 /nfs/dbraw/zinc/16/90/61/175169061.db2.gz RZQMALHEURKIFF-SNVBAGLBSA-N -1 0 240.255 1.602 50 0 BDAARM COc1ccc([C@@H](C)C(=O)[O-])cc1OC ZINC000019726369 175176275 /nfs/dbraw/zinc/17/62/75/175176275.db2.gz KWOMNGWHOBWKBP-SSDOTTSWSA-N -1 0 210.229 1.892 50 0 BDAARM COc1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000000117350 175202034 /nfs/dbraw/zinc/20/20/34/175202034.db2.gz YUXLPEGMXYHPCZ-UHFFFAOYSA-N -1 0 219.196 1.235 50 0 biogenic BDAARM COc1cccc(C2(C(=O)[O-])COC2)c1 ZINC000076641667 175248323 /nfs/dbraw/zinc/24/83/23/175248323.db2.gz LFOPAIWRVXPWHD-UHFFFAOYSA-N -1 0 208.213 1.048 50 0 BDAARM COc1cccc([C@](N)(C(=O)[O-])C(F)(F)F)c1 ZINC000069548545 175296593 /nfs/dbraw/zinc/29/65/93/175296593.db2.gz TZGOEAGUFDXFRQ-VIFPVBQESA-N -1 0 249.188 1.496 50 0 BDAARM COc1cccc2cc(C(=O)[O-])c(=O)oc21 ZINC000000084532 175306276 /nfs/dbraw/zinc/30/62/76/175306276.db2.gz SFAPWVZFUHJZIC-UHFFFAOYSA-N -1 0 220.180 1.500 50 0 biogenic,in-vivo BDAARM COc1ccccc1CNC(=O)C1(C(=O)[O-])CC1 ZINC000050289822 175329010 /nfs/dbraw/zinc/32/90/10/175329010.db2.gz XLAFTRXGZJQILV-UHFFFAOYSA-N -1 0 249.266 1.176 50 0 BDAARM COc1ccccc1N1CC[C@H](C(=O)[O-])C1=O ZINC000002520432 175335754 /nfs/dbraw/zinc/33/57/54/175335754.db2.gz QMNGUAWXPGHDJO-QMMMGPOBSA-N -1 0 235.239 1.133 50 0 BDAARM COc1ccccc1N1CC[C@@H](C(=O)[O-])C1=O ZINC000006407883 175336114 /nfs/dbraw/zinc/33/61/14/175336114.db2.gz QMNGUAWXPGHDJO-MRVPVSSYSA-N -1 0 235.239 1.133 50 0 BDAARM CSc1nc(C(=O)[O-])cc(C2CC2)n1 ZINC000032628310 175586847 /nfs/dbraw/zinc/58/68/47/175586847.db2.gz CTIULVWBXFFROZ-UHFFFAOYSA-N -1 0 210.258 1.774 50 0 BDAARM C[C@@H](CN(C(=O)c1ccoc1)C1CC1)C(=O)[O-] ZINC000225484900 175694816 /nfs/dbraw/zinc/69/48/16/175694816.db2.gz MJVVZGCNBNOQNJ-QMMMGPOBSA-N -1 0 237.255 1.605 50 0 BDAARM C[C@@H]1CCCN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)C1 ZINC000169676194 176093894 /nfs/dbraw/zinc/09/38/94/176093894.db2.gz SOMJPPGYJWKMIA-UTLUCORTSA-N -1 0 239.315 1.602 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000100978585 176601050 /nfs/dbraw/zinc/60/10/50/176601050.db2.gz RBXBZCVQGXQQDT-GARJFASQSA-N -1 0 241.331 1.992 50 0 BDAARM C[C@H](NC(=O)CO[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237422019 176793418 /nfs/dbraw/zinc/79/34/18/176793418.db2.gz VQEPAFVKPQSPLT-UTLUCORTSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H](NC(=O)c1cccc2cc[nH]c21)C(=O)[O-] ZINC000088731002 176819008 /nfs/dbraw/zinc/81/90/08/176819008.db2.gz NYICVQMLFPCITI-ZETCQYMHSA-N -1 0 232.239 1.371 50 0 BDAARM C[C@H]1CN(C(=O)OC(C)(C)C)C([O-])=CC1=O ZINC000098181576 177222522 /nfs/dbraw/zinc/22/25/22/177222522.db2.gz RBIJPKRRQHYYFP-ZETCQYMHSA-N -1 0 227.260 1.359 50 0 BDAARM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000004202437 177222586 /nfs/dbraw/zinc/22/25/86/177222586.db2.gz ZFQQTPBWJCJGSV-IUCAKERBSA-N -1 0 243.303 1.964 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000097018092 177340429 /nfs/dbraw/zinc/34/04/29/177340429.db2.gz UVMQIMPURICGNG-ONGXEEELSA-N -1 0 239.315 1.888 50 0 BDAARM C[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095969931 177376571 /nfs/dbraw/zinc/37/65/71/177376571.db2.gz JIDVANHRAASINY-CMPLNLGQSA-N -1 0 247.294 1.756 50 0 BDAARM CC1CC(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC000659230594 487745032 /nfs/dbraw/zinc/74/50/32/487745032.db2.gz SPFVFQGICABACD-OXYCZDQYSA-N -1 0 225.288 1.354 50 0 BDAARM O=C([O-])/C=C\[C@H]1COc2ccccc2C1 ZINC000083327965 487901689 /nfs/dbraw/zinc/90/16/89/487901689.db2.gz VRORSHSQJGUNNU-SSJHQANKSA-N -1 0 204.225 1.879 50 0 BDAARM COc1cc(C(=O)[O-])cc(-c2ccncc2)n1 ZINC000534588911 323154348 /nfs/dbraw/zinc/15/43/48/323154348.db2.gz YQAPACSGHZYNGS-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM Cn1nc(-c2cccc(C(=O)[O-])c2)ccc1=O ZINC000041631491 323171957 /nfs/dbraw/zinc/17/19/57/323171957.db2.gz FSJPGAAQAXWPQR-UHFFFAOYSA-N -1 0 230.223 1.146 50 0 BDAARM COc1nccnc1-c1ccc(C(=O)[O-])s1 ZINC000167540886 323172375 /nfs/dbraw/zinc/17/23/75/323172375.db2.gz GSVCMKYXQKHWDS-UHFFFAOYSA-N -1 0 236.252 1.912 50 0 BDAARM CN(CC(=O)[O-])c1nc(C(F)(F)F)ns1 ZINC000228762678 491102637 /nfs/dbraw/zinc/10/26/37/491102637.db2.gz VGWYUQKWLICCKO-UHFFFAOYSA-N -1 0 241.194 1.078 50 0 BDAARM O=C([O-])c1cc(OCc2ccccc2)ncn1 ZINC000306350887 526355241 /nfs/dbraw/zinc/35/52/41/526355241.db2.gz NIBRDEBRGZGMBM-UHFFFAOYSA-N -1 0 230.223 1.754 50 0 BDAARM O=C([O-])c1cccc(S(=O)(=O)C(F)F)c1 ZINC000069977792 526393958 /nfs/dbraw/zinc/39/39/58/526393958.db2.gz OCIOKKBXUYPEOV-UHFFFAOYSA-N -1 0 236.195 1.381 50 0 BDAARM CCc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000262827684 535925419 /nfs/dbraw/zinc/92/54/19/535925419.db2.gz BFUTUDJRADIDCJ-PHIMTYICSA-N -1 0 247.294 1.842 50 0 BDAARM COc1ccc([S@](=O)[O-])c(C)c1F ZINC000675061971 566449413 /nfs/dbraw/zinc/44/94/13/566449413.db2.gz WJCKBDIBHVGYGR-UHFFFAOYSA-N -1 0 204.222 1.723 50 0 BDAARM C[C@@]1(c2ccccc2)CCC(=O)N(CC(=O)[O-])C1 ZINC000091725166 566435057 /nfs/dbraw/zinc/43/50/57/566435057.db2.gz XHGFNPFSZSELAW-CQSZACIVSA-N -1 0 247.294 1.651 50 0 BDAARM CCOc1nc(NCCC(=O)[O-])ncc1Cl ZINC000864097384 589344690 /nfs/dbraw/zinc/34/46/90/589344690.db2.gz UZQQXRRCWBERSZ-UHFFFAOYSA-N -1 0 245.666 1.415 50 0 BDAARM O=C([O-])C1(c2ccc3c(c2)OCO3)CC1 ZINC000020429469 591971698 /nfs/dbraw/zinc/97/16/98/591971698.db2.gz NZZVDTIYQUASAT-UHFFFAOYSA-N -1 0 206.197 1.532 50 0 BDAARM O=C([O-])c1ccn(-c2cc(F)c(F)c(F)c2)n1 ZINC000061119455 640927065 /nfs/dbraw/zinc/92/70/65/640927065.db2.gz DAQZQDJZFNXVTO-UHFFFAOYSA-N -1 0 242.156 1.988 50 0 BDAARM C[C@@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)[C@H]1C ZINC000585119431 972151486 /nfs/dbraw/zinc/15/14/86/972151486.db2.gz HPZJTGKGTMNNCU-BDAKNGLRSA-N -1 0 246.314 1.648 50 0 BDAARM Cc1nc(N)nc(SCC(=O)[O-])c1Cl ZINC000002569446 229471303 /nfs/dbraw/zinc/47/13/03/229471303.db2.gz ZCWAUQWZBWHDJY-UHFFFAOYSA-N -1 0 233.680 1.197 50 0 BDAARM Cc1cc(C)nc(N2CCC[C@@H]2C(=O)[O-])n1 ZINC000004778721 177936223 /nfs/dbraw/zinc/93/62/23/177936223.db2.gz QYEOBTIRZQUURJ-SECBINFHSA-N -1 0 221.260 1.147 50 0 BDAARM CCC(CC)(CNC(=O)c1ccoc1)C(=O)[O-] ZINC000097020634 168325655 /nfs/dbraw/zinc/32/56/55/168325655.db2.gz BEBYUIHXAWBBNM-UHFFFAOYSA-N -1 0 239.271 1.900 50 0 BDAARM CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1F ZINC000071789327 398161268 /nfs/dbraw/zinc/16/12/68/398161268.db2.gz HBKHMUVRKAWKKJ-LLVKDONJSA-N -1 0 225.219 1.262 50 0 BDAARM Cc1cc(Cl)cc(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000088139438 178063073 /nfs/dbraw/zinc/06/30/73/178063073.db2.gz XWHZFXGJAGSMSP-SSDOTTSWSA-N -1 0 241.674 1.851 50 0 BDAARM Cc1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)no1 ZINC000061721967 178148980 /nfs/dbraw/zinc/14/89/80/178148980.db2.gz PNYZQYRRJNZCSF-HTQZYQBOSA-N -1 0 238.243 1.278 50 0 BDAARM Cc1cc(S(C)(=O)=O)ccc1C(=O)[O-] ZINC000034258100 178216448 /nfs/dbraw/zinc/21/64/48/178216448.db2.gz WEKZLBGODVDBBZ-UHFFFAOYSA-N -1 0 214.242 1.097 50 0 BDAARM Cc1cc2nc(COCC(=O)[O-])[nH]c2cc1C ZINC000019737143 178302594 /nfs/dbraw/zinc/30/25/94/178302594.db2.gz WQCAQKPXPYEKTE-UHFFFAOYSA-N -1 0 234.255 1.781 50 0 BDAARM Cc1ccc(-c2ccc(OCC(=O)[O-])cc2)nn1 ZINC000215772628 178325962 /nfs/dbraw/zinc/32/59/62/178325962.db2.gz PXAIPYURSVDKBJ-UHFFFAOYSA-N -1 0 244.250 1.915 50 0 BDAARM Cc1ccc(-n2cc(C(=O)[O-])nn2)cc1 ZINC000015829232 178345825 /nfs/dbraw/zinc/34/58/25/178345825.db2.gz QLYIBBOHIXNWJP-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc(C)cc1F ZINC000036895331 178349429 /nfs/dbraw/zinc/34/94/29/178349429.db2.gz JPIDDNRWXJDOTB-UHFFFAOYSA-N -1 0 235.218 1.721 50 0 BDAARM Cc1ccc(-c2cn[n-]c(=NN)n2)c(C)c1 ZINC000019090323 178330188 /nfs/dbraw/zinc/33/01/88/178330188.db2.gz UDTSRROBNOWKJC-UHFFFAOYSA-N -1 0 215.260 1.441 50 0 BDAARM Cc1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000004110250 178383030 /nfs/dbraw/zinc/38/30/30/178383030.db2.gz ILIKRFYAMVZWMT-UHFFFAOYSA-N -1 0 219.240 1.152 50 0 BDAARM Cc1ccc(C(=O)C([O-])(O)C(F)(F)F)cc1 ZINC000004324216 178371898 /nfs/dbraw/zinc/37/18/98/178371898.db2.gz JTAKWPJCSZPSGW-UHFFFAOYSA-N -1 0 234.173 1.421 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2ccc(F)cc2)N1 ZINC000000068661 342672760 /nfs/dbraw/zinc/67/27/60/342672760.db2.gz GPKWJQGAXZSDCF-RKDXNWHRSA-N -1 0 227.260 1.614 50 0 BDAARM O=C([O-])c1ccccc1I ZINC000000090931 342674090 /nfs/dbraw/zinc/67/40/90/342674090.db2.gz CJNZAXGUTKBIHP-UHFFFAOYSA-N -1 0 248.019 1.989 50 0 in-vitro BDAARM O=C([O-])/C=C/C(=O)Nc1cc(F)ccc1F ZINC000000097846 342674445 /nfs/dbraw/zinc/67/44/45/342674445.db2.gz YQOSOCNBRLVPKD-ONEGZZNKSA-N -1 0 227.166 1.544 50 0 BDAARM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000000113110 342675164 /nfs/dbraw/zinc/67/51/64/342675164.db2.gz NBQXYAJLUDQSNV-NSHDSACASA-N -1 0 233.267 1.428 50 0 BDAARM COc1ccc(SCC(=O)[O-])cc1OC ZINC000000131937 342676394 /nfs/dbraw/zinc/67/63/94/342676394.db2.gz ANVXBTSSFGHHBD-UHFFFAOYSA-N -1 0 228.269 1.881 50 0 BDAARM Nc1c(C(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000000133925 342676450 /nfs/dbraw/zinc/67/64/50/342676450.db2.gz LNIMZORHQHNQPJ-UHFFFAOYSA-N -1 0 237.646 1.806 50 0 BDAARM COC(=O)C=C([O-])c1ccc(C(F)(F)F)nc1 ZINC000000154418 342677738 /nfs/dbraw/zinc/67/77/38/342677738.db2.gz YXRIRKKHNGRGRZ-UHFFFAOYSA-N -1 0 247.172 1.846 50 0 BDAARM CC(=O)Oc1ccccc1/C=C/C(=O)[O-] ZINC000000156511 342677966 /nfs/dbraw/zinc/67/79/66/342677966.db2.gz UXOWQQCLBQBRMQ-VOTSOKGWSA-N -1 0 206.197 1.710 50 0 BDAARM CC(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000000156660 342678096 /nfs/dbraw/zinc/67/80/96/342678096.db2.gz VFHSJTHAMJFUCK-UHFFFAOYSA-N -1 0 213.620 1.997 50 0 BDAARM C[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000000170224 342679114 /nfs/dbraw/zinc/67/91/14/342679114.db2.gz XBPWPQBDGZFHQI-ZETCQYMHSA-N -1 0 205.213 1.116 50 0 BDAARM CC(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000000335969 342683810 /nfs/dbraw/zinc/68/38/10/342683810.db2.gz JQVGZRZJTCMBDQ-UHFFFAOYSA-N -1 0 208.213 1.743 50 0 BDAARM O=C([O-])c1cc2c(cc1Br)OCO2 ZINC000000400530 342686428 /nfs/dbraw/zinc/68/64/28/342686428.db2.gz NRFYLBBOKXFHMO-UHFFFAOYSA-N -1 0 245.028 1.876 50 0 BDAARM CC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000397874 342686444 /nfs/dbraw/zinc/68/64/44/342686444.db2.gz MDYLQMLQBRWTPP-BDAKNGLRSA-N -1 0 227.304 1.792 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2cccc(O)c2)N1 ZINC000000053466 342671528 /nfs/dbraw/zinc/67/15/28/342671528.db2.gz FJKZSYINEIIGCM-RKDXNWHRSA-N -1 0 225.269 1.180 50 0 BDAARM Cc1cccc(C)c1NC(=O)/C=C/C(=O)[O-] ZINC000000053900 342671696 /nfs/dbraw/zinc/67/16/96/342671696.db2.gz BDIUUKLMBSBKIT-VOTSOKGWSA-N -1 0 219.240 1.883 50 0 BDAARM Cc1ccc(C2=NN[C@@H](C(=O)[O-])C2)cc1 ZINC000001398623 342699949 /nfs/dbraw/zinc/69/99/49/342699949.db2.gz HOZQRLDSYOOAJM-SNVBAGLBSA-N -1 0 204.229 1.146 50 0 BDAARM CC(C)c1nnc([N-]S(C)(=O)=O)s1 ZINC000001459338 342701411 /nfs/dbraw/zinc/70/14/11/342701411.db2.gz DSHVSSFNAYOMRF-UHFFFAOYSA-N -1 0 221.307 1.033 50 0 BDAARM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000001576207 342703801 /nfs/dbraw/zinc/70/38/01/342703801.db2.gz KCQBCDKSKWGCEK-MWLCHTKSSA-N -1 0 235.283 1.916 50 0 BDAARM COC(=O)[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000002243691 342717446 /nfs/dbraw/zinc/71/74/46/342717446.db2.gz BUNMUVFKMIOEQU-JTQLQIEISA-N -1 0 222.240 1.493 50 0 BDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cccc(C)c1 ZINC000004235152 342745038 /nfs/dbraw/zinc/74/50/38/342745038.db2.gz KUIOWASZZVAXFA-AAEUAGOBSA-N -1 0 247.294 1.989 50 0 BDAARM CCOc1cc(CC(=O)[O-])ccc1OC ZINC000004237867 342745222 /nfs/dbraw/zinc/74/52/22/342745222.db2.gz KNQFGVWUKMDAGO-UHFFFAOYSA-N -1 0 210.229 1.721 50 0 BDAARM Cc1c(N)cnn1-c1ccc(C(=O)[O-])cc1 ZINC000004343295 342746959 /nfs/dbraw/zinc/74/69/59/342746959.db2.gz IOMHGYMGXPXYBZ-UHFFFAOYSA-N -1 0 217.228 1.461 50 0 BDAARM CC(C)(C)C(=O)Nc1cnccc1C(=O)[O-] ZINC000004352663 342747240 /nfs/dbraw/zinc/74/72/40/342747240.db2.gz GJUJFYBFOLWZSQ-UHFFFAOYSA-N -1 0 222.244 1.764 50 0 BDAARM O=C([O-])c1cccc(Cn2cncn2)c1 ZINC000004384471 342747361 /nfs/dbraw/zinc/74/73/61/342747361.db2.gz XIJPFLBFQZEFKY-UHFFFAOYSA-N -1 0 203.201 1.025 50 0 BDAARM Cc1ccc2nc(C(=O)[O-])n(CCO)c2c1 ZINC000004386892 342747532 /nfs/dbraw/zinc/74/75/32/342747532.db2.gz UQYSUVMVYJCJHD-UHFFFAOYSA-N -1 0 220.228 1.035 50 0 BDAARM CCCC(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000004550982 342749189 /nfs/dbraw/zinc/74/91/89/342749189.db2.gz DNKJTYBIVDBGMS-UHFFFAOYSA-N -1 0 223.228 1.829 50 0 BDAARM Nc1ccn(Cc2cccc(C(=O)[O-])c2)n1 ZINC000002537427 342723377 /nfs/dbraw/zinc/72/33/77/342723377.db2.gz UOJRNNDCMGKICB-UHFFFAOYSA-N -1 0 217.228 1.212 50 0 BDAARM COC(=O)C=C([O-])c1ccc(OC)cc1OC ZINC000002575884 342725161 /nfs/dbraw/zinc/72/51/61/342725161.db2.gz KYIVDZUWNQZWOH-UHFFFAOYSA-N -1 0 238.239 1.450 50 0 BDAARM O=C([O-])c1cnccc1Br ZINC000002599060 342725896 /nfs/dbraw/zinc/72/58/96/342725896.db2.gz CZLOEKRJQIAKFI-UHFFFAOYSA-N -1 0 202.007 1.542 50 0 BDAARM COC(OC)c1nc2ccccc2c(=O)[nH]1 ZINC000002627763 342726129 /nfs/dbraw/zinc/72/61/29/342726129.db2.gz DHYBRTPMJKSWII-UHFFFAOYSA-N -1 0 220.228 1.215 50 0 BDAARM CC(C)n1ncc2cc(C=CC(=O)[O-])c(=O)[nH]c21 ZINC000003888355 342739231 /nfs/dbraw/zinc/73/92/31/342739231.db2.gz GARHFICJXPAVMG-ONEGZZNKSA-N -1 0 247.254 1.403 50 0 BDAARM O=C1NC(=O)[C@@](c2ccccc2)(C(F)(F)F)N1 ZINC000006116530 342773773 /nfs/dbraw/zinc/77/37/73/342773773.db2.gz QQEXOAWOBWITDK-VIFPVBQESA-N -1 0 244.172 1.284 50 0 BDAARM Cc1nc2ccccc2n1CCC(=O)[O-] ZINC000006268934 342775858 /nfs/dbraw/zinc/77/58/58/342775858.db2.gz ZBXHHZFMTRYXCG-UHFFFAOYSA-O -1 0 205.237 1.239 50 0 BDAARM Cc1ccc(NC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000006300391 342776209 /nfs/dbraw/zinc/77/62/09/342776209.db2.gz VNMHKGDEXLJPNL-MRVPVSSYSA-N -1 0 222.244 1.590 50 0 BDAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccccc2)N1 ZINC000004719692 342750892 /nfs/dbraw/zinc/75/08/92/342750892.db2.gz KFBHKNNDUHHZKT-MNOVXSKESA-N -1 0 243.266 1.098 50 0 BDAARM CC(C)[C@H]1Nc2ccc(C(=O)[O-])cc2NC1=O ZINC000006707783 342781558 /nfs/dbraw/zinc/78/15/58/342781558.db2.gz CNVVKYUSJLGLKB-SNVBAGLBSA-N -1 0 234.255 1.773 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000006882687 342785718 /nfs/dbraw/zinc/78/57/18/342785718.db2.gz YGWZXQOYEBWUTH-BQBZGAKWSA-N -1 0 233.239 1.419 50 0 BDAARM CC(C)[C@H](NC(=O)CC1CCCC1)C(=O)[O-] ZINC000021965885 342789579 /nfs/dbraw/zinc/78/95/79/342789579.db2.gz CVQKUXZXBHQYBS-NSHDSACASA-N -1 0 227.304 1.792 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccc2cc[nH]c2c1 ZINC000022863972 342815844 /nfs/dbraw/zinc/81/58/44/342815844.db2.gz KYRDHXMKJFAXFA-ONEGZZNKSA-N -1 0 230.223 1.747 50 0 BDAARM O=C([O-])c1cnc2ccc(F)cc2c1O ZINC000008926573 342806036 /nfs/dbraw/zinc/80/60/36/342806036.db2.gz KCEJQAATYWQMMQ-UHFFFAOYSA-N -1 0 207.160 1.778 50 0 BDAARM Cc1cc(=O)c2ccc(C(=O)[O-])cc2[nH]1 ZINC000009880483 342828962 /nfs/dbraw/zinc/82/89/62/342828962.db2.gz BLZBIMQXWLFCHL-UHFFFAOYSA-N -1 0 203.197 1.535 50 0 BDAARM CC(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000011638377 342842237 /nfs/dbraw/zinc/84/22/37/342842237.db2.gz IENCDDAEDZXMHS-UHFFFAOYSA-N -1 0 221.256 1.908 50 0 BDAARM O=C([O-])c1csc(-c2ccccn2)n1 ZINC000011760869 342843336 /nfs/dbraw/zinc/84/33/36/342843336.db2.gz KJHHLEKGRGFSQH-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=C([O-])c1cccnc1NC[C@H]1CCCO1 ZINC000012474673 342852497 /nfs/dbraw/zinc/85/24/97/342852497.db2.gz BQBWXSICGUBTLT-MRVPVSSYSA-N -1 0 222.244 1.371 50 0 BDAARM O=C([O-])c1cccc(OC[C@H]2CCCO2)c1 ZINC000012505584 342852898 /nfs/dbraw/zinc/85/28/98/342852898.db2.gz PTDDXWIOXRBSEF-LLVKDONJSA-N -1 0 222.240 1.943 50 0 BDAARM O=C([O-])c1cc(-c2ccccc2)nc(=O)[nH]1 ZINC000013691344 342870373 /nfs/dbraw/zinc/87/03/73/342870373.db2.gz PDNUZJHKUILWDY-UHFFFAOYSA-N -1 0 216.196 1.135 50 0 BDAARM C[C@H](NC(=O)CO[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237410831 398334207 /nfs/dbraw/zinc/33/42/07/398334207.db2.gz VQEPAFVKPQSPLT-KXUCPTDWSA-N -1 0 243.303 1.171 50 0 BDAARM Cc1cnc2c(Cl)c(C(=O)[O-])nn2c1 ZINC000019093144 342941586 /nfs/dbraw/zinc/94/15/86/342941586.db2.gz PTHOBOPZSDCKOG-UHFFFAOYSA-N -1 0 211.608 1.389 50 0 BDAARM O=C([O-])c1ccc(OC[C@H]2CCCCO2)nc1 ZINC000019274430 342945040 /nfs/dbraw/zinc/94/50/40/342945040.db2.gz MBMHKLWHUFQCAS-SNVBAGLBSA-N -1 0 237.255 1.728 50 0 BDAARM O=C([O-])c1ccc2[nH]cc3c(=O)[nH]nc-3c2c1 ZINC000019702752 342953942 /nfs/dbraw/zinc/95/39/42/342953942.db2.gz ZLAWGVLKFZTCJV-UHFFFAOYSA-N -1 0 229.195 1.103 50 0 biogenic BDAARM CC(=O)N/C(=C/c1ccc(F)cc1)C(=O)[O-] ZINC000005685845 346903028 /nfs/dbraw/zinc/90/30/28/346903028.db2.gz PYGHVJGHLGZANA-UXBLZVDNSA-N -1 0 223.203 1.387 50 0 BDAARM Cc1cc(C(=O)[O-])n2nc(C(F)(F)F)nc2n1 ZINC000020216527 342977799 /nfs/dbraw/zinc/97/77/99/342977799.db2.gz SWQMWFCDBDSECP-UHFFFAOYSA-N -1 0 246.148 1.150 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2cccc(F)c2)C1 ZINC000020357892 342983523 /nfs/dbraw/zinc/98/35/23/342983523.db2.gz GLBREGGOOWJRED-MRVPVSSYSA-N -1 0 209.220 1.737 50 0 BDAARM O=C([O-])[C@@H]1CCCN1c1nc2cccnc2s1 ZINC000021163790 343005384 /nfs/dbraw/zinc/00/53/84/343005384.db2.gz KCGBPABTJYPDJN-QMMMGPOBSA-N -1 0 249.295 1.745 50 0 BDAARM Cc1sc(=O)n(CCC(=O)[O-])c1C ZINC000021949219 343028755 /nfs/dbraw/zinc/02/87/55/343028755.db2.gz LRVYRTVQFXRLMY-UHFFFAOYSA-N -1 0 201.247 1.001 50 0 BDAARM CCCc1noc2ncc(C(=O)[O-])cc12 ZINC000022171742 343043198 /nfs/dbraw/zinc/04/31/98/343043198.db2.gz TYSBQHKXOZUWCZ-UHFFFAOYSA-N -1 0 206.201 1.874 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)C1CCC1 ZINC000022150215 343042833 /nfs/dbraw/zinc/04/28/33/343042833.db2.gz GKNBMCJILWMJOO-SECBINFHSA-N -1 0 211.261 1.252 50 0 BDAARM CC(=O)Nc1cccc(NCCC(=O)[O-])c1 ZINC000001170336 343138630 /nfs/dbraw/zinc/13/86/30/343138630.db2.gz GVRPULKWEJMIDB-UHFFFAOYSA-N -1 0 222.244 1.532 50 0 BDAARM O=C([O-])[C@@H](O)Cc1ccccc1Cl ZINC000032009958 343227478 /nfs/dbraw/zinc/22/74/78/343227478.db2.gz VKBJHUQUYGMTJL-QMMMGPOBSA-N -1 0 200.621 1.328 50 0 BDAARM Cn1cc(-c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000032587177 343238203 /nfs/dbraw/zinc/23/82/03/343238203.db2.gz XDMCZHXKRGOPBI-UHFFFAOYSA-N -1 0 220.203 1.924 50 0 BDAARM O=C([O-])c1ccc2nc3n(c2c1)CCC3 ZINC000032628273 343238787 /nfs/dbraw/zinc/23/87/87/343238787.db2.gz OGSFCEONHCFKSQ-UHFFFAOYSA-N -1 0 202.213 1.681 50 0 BDAARM Cc1c(Cl)c(C(=O)[O-])ccc1S(C)(=O)=O ZINC000034258102 343267479 /nfs/dbraw/zinc/26/74/79/343267479.db2.gz RRFGGUXLGOVPOP-UHFFFAOYSA-N -1 0 248.687 1.750 50 0 BDAARM Nc1nnc([C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000000618751 343269950 /nfs/dbraw/zinc/26/99/50/343269950.db2.gz OCGXJHZVJKDUMY-NTSWFWBYSA-N -1 0 227.289 1.479 50 0 BDAARM O=C([O-])c1nn(-c2ccc(F)cc2F)cc1O ZINC000036721578 343322887 /nfs/dbraw/zinc/32/28/87/343322887.db2.gz VNRMGIYUWUEYEC-UHFFFAOYSA-N -1 0 240.165 1.554 50 0 BDAARM O=c1nc[n-]c2c(Br)csc21 ZINC000035270264 343291252 /nfs/dbraw/zinc/29/12/52/343291252.db2.gz SFFNZDXKMOSLNK-UHFFFAOYSA-N -1 0 231.074 1.747 50 0 BDAARM Cc1c2cc(O)ccc2oc(=O)c1C(=O)[O-] ZINC000036294205 343314515 /nfs/dbraw/zinc/31/45/15/343314515.db2.gz NAKYXMFBKWCPCQ-UHFFFAOYSA-N -1 0 220.180 1.505 50 0 BDAARM CC(C)[S@](=O)c1ccc(C(=O)[O-])cc1 ZINC000037855759 343358117 /nfs/dbraw/zinc/35/81/17/343358117.db2.gz RKAJHDSVSASBOZ-CQSZACIVSA-N -1 0 212.270 1.901 50 0 BDAARM Nc1n[nH]c(C(=O)[O-])c1-c1ccccc1 ZINC000038478100 343375310 /nfs/dbraw/zinc/37/53/10/343375310.db2.gz NSSYNYUJSLLDSU-UHFFFAOYSA-N -1 0 203.201 1.357 50 0 BDAARM O=C([O-])c1cn2cc(Br)cnc2n1 ZINC000038529160 343375837 /nfs/dbraw/zinc/37/58/37/343375837.db2.gz ANWPVVPBURUUHH-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM Cn1c(Br)ccc1C(=O)[O-] ZINC000037624180 343349673 /nfs/dbraw/zinc/34/96/73/343349673.db2.gz PKYXJNNPHVMPDQ-UHFFFAOYSA-N -1 0 204.023 1.486 50 0 BDAARM Cc1ccc(CC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000020285050 178521418 /nfs/dbraw/zinc/52/14/18/178521418.db2.gz UQEVEUMFUJMAOJ-SECBINFHSA-N -1 0 221.256 1.127 50 0 BDAARM O=C([O-])c1ncc(Br)cc1F ZINC000039934076 343393355 /nfs/dbraw/zinc/39/33/55/343393355.db2.gz JXHUXOAJAYWMHK-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM Cn1cc(C2NC(=O)[N-]C(=O)N2)c2ccccc21 ZINC000000507410 346936186 /nfs/dbraw/zinc/93/61/86/346936186.db2.gz WVZUOFZTLIDQSG-UHFFFAOYSA-N -1 0 244.254 1.199 50 0 BDAARM COC(=O)C(C)=C([O-])c1ccc(OC)cc1 ZINC000041239384 343417385 /nfs/dbraw/zinc/41/73/85/343417385.db2.gz KKCHBAKJRXLXAS-QMMMGPOBSA-N -1 0 222.240 1.687 50 0 BDAARM CC(C)OCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263513946 136374813 /nfs/dbraw/zinc/37/48/13/136374813.db2.gz OFDSRSQYLHEBOM-VHSXEESVSA-N -1 0 243.303 1.123 50 0 BDAARM COC(=O)N=c1[nH]c2c(s1)CC[C@H]2C(=O)[O-] ZINC000043830609 343485346 /nfs/dbraw/zinc/48/53/46/343485346.db2.gz HZWABAZZCNOEQR-SCSAIBSYSA-N -1 0 242.256 1.436 50 0 BDAARM Cc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])c(C)c1 ZINC000000540583 346994294 /nfs/dbraw/zinc/99/42/94/346994294.db2.gz AHDXXPLHSBPXDF-VIFPVBQESA-N -1 0 236.271 1.898 50 0 biogenic BDAARM CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000000090954 344330002 /nfs/dbraw/zinc/33/00/02/344330002.db2.gz KOETZDWONBWKDD-UHFFFAOYSA-N -1 0 241.312 1.538 50 0 BDAARM CCCCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000011566519 344375495 /nfs/dbraw/zinc/37/54/95/344375495.db2.gz JXAMEVSHGSQVMQ-UHFFFAOYSA-N -1 0 213.277 1.500 50 0 BDAARM Cc1ccc(Cn2nn[n-]c2=S)cc1 ZINC000000104591 178667556 /nfs/dbraw/zinc/66/75/56/178667556.db2.gz BYYZUIHQSDOHHN-UHFFFAOYSA-N -1 0 206.274 1.319 50 0 BDAARM COC[C@H]1C[C@@]1(C(=O)[O-])c1ccccc1 ZINC000072233320 344518720 /nfs/dbraw/zinc/51/87/20/344518720.db2.gz AKJQYQQOUSQYDX-ZYHUDNBSSA-N -1 0 206.241 1.675 50 0 BDAARM O=C([O-])c1ccnc(C(F)(F)F)c1[N+](=O)[O-] ZINC000396118205 344607497 /nfs/dbraw/zinc/60/74/97/344607497.db2.gz YXHYQRNBSYUAHQ-UHFFFAOYSA-N -1 0 236.105 1.707 50 0 BDAARM Cc1ccc(Nc2nncc(=O)[n-]2)cc1C ZINC000005932019 178783725 /nfs/dbraw/zinc/78/37/25/178783725.db2.gz OAMGKXQDHFLHPI-UHFFFAOYSA-N -1 0 216.244 1.938 50 0 BDAARM Cc1ccc(O)c(C(=O)CCC(=O)[O-])c1 ZINC000002163730 178784222 /nfs/dbraw/zinc/78/42/22/178784222.db2.gz NUMGKJNSGGELIA-UHFFFAOYSA-N -1 0 208.213 1.748 50 0 BDAARM Cc1cccc(C)c1-n1nn[n-]c1=S ZINC000006557025 179028733 /nfs/dbraw/zinc/02/87/33/179028733.db2.gz BPNGKLFVOMPRJQ-UHFFFAOYSA-N -1 0 206.274 1.942 50 0 BDAARM Cc1cc([N-]S(=O)(=O)c2cccs2)n[nH]1 ZINC000000164973 346402027 /nfs/dbraw/zinc/40/20/27/346402027.db2.gz OLCCZAXZENQOBT-UHFFFAOYSA-N -1 0 243.313 1.580 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccnc1 ZINC000004675877 346605652 /nfs/dbraw/zinc/60/56/52/346605652.db2.gz AMJTXOKTLVJSQV-MRVPVSSYSA-N -1 0 222.244 1.521 50 0 BDAARM Cc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000000236914 179126850 /nfs/dbraw/zinc/12/68/50/179126850.db2.gz VRJAEQGSNATVEE-UHFFFAOYSA-N -1 0 207.229 1.798 50 0 BDAARM Cc1cccc(NC(=O)N[C@@H](C)C(=O)[O-])c1C ZINC000000545131 179135192 /nfs/dbraw/zinc/13/51/92/179135192.db2.gz GQPDBMOZHXFOFJ-VIFPVBQESA-N -1 0 236.271 1.898 50 0 BDAARM Cn1ccc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000016971997 347215933 /nfs/dbraw/zinc/21/59/33/347215933.db2.gz VMXDKIKHYCURNR-UHFFFAOYSA-N -1 0 237.284 1.221 50 0 BDAARM Cc1ccccc1CNC(=O)C1(C(=O)[O-])CC1 ZINC000050291265 179278584 /nfs/dbraw/zinc/27/85/84/179278584.db2.gz ZRJDEOZVQDFPRH-UHFFFAOYSA-N -1 0 233.267 1.476 50 0 BDAARM Cc1ccccc1Cn1cc(C(=O)[O-])nn1 ZINC000050213498 179293772 /nfs/dbraw/zinc/29/37/72/179293772.db2.gz WEKWBHDLRBLNOC-UHFFFAOYSA-N -1 0 217.228 1.333 50 0 BDAARM Cc1ccccc1NC(=O)/C=C/C(=O)[O-] ZINC000000098834 179297434 /nfs/dbraw/zinc/29/74/34/179297434.db2.gz RGFQVACBIDGKBN-VOTSOKGWSA-N -1 0 205.213 1.574 50 0 BDAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCC(=O)[O-] ZINC000237678931 179348748 /nfs/dbraw/zinc/34/87/48/179348748.db2.gz TZLIGMOMYQKHHF-NEPJUHHUSA-N -1 0 247.294 1.689 50 0 BDAARM [O-]n1nnc2cc(C(F)(F)F)ccc21 ZINC000000032668 190968881 /nfs/dbraw/zinc/96/88/81/190968881.db2.gz GLZWHGWUBRATFM-UHFFFAOYSA-N -1 0 203.123 1.687 50 0 BDAARM O=C([O-])[C@H]1CC(=O)C[C@H]1c1ccccc1 ZINC000016887606 362948186 /nfs/dbraw/zinc/94/81/86/362948186.db2.gz MRQNYXGJZLWYHT-QWRGUYRKSA-N -1 0 204.225 1.834 50 0 BDAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000021927724 350059507 /nfs/dbraw/zinc/05/95/07/350059507.db2.gz ALVIMIUWKRSUNY-UHFFFAOYSA-N -1 0 237.284 1.221 50 0 BDAARM Cc1nc(NC(=O)CCC(=O)[O-])sc1C ZINC000000278016 180007092 /nfs/dbraw/zinc/00/70/92/180007092.db2.gz JXKCUPZVQVCDTB-UHFFFAOYSA-N -1 0 228.273 1.563 50 0 BDAARM Cc1nc2ccccn2c1CCC(=O)[O-] ZINC000019624118 180107539 /nfs/dbraw/zinc/10/75/39/180107539.db2.gz DKYCQEUHOOITEU-UHFFFAOYSA-N -1 0 204.229 1.660 50 0 BDAARM CC(=O)Nc1cccc2c1ccn2CC(=O)[O-] ZINC000096113708 191055519 /nfs/dbraw/zinc/05/55/19/191055519.db2.gz VPHYPSQYMVEFCA-UHFFFAOYSA-N -1 0 232.239 1.684 50 0 BDAARM COC(=O)[C@H]1C(=O)CC(=O)C[C@@H]1c1ccco1 ZINC000100319608 191062970 /nfs/dbraw/zinc/06/29/70/191062970.db2.gz ULMYPZXHFOQNNK-LDYMZIIASA-N -1 0 236.223 1.084 50 0 BDAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[S-] ZINC000038237000 350310825 /nfs/dbraw/zinc/31/08/25/350310825.db2.gz GCRSLQLXQJMUGN-ZETCQYMHSA-N -1 0 233.333 1.992 50 0 BDAARM Cc1nn([C@@H](C)C(=O)[O-])c(=O)c2ccccc12 ZINC000004109114 180392370 /nfs/dbraw/zinc/39/23/70/180392370.db2.gz WQKSXQSNUARHNX-QMMMGPOBSA-N -1 0 232.239 1.351 50 0 BDAARM Cc1nn(CCC(=O)[O-])c(C)c1Br ZINC000000818918 180388367 /nfs/dbraw/zinc/38/83/67/180388367.db2.gz QTOFWFGESPQEHM-UHFFFAOYSA-N -1 0 247.092 1.737 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000051603977 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0 BDAARM COC(=O)[C@@H]1CC=C[C@H](C)[C@]1(C)C(=O)[O-] ZINC000045027985 356372129 /nfs/dbraw/zinc/37/21/29/356372129.db2.gz MHHVBCDDBZTFFN-LAEOZQHASA-N -1 0 212.245 1.463 50 0 BDAARM CC[C@@H](C(=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000096878206 538616105 /nfs/dbraw/zinc/61/61/05/538616105.db2.gz LEEYCUURZBGUFT-SECBINFHSA-N -1 0 243.303 1.964 50 0 BDAARM O=S(=O)([O-])c1cc(O)cc2ccccc21 ZINC000005935114 357337545 /nfs/dbraw/zinc/33/75/45/357337545.db2.gz RZMZJYAMZGWBLB-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM O=C([O-])[C@H](CC(=O)c1ccccc1)n1ccnc1 ZINC000021364592 538869615 /nfs/dbraw/zinc/86/96/15/538869615.db2.gz CBOHIRQIRIFHDB-NSHDSACASA-N -1 0 244.250 1.782 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)n1cccn1 ZINC000006343029 357994496 /nfs/dbraw/zinc/99/44/96/357994496.db2.gz OSMWZCZLRCBONG-IUCAKERBSA-N -1 0 220.228 1.190 50 0 BDAARM O=C([O-])C1(C(=O)Nc2c(F)cccc2F)CC1 ZINC000050290759 358722449 /nfs/dbraw/zinc/72/24/49/358722449.db2.gz HHZNJFSZPFMZLL-UHFFFAOYSA-N -1 0 241.193 1.768 50 0 BDAARM CC[C@@H](C)NC(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000002419310 370667550 /nfs/dbraw/zinc/66/75/50/370667550.db2.gz MNNVREBBUWVNQK-SFYZADRCSA-N -1 0 248.348 1.290 50 0 BDAARM NC(=S)/C(=C\c1ccccc1O)C(=O)[O-] ZINC000003407342 181315022 /nfs/dbraw/zinc/31/50/22/181315022.db2.gz QIKZKJFWFMPDKH-FNORWQNLSA-N -1 0 223.253 1.146 50 0 BDAARM COc1cc(C)cc(OC)c1-c1n[nH]c(=O)[n-]1 ZINC000426368281 200981970 /nfs/dbraw/zinc/98/19/70/200981970.db2.gz KNODPSPJWJOSOR-UHFFFAOYSA-N -1 0 235.243 1.503 50 0 BDAARM CC(C)(C(=O)N1CC=C[C@@H]1C(=O)[O-])n1cccc1 ZINC000426513774 200992511 /nfs/dbraw/zinc/99/25/11/200992511.db2.gz WNANNCAGZOHPQX-SNVBAGLBSA-N -1 0 248.282 1.075 50 0 BDAARM NC1(C(F)(F)F)CCC(C(=O)[O-])CC1 ZINC000068576283 181330970 /nfs/dbraw/zinc/33/09/70/181330970.db2.gz PYOCUKAOJZKURC-UHFFFAOYSA-N -1 0 211.183 1.521 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)C1CCCCC1 ZINC000036923206 361579369 /nfs/dbraw/zinc/57/93/69/361579369.db2.gz BJNSDUSRFDFWKO-UHFFFAOYSA-N -1 0 227.304 1.890 50 0 BDAARM CCc1onc(-c2cnn(CC)c2)c1C(=O)[O-] ZINC000234200527 541511965 /nfs/dbraw/zinc/51/19/65/541511965.db2.gz NQMDYZCVVMIIFJ-UHFFFAOYSA-N -1 0 235.243 1.819 50 0 BDAARM CC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000002393364 367712315 /nfs/dbraw/zinc/71/23/15/367712315.db2.gz AHZMCJBRKVTAMV-SFYZADRCSA-N -1 0 216.281 1.193 50 0 BDAARM Cn1cc(C(=O)[O-])c(C2CCOCC2)n1 ZINC000147089386 368395482 /nfs/dbraw/zinc/39/54/82/368395482.db2.gz QTJMXWPMPORTEE-UHFFFAOYSA-N -1 0 210.233 1.012 50 0 BDAARM O=C([O-])[C@H]1c2ccccc2C(=O)OC12CCC2 ZINC000584880062 368858035 /nfs/dbraw/zinc/85/80/35/368858035.db2.gz LSIJUKOWOFCARU-SNVBAGLBSA-N -1 0 232.235 1.948 50 0 BDAARM CCCc1cnc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc1 ZINC000584899188 369046971 /nfs/dbraw/zinc/04/69/71/369046971.db2.gz PXCHPARBEVQNPA-URLYPYJESA-N -1 0 247.298 1.196 50 0 BDAARM CN(C)[C@H](C(=O)[O-])c1noc2ccccc21 ZINC000114519927 370570256 /nfs/dbraw/zinc/57/02/56/370570256.db2.gz IVSKGCHNMFGSTB-JTQLQIEISA-N -1 0 220.228 1.515 50 0 BDAARM 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/nfs/dbraw/zinc/50/76/97/182507697.db2.gz OAYHQYHXYCIVDZ-QMMMGPOBSA-N -1 0 227.166 1.542 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000019438167 182508861 /nfs/dbraw/zinc/50/88/61/182508861.db2.gz PJUQXOAKQPTOKA-MNOVXSKESA-N -1 0 237.299 1.808 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000011890826 182511005 /nfs/dbraw/zinc/51/10/05/182511005.db2.gz YQFFDJLZZJRSFG-LBPRGKRZSA-N -1 0 247.294 1.695 50 0 BDAARM O=C([O-])[C@@H](c1ccccc1)N1CCCC1=O ZINC000036960405 182505140 /nfs/dbraw/zinc/50/51/40/182505140.db2.gz JEZXSMOLJOXBRE-LLVKDONJSA-N -1 0 219.240 1.435 50 0 BDAARM O=C([O-])[C@@H]1C[C@]12CCOc1ccccc12 ZINC000052126525 182521923 /nfs/dbraw/zinc/52/19/23/182521923.db2.gz JXJOMJKPHPZPAD-CABZTGNLSA-N -1 0 204.225 1.811 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2ccc(F)cc2F)N1 ZINC000000138376 182544382 /nfs/dbraw/zinc/54/43/82/182544382.db2.gz XSVQIJYCIWPGQR-RKDXNWHRSA-N -1 0 245.250 1.753 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000000266757 182531297 /nfs/dbraw/zinc/53/12/97/182531297.db2.gz DSIJZEFRTBQDCQ-VIFPVBQESA-N -1 0 225.288 1.642 50 0 BDAARM O=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000009189797 182549489 /nfs/dbraw/zinc/54/94/89/182549489.db2.gz MVEKIIOGRJIBLX-UHFFFAOYSA-N -1 0 246.222 1.546 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCCCCCC1 ZINC000006760965 182545220 /nfs/dbraw/zinc/54/52/20/182545220.db2.gz UZOXCZPEXYPXNF-QWRGUYRKSA-N -1 0 239.315 1.936 50 0 BDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCO2)cc1 ZINC000001459351 182566676 /nfs/dbraw/zinc/56/66/76/182566676.db2.gz LEZUBRNOWKMKJV-LLVKDONJSA-N -1 0 249.266 1.180 50 0 BDAARM O=C([O-])c1ccc(Oc2ncccn2)cc1 ZINC000000168162 182570733 /nfs/dbraw/zinc/57/07/33/182570733.db2.gz UCMUIXMNKTUUEV-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000029326734 182572108 /nfs/dbraw/zinc/57/21/08/182572108.db2.gz KJNULOCCYWWBIS-UHFFFAOYSA-N -1 0 244.250 1.431 50 0 BDAARM O=C([O-])c1cccc(-c2ccncn2)c1 ZINC000020418183 182574977 /nfs/dbraw/zinc/57/49/77/182574977.db2.gz PANQWANKNFOHBZ-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM O=C([O-])c1ccc(-c2ncccn2)s1 ZINC000020357771 182561904 /nfs/dbraw/zinc/56/19/04/182561904.db2.gz STGNGJREZGFXOT-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=P1([O-])OCC2(C[C@@H]3C=C[C@H]2C3)CO1 ZINC000086012866 182881282 /nfs/dbraw/zinc/88/12/82/182881282.db2.gz KFMPMTRRWRSWAY-SFYZADRCSA-N -1 0 216.173 1.716 50 0 BDAARM CCCN1C(=O)c2cc(C(=O)[O-])ccc2[C@@H]1O ZINC000004991841 169185336 /nfs/dbraw/zinc/18/53/36/169185336.db2.gz YKNNCNNULDQHDW-JTQLQIEISA-N -1 0 235.239 1.242 50 0 BDAARM CCCNC(=O)CC(C)(C)CC(=O)[O-] ZINC000020123793 169213982 /nfs/dbraw/zinc/21/39/82/169213982.db2.gz PONJQAHLNCDSFC-UHFFFAOYSA-N -1 0 201.266 1.404 50 0 BDAARM CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000006043291 169245255 /nfs/dbraw/zinc/24/52/55/169245255.db2.gz DUWRESTURQQSES-BDAKNGLRSA-N -1 0 213.277 1.404 50 0 BDAARM CCC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000037022083 169272917 /nfs/dbraw/zinc/27/29/17/169272917.db2.gz FPEJJLJSIYAQPY-UHFFFAOYSA-N -1 0 235.255 1.653 50 0 BDAARM CCCSCC(=O)NCC1(C(=O)[O-])CCC1 ZINC000095425495 169336384 /nfs/dbraw/zinc/33/63/84/169336384.db2.gz HUZDBUMLNWUMEN-UHFFFAOYSA-N -1 0 245.344 1.501 50 0 BDAARM CCC[C@@H](CC(=O)[O-])NC(=O)[C@H](C)CC ZINC000097022274 169375629 /nfs/dbraw/zinc/37/56/29/169375629.db2.gz FRWYLLBYNMMSFW-BDAKNGLRSA-N -1 0 215.293 1.792 50 0 BDAARM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)[O-])C1 ZINC000066327976 166651102 /nfs/dbraw/zinc/65/11/02/166651102.db2.gz SQAMEQQMXRHVTC-NSHDSACASA-N -1 0 245.275 1.097 50 0 BDAARM CC(C)(C)SCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000004109899 166689271 /nfs/dbraw/zinc/68/92/71/166689271.db2.gz NDKBLRFRBGWKTG-JGVFFNPUSA-N -1 0 245.344 1.355 50 0 BDAARM O=C([O-])CSCC(=O)c1ccccc1 ZINC000000036415 383818805 /nfs/dbraw/zinc/81/88/05/383818805.db2.gz NNNVHZPLMZHPBQ-UHFFFAOYSA-N -1 0 210.254 1.687 50 0 in-vitro BDAARM O=C([O-])CNc1nc2ccccc2s1 ZINC000000186085 383841864 /nfs/dbraw/zinc/84/18/64/383841864.db2.gz NQWYPNHFJRHOKO-UHFFFAOYSA-N -1 0 208.242 1.793 50 0 BDAARM O=P1([O-])COc2ccccc2OC1 ZINC000000190559 383842871 /nfs/dbraw/zinc/84/28/71/383842871.db2.gz TUTPVENANPCZMJ-UHFFFAOYSA-N -1 0 200.130 1.643 50 0 BDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000000256723 383847870 /nfs/dbraw/zinc/84/78/70/383847870.db2.gz UYUCNRQZWVZMSA-UHFFFAOYSA-N -1 0 236.252 1.785 50 0 BDAARM Cc1cc(C(F)(F)F)nn1CC(=O)[O-] ZINC000000265755 383847965 /nfs/dbraw/zinc/84/79/65/383847965.db2.gz RBHQAIFXLJIFFM-UHFFFAOYSA-N -1 0 208.139 1.295 50 0 BDAARM O=C([O-])CCn1c2ccccc2nc1CO ZINC000000837486 383880299 /nfs/dbraw/zinc/88/02/99/383880299.db2.gz PFJKYWHOQRJTOU-UHFFFAOYSA-N -1 0 220.228 1.003 50 0 BDAARM Cc1nnc(SCC(=O)[O-])n1-c1ccccc1 ZINC000000422531 383865858 /nfs/dbraw/zinc/86/58/58/383865858.db2.gz QZDIYPFBSRPWTC-UHFFFAOYSA-N -1 0 249.295 1.752 50 0 BDAARM O=C([O-])Cn1c(=O)sc2cccc(Cl)c21 ZINC000000405492 383866251 /nfs/dbraw/zinc/86/62/51/383866251.db2.gz HYJSGOXICXYZGS-UHFFFAOYSA-N -1 0 243.671 1.801 50 0 in-vitro BDAARM O=C([O-])CCc1cnc2ccccc2n1 ZINC000001605918 383913109 /nfs/dbraw/zinc/91/31/09/383913109.db2.gz NVVKLYVOIQWTAR-UHFFFAOYSA-N -1 0 202.213 1.647 50 0 BDAARM COc1ncc(Br)cc1CC(=O)[O-] ZINC000088613713 383918414 /nfs/dbraw/zinc/91/84/14/383918414.db2.gz IKNLMQJLSHPJMJ-UHFFFAOYSA-N -1 0 246.060 1.480 50 0 BDAARM O=C([O-])COc1ccc(F)c(Cl)c1 ZINC000001706135 383925030 /nfs/dbraw/zinc/92/50/30/383925030.db2.gz JHDKSQRVPAURMA-UHFFFAOYSA-N -1 0 204.584 1.943 50 0 BDAARM O=C([O-])Cc1csc(-n2cccc2)n1 ZINC000001519978 383902716 /nfs/dbraw/zinc/90/27/16/383902716.db2.gz MMPMGAAYJDEKAT-UHFFFAOYSA-N -1 0 208.242 1.561 50 0 BDAARM Cc1ccn([C@@H](C)c2n[n-]c(=S)o2)n1 ZINC000002732038 383985818 /nfs/dbraw/zinc/98/58/18/383985818.db2.gz RQBQRWNNGGFVAG-LURJTMIESA-N -1 0 210.262 1.473 50 0 BDAARM O=C([O-])CCC(=O)NCCCc1ccccc1 ZINC000002085433 383949648 /nfs/dbraw/zinc/94/96/48/383949648.db2.gz GLLXVCMBRKDNSA-UHFFFAOYSA-N -1 0 235.283 1.600 50 0 biogenic BDAARM O=C([O-])/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000002339227 383959251 /nfs/dbraw/zinc/95/92/51/383959251.db2.gz XEHHMBGZXVAYPN-VURMDHGXSA-N -1 0 249.247 1.855 50 0 BDAARM COC(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000002513856 383968592 /nfs/dbraw/zinc/96/85/92/383968592.db2.gz PMYOJVWSJTZGDJ-UHFFFAOYSA-N -1 0 210.185 1.180 50 0 BDAARM Cc1cc(C(F)(F)F)nn1CCC(=O)[O-] ZINC000002549552 383974274 /nfs/dbraw/zinc/97/42/74/383974274.db2.gz IQEOMEFTMGDULB-UHFFFAOYSA-N -1 0 222.166 1.685 50 0 BDAARM O=C([O-])Cc1nnc(-c2ccccc2)[nH]1 ZINC000002559717 383975307 /nfs/dbraw/zinc/97/53/07/383975307.db2.gz LUBYKFDMRGPUHL-UHFFFAOYSA-N -1 0 203.201 1.099 50 0 BDAARM O=C([O-])/C=C/c1cnn(-c2ccccc2)c1 ZINC000004218467 384047043 /nfs/dbraw/zinc/04/70/43/384047043.db2.gz KCURVTCIOHHDNT-VOTSOKGWSA-N -1 0 214.224 1.970 50 0 BDAARM CC([O-])=c1sc2cc(C)nc(=N)n2c1=O ZINC000004486564 384063720 /nfs/dbraw/zinc/06/37/20/384063720.db2.gz XCUZGHDGULIDHR-UHFFFAOYSA-N -1 0 223.257 1.092 50 0 BDAARM 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ZINC000257329300 384226741 /nfs/dbraw/zinc/22/67/41/384226741.db2.gz XJGYHXUKSXKYFJ-GFCCVEGCSA-N -1 0 235.283 1.015 50 0 BDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000408513333 384262585 /nfs/dbraw/zinc/26/25/85/384262585.db2.gz SFVZBMVTIRQVCM-YGOYTEALSA-N -1 0 243.303 1.171 50 0 BDAARM CC(C)(C)c1cc(C(=O)[O-])nn2cnnc12 ZINC000012243836 384311291 /nfs/dbraw/zinc/31/12/91/384311291.db2.gz HRMOKNJRTIDFBM-UHFFFAOYSA-N -1 0 220.232 1.120 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000097018095 384284377 /nfs/dbraw/zinc/28/43/77/384284377.db2.gz UVMQIMPURICGNG-MWLCHTKSSA-N -1 0 239.315 1.888 50 0 BDAARM O=C([O-])c1cc2ccc(F)cc2oc1=O ZINC000075882827 384344880 /nfs/dbraw/zinc/34/48/80/384344880.db2.gz SQXKJLLEPSNOPL-UHFFFAOYSA-N -1 0 208.144 1.630 50 0 BDAARM Cn1c2ccccc2nc1C(F)(F)C(=O)[O-] ZINC000094986237 384327889 /nfs/dbraw/zinc/32/78/89/384327889.db2.gz XHHCZBNFPGQOLK-UHFFFAOYSA-N -1 0 226.182 1.750 50 0 BDAARM Cc1cc(C)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)o1 ZINC000237802769 384391706 /nfs/dbraw/zinc/39/17/06/384391706.db2.gz VWNKWJWWWJQOPB-SECBINFHSA-N -1 0 237.255 1.443 50 0 BDAARM O=C([O-])CCCC(=O)OCc1ccccc1 ZINC000014649256 384400944 /nfs/dbraw/zinc/40/09/44/384400944.db2.gz WRSDJJXJDSEUSQ-UHFFFAOYSA-N -1 0 222.240 1.985 50 0 BDAARM O=C([O-])CCCn1[nH]c2ccccc2c1=O ZINC000045923106 384416133 /nfs/dbraw/zinc/41/61/33/384416133.db2.gz BUSPNFHPKPBUAR-UHFFFAOYSA-N -1 0 220.228 1.194 50 0 BDAARM CC(C)(C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC000095495972 384378117 /nfs/dbraw/zinc/37/81/17/384378117.db2.gz NPQFJFVPQZHGRD-UHFFFAOYSA-N -1 0 223.228 1.735 50 0 BDAARM CC(C)(C)OC(=O)Nc1c[nH]nc1C(=O)[O-] ZINC000095629937 384385114 /nfs/dbraw/zinc/38/51/14/384385114.db2.gz VPTXKOPDNQVXFD-UHFFFAOYSA-N -1 0 227.220 1.455 50 0 BDAARM Cc1cc(C)n(C2CC2)c(=O)c1C(=O)[O-] ZINC000049813710 384567998 /nfs/dbraw/zinc/56/79/98/384567998.db2.gz ZROZMZYAACOMQV-UHFFFAOYSA-N -1 0 207.229 1.498 50 0 BDAARM COc1cc(CC(=O)[O-])c(F)c(F)c1C ZINC000098210785 384603637 /nfs/dbraw/zinc/60/36/37/384603637.db2.gz YRDGOTDIHBABOY-UHFFFAOYSA-N -1 0 216.183 1.909 50 0 BDAARM Cc1c(C(=O)[O-])nnn1CC1CCCC1 ZINC000050215157 384608530 /nfs/dbraw/zinc/60/85/30/384608530.db2.gz NJUASTMYZBXDRQ-UHFFFAOYSA-N -1 0 209.249 1.475 50 0 BDAARM O=C([O-])CCS(=O)(=O)Nc1ccc(F)cc1 ZINC000011847652 384617833 /nfs/dbraw/zinc/61/78/33/384617833.db2.gz NLBRWPGTVQEHAP-UHFFFAOYSA-N -1 0 247.247 1.042 50 0 BDAARM Cc1ccc(C(=O)[O-])cc1-n1cnnc1 ZINC000051332580 384664861 /nfs/dbraw/zinc/66/48/61/384664861.db2.gz FSUAKONIJANNFL-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])Cc1cccc(N2CCOCC2)c1 ZINC000082364652 384674145 /nfs/dbraw/zinc/67/41/45/384674145.db2.gz PHYABWXDVNSHNW-UHFFFAOYSA-N -1 0 221.256 1.150 50 0 BDAARM Nc1c(Cl)cc(Cl)nc1C(=O)[O-] ZINC000098178251 384677355 /nfs/dbraw/zinc/67/73/55/384677355.db2.gz OVJPREKPWUUJQJ-UHFFFAOYSA-N -1 0 207.016 1.669 50 0 BDAARM Cc1nnc(NCCC2=CCCCC2)[n-]c1=O ZINC000011903666 384685628 /nfs/dbraw/zinc/68/56/28/384685628.db2.gz NRSZWZCKWLSFIU-UHFFFAOYSA-N -1 0 234.303 1.776 50 0 BDAARM CCc1ccccc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000084199350 384760163 /nfs/dbraw/zinc/76/01/63/384760163.db2.gz NYGLNWYIOPVZNO-NWDGAFQWSA-N -1 0 247.294 1.586 50 0 BDAARM CC(C)=CC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000061608445 384800432 /nfs/dbraw/zinc/80/04/32/384800432.db2.gz KLTBNDCTHDNEQM-LBPRGKRZSA-N -1 0 247.294 1.937 50 0 BDAARM Cc1ccc2c(c1)C[C@H](C(=O)[O-])CC2=O ZINC000084248904 384852855 /nfs/dbraw/zinc/85/28/55/384852855.db2.gz DQANNWAXNIEKIL-VIFPVBQESA-N -1 0 204.225 1.825 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000101777788 384865426 /nfs/dbraw/zinc/86/54/26/384865426.db2.gz QUPIUYNKDWUNKQ-IVZWLZJFSA-N -1 0 243.303 1.123 50 0 BDAARM O=Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000031973653 385115233 /nfs/dbraw/zinc/11/52/33/385115233.db2.gz SKBRIWPGEGSGJR-QMMMGPOBSA-N -1 0 223.228 1.393 50 0 BDAARM O=C([O-])/C=C\C(=O)Nc1ccccc1Cl ZINC000031719756 385100888 /nfs/dbraw/zinc/10/08/88/385100888.db2.gz YZGAQJUBGHWISG-WAYWQWQTSA-N -1 0 225.631 1.919 50 0 BDAARM Cc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])co1 ZINC000129805805 385190697 /nfs/dbraw/zinc/19/06/97/385190697.db2.gz XBCABLQRQJLOPL-JTQLQIEISA-N -1 0 237.255 1.667 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062878493 385193399 /nfs/dbraw/zinc/19/33/99/385193399.db2.gz DTLBJDMWGRKALK-LLVKDONJSA-N -1 0 229.276 1.718 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062878491 385193932 /nfs/dbraw/zinc/19/39/32/385193932.db2.gz DTLBJDMWGRKALK-NSHDSACASA-N -1 0 229.276 1.718 50 0 BDAARM O=C([O-])c1ccncc1-c1cccc(CO)c1 ZINC000065347295 385301565 /nfs/dbraw/zinc/30/15/65/385301565.db2.gz YTODBIIMKRCNKY-UHFFFAOYSA-N -1 0 229.235 1.939 50 0 BDAARM O=C([O-])c1ccc(Oc2ccncc2)nc1 ZINC000263623868 386157748 /nfs/dbraw/zinc/15/77/48/386157748.db2.gz LKMDLHMRHYXVSL-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM CCO[N-]C(=O)COc1ccccc1OC ZINC000040489216 386205627 /nfs/dbraw/zinc/20/56/27/386205627.db2.gz VDSBZRXINHBGTK-UHFFFAOYSA-N -1 0 225.244 1.142 50 0 BDAARM CC[C@H](OC)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000262151818 386242492 /nfs/dbraw/zinc/24/24/92/386242492.db2.gz RKUOJROMLRPUAD-JTQLQIEISA-N -1 0 237.255 1.748 50 0 BDAARM O=C([O-])CCOCCOCc1ccccc1 ZINC000306498081 386719112 /nfs/dbraw/zinc/71/91/12/386719112.db2.gz SUIUDJXITUDGOR-UHFFFAOYSA-N -1 0 224.256 1.695 50 0 BDAARM O=C([O-])c1c(C(F)F)nc2ccccn21 ZINC000536953151 387165083 /nfs/dbraw/zinc/16/50/83/387165083.db2.gz WHZCVAFPJKFQLH-UHFFFAOYSA-N -1 0 212.155 1.970 50 0 BDAARM O=C([O-])[C@@H]1CN(c2ncccn2)CC12CCC2 ZINC000575608894 387400786 /nfs/dbraw/zinc/40/07/86/387400786.db2.gz PTQPESQPAXLMQO-VIFPVBQESA-N -1 0 233.271 1.168 50 0 BDAARM Cn1ncc(C(=O)OC(C)(C)C)c1C(=O)[O-] ZINC000313229506 387542626 /nfs/dbraw/zinc/54/26/26/387542626.db2.gz OJLBVZVOWPHOHO-UHFFFAOYSA-N -1 0 226.232 1.074 50 0 BDAARM O=C([O-])c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC000390821996 387839580 /nfs/dbraw/zinc/83/95/80/387839580.db2.gz BOFTXGHXEDVCKC-UHFFFAOYSA-N -1 0 231.133 1.675 50 0 BDAARM Cc1cc(C(=O)NCCCC(=O)[O-])c(C)o1 ZINC000002578341 177782457 /nfs/dbraw/zinc/78/24/57/177782457.db2.gz KRTLPGFYQHBOMC-UHFFFAOYSA-N -1 0 225.244 1.491 50 0 BDAARM O=C([O-])/C=C/c1nnc(-c2cccs2)o1 ZINC000071524117 388097643 /nfs/dbraw/zinc/09/76/43/388097643.db2.gz XTMMSYKGENOFSG-ONEGZZNKSA-N -1 0 222.225 1.896 50 0 BDAARM O=C([O-])CS[C@@H]1OC(=O)c2ccccc21 ZINC000170625396 388261410 /nfs/dbraw/zinc/26/14/10/388261410.db2.gz FSUXWGNJCBSLRF-JTQLQIEISA-N -1 0 224.237 1.673 50 0 BDAARM O=C([O-])CCCCCNC(=O)c1ccncc1 ZINC000003068356 388362663 /nfs/dbraw/zinc/36/26/63/388362663.db2.gz UOGTXKFLPZVENC-UHFFFAOYSA-N -1 0 236.271 1.456 50 0 BDAARM C[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)[O-] ZINC000217761037 388381075 /nfs/dbraw/zinc/38/10/75/388381075.db2.gz WHJHSNDGNUWZDK-QMMMGPOBSA-N -1 0 246.266 1.381 50 0 biogenic BDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000071279208 388443083 /nfs/dbraw/zinc/44/30/83/388443083.db2.gz DBOVTCCKCJYOHX-NXEZZACHSA-N -1 0 249.266 1.688 50 0 BDAARM CCCCCC(=O)N[C@H](CC)C(=O)[O-] ZINC000002472233 388458010 /nfs/dbraw/zinc/45/80/10/388458010.db2.gz KMYCWXDNJSZPOM-MRVPVSSYSA-N -1 0 201.266 1.546 50 0 BDAARM CCO[C@@H]1C[C@H]1C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000236863146 256861155 /nfs/dbraw/zinc/86/11/55/256861155.db2.gz SFVZBMVTIRQVCM-LNLATYFQSA-N -1 0 243.303 1.171 50 0 BDAARM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000095961746 388795621 /nfs/dbraw/zinc/79/56/21/388795621.db2.gz JZOICXDVPSBVFI-GXSJLCMTSA-N -1 0 248.282 1.373 50 0 BDAARM Cc1cc(C)c(C(=O)NC[C@H](C)C(=O)[O-])o1 ZINC000095425332 388769200 /nfs/dbraw/zinc/76/92/00/388769200.db2.gz HDLPHNFMSMMQDB-ZETCQYMHSA-N -1 0 225.244 1.347 50 0 BDAARM CCCCCOC(=O)Nc1[n-]c(=O)ncc1F ZINC000095933548 388791193 /nfs/dbraw/zinc/79/11/93/388791193.db2.gz LBTQRHGOZGICFV-UHFFFAOYSA-N -1 0 243.238 1.648 50 0 BDAARM CC(C)n1ccc(CSc2n[nH]c(=O)[n-]2)n1 ZINC000194641131 388855185 /nfs/dbraw/zinc/85/51/85/388855185.db2.gz PSBPXRLRIUBASX-UHFFFAOYSA-N -1 0 239.304 1.580 50 0 BDAARM O=C([O-])c1ccccc1N1CCOCC1 ZINC000000159005 132312799 /nfs/dbraw/zinc/31/27/99/132312799.db2.gz XUBUJTVBAXQIKG-UHFFFAOYSA-N -1 0 207.229 1.221 50 0 BDAARM Cc1ccccc1N1C[C@@H](C(=O)[O-])CCC1=O ZINC000051602723 132361499 /nfs/dbraw/zinc/36/14/99/132361499.db2.gz CVISNZAZYIATQM-JTQLQIEISA-N -1 0 233.267 1.823 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)[C@H]1CCCCO1)C1CC1 ZINC000261933720 135264618 /nfs/dbraw/zinc/26/46/18/135264618.db2.gz LTHUEYVBMAQBOY-PSASIEDQSA-N -1 0 241.287 1.020 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)[C@H]1CC=CCC1)C1CC1 ZINC000262439708 135299420 /nfs/dbraw/zinc/29/94/20/135299420.db2.gz NSJFJLPLPIHRLP-ZJUUUORDSA-N -1 0 237.299 1.807 50 0 BDAARM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)co1 ZINC000263177966 135337823 /nfs/dbraw/zinc/33/78/23/135337823.db2.gz GXFRKVWIKMYRKC-OTSSQURYSA-N -1 0 223.228 1.181 50 0 BDAARM O=C(CC1CCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263331974 135347496 /nfs/dbraw/zinc/34/74/96/135347496.db2.gz QDXFRXNCXZQTET-DTORHVGOSA-N -1 0 211.261 1.156 50 0 BDAARM CCc1ccc(O)c(NC(=O)[C@H](C)C(=O)[O-])c1 ZINC000263542141 135358889 /nfs/dbraw/zinc/35/88/89/135358889.db2.gz DMALSZIKMBFRNM-ZETCQYMHSA-N -1 0 237.255 1.614 50 0 BDAARM CC(C)n1c2ccccc2nc1S(=O)(=O)[O-] ZINC000169362726 397811621 /nfs/dbraw/zinc/81/16/21/397811621.db2.gz ZSZNPVDVEUJQJS-UHFFFAOYSA-N -1 0 240.284 1.864 50 0 in-vitro BDAARM CC(C)(C)OC(=O)NCC1(CC(=O)[O-])CC1 ZINC000211918555 398050472 /nfs/dbraw/zinc/05/04/72/398050472.db2.gz XHYKUPXTKLTOHH-UHFFFAOYSA-N -1 0 229.276 1.766 50 0 BDAARM CC(C)C[C@H](NC(=O)C1CC=CC1)C(=O)[O-] ZINC000082865916 398067332 /nfs/dbraw/zinc/06/73/32/398067332.db2.gz TUBUGNHHPUYYDW-JTQLQIEISA-N -1 0 225.288 1.568 50 0 BDAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccccc1C ZINC000008766914 166231152 /nfs/dbraw/zinc/23/11/52/166231152.db2.gz WQSRAJXSDZDCLX-CLFYSBASSA-N -1 0 219.240 1.964 50 0 BDAARM CCC(CC)(C(=O)[O-])C(=O)Nc1nncs1 ZINC000653293637 410683299 /nfs/dbraw/zinc/68/32/99/410683299.db2.gz CNMRXQAMGQVXEJ-UHFFFAOYSA-N -1 0 243.288 1.368 50 0 BDAARM CC(C)CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000011890455 166769724 /nfs/dbraw/zinc/76/97/24/166769724.db2.gz OZVJYCHWMRGCDU-LBPRGKRZSA-N -1 0 235.283 1.975 50 0 BDAARM CC(C)Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1 ZINC000000072106 167290441 /nfs/dbraw/zinc/29/04/41/167290441.db2.gz YRSHNAVIZHLHMV-YRNVUSSQSA-N -1 0 246.266 1.654 50 0 BDAARM Cc1cc(CN2CCC[C@]2(C)C(=O)[O-])nn1C ZINC000652481447 411253493 /nfs/dbraw/zinc/25/34/93/411253493.db2.gz PDFPTZFGAYDTIR-GFCCVEGCSA-N -1 0 237.303 1.168 50 0 BDAARM CC1(NC(=O)c2cccc(C(=O)[O-])n2)CCC1 ZINC000158824217 168061347 /nfs/dbraw/zinc/06/13/47/168061347.db2.gz SQDRDGDXMKZJDT-UHFFFAOYSA-N -1 0 234.255 1.452 50 0 BDAARM CC1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000001063333 168160093 /nfs/dbraw/zinc/16/00/93/168160093.db2.gz BJIQLSRXOWUKSC-HWOCKDDLSA-N -1 0 225.288 1.498 50 0 BDAARM CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000033979157 168260097 /nfs/dbraw/zinc/26/00/97/168260097.db2.gz FOPALECPEUVCTL-QMMMGPOBSA-N -1 0 241.287 1.067 50 0 investigational BDAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccoc1 ZINC000061214988 169879072 /nfs/dbraw/zinc/87/90/72/169879072.db2.gz CATXMSMIINATRU-MRVPVSSYSA-N -1 0 225.244 1.462 50 0 BDAARM CC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000037908989 170136190 /nfs/dbraw/zinc/13/61/90/170136190.db2.gz IYLWBZKDOFHNRW-UHFFFAOYSA-N -1 0 239.218 1.402 50 0 BDAARM CCOC(=O)C=C([O-])c1ccc2c(c1)OCO2 ZINC000002380225 170197308 /nfs/dbraw/zinc/19/73/08/170197308.db2.gz UGSBCTHYWAADNY-UHFFFAOYSA-N -1 0 236.223 1.551 50 0 BDAARM CCOC(=O)C=C([O-])c1ccc(OC)cc1 ZINC000001695805 170197441 /nfs/dbraw/zinc/19/74/41/170197441.db2.gz KRAHENMBSVAAHD-UHFFFAOYSA-N -1 0 222.240 1.831 50 0 BDAARM CCOC(=O)Nc1ccccc1C(=O)[O-] ZINC000000116391 170243724 /nfs/dbraw/zinc/24/37/24/170243724.db2.gz GMFRUUXHDGHBJF-UHFFFAOYSA-N -1 0 209.201 1.953 50 0 BDAARM CCOC(=O)c1c(CC)[n-]n2c1nc(C)cc2=O ZINC000103695916 170288215 /nfs/dbraw/zinc/28/82/15/170288215.db2.gz QFMMRLTWRUEGMO-UHFFFAOYSA-N -1 0 249.270 1.070 50 0 BDAARM CCOC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000008628503 170290622 /nfs/dbraw/zinc/29/06/22/170290622.db2.gz UACLREXZGKWWIC-UHFFFAOYSA-N -1 0 217.224 1.705 50 0 BDAARM CCOCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921587 170340397 /nfs/dbraw/zinc/34/03/97/170340397.db2.gz LCOZLSXPTCADEC-JTQLQIEISA-N -1 0 243.303 1.269 50 0 BDAARM CCOCCC(=O)Nc1ccccc1C(=O)[O-] ZINC000013944150 170363965 /nfs/dbraw/zinc/36/39/65/170363965.db2.gz OUVOOKBUXBYSLI-UHFFFAOYSA-N -1 0 237.255 1.750 50 0 BDAARM CCOCc1nc(C)c(C(=O)[O-])s1 ZINC000084062580 170460027 /nfs/dbraw/zinc/46/00/27/170460027.db2.gz VUYNDEPBNKPVLF-UHFFFAOYSA-N -1 0 201.247 1.686 50 0 BDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccncc1 ZINC000097018235 171164311 /nfs/dbraw/zinc/16/43/11/171164311.db2.gz CGYITHLPAMWFRB-LBPRGKRZSA-N -1 0 236.271 1.455 50 0 BDAARM CC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000034623329 171172378 /nfs/dbraw/zinc/17/23/78/171172378.db2.gz SHZXLTCEPXVCSV-SNVBAGLBSA-N -1 0 217.265 1.764 50 0 BDAARM CC[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000022220590 171252974 /nfs/dbraw/zinc/25/29/74/171252974.db2.gz MFVGNVWWWJGWNR-JQWIXIFHSA-N -1 0 249.310 1.845 50 0 BDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000236915680 171310872 /nfs/dbraw/zinc/31/08/72/171310872.db2.gz JZQOSDVSZQZXQY-GDPRMGEGSA-N -1 0 239.315 1.744 50 0 BDAARM CC[C@H](C)[C@@H](NC(=O)/C=C(\C)C1CC1)C(=O)[O-] ZINC000271921565 171372110 /nfs/dbraw/zinc/37/21/10/171372110.db2.gz VSWHBPRBJSYMMN-KSUSILFISA-N -1 0 239.315 1.958 50 0 BDAARM CCc1occc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000234159519 172116814 /nfs/dbraw/zinc/11/68/14/172116814.db2.gz YZURRSHDCLXCDG-LURJTMIESA-N -1 0 211.217 1.045 50 0 BDAARM CN(C(=O)/C=C/C(=O)[O-])c1ccccc1 ZINC000001296748 172291463 /nfs/dbraw/zinc/29/14/63/172291463.db2.gz DGYPFFQJGDMQMT-BQYQJAHWSA-N -1 0 205.213 1.290 50 0 BDAARM CN(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000005557549 172374663 /nfs/dbraw/zinc/37/46/63/172374663.db2.gz WLHIHQYAIRQWIM-UHFFFAOYSA-N -1 0 235.359 1.007 50 0 BDAARM CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000011919769 172384952 /nfs/dbraw/zinc/38/49/52/172384952.db2.gz RCADQIRMKGJSHI-QPUJVOFHSA-N -1 0 227.304 1.602 50 0 BDAARM CN(C)c1nc2cc(C(=O)[O-])ccc2o1 ZINC000076640150 172577929 /nfs/dbraw/zinc/57/79/29/172577929.db2.gz DFWIVVWIHWGKKI-UHFFFAOYSA-N -1 0 206.201 1.592 50 0 BDAARM CN(CCC(=O)[O-])C(=O)CC1=CCCCC1 ZINC000082457454 172668996 /nfs/dbraw/zinc/66/89/96/172668996.db2.gz HFEXTMDWWKOPKI-UHFFFAOYSA-N -1 0 225.288 1.810 50 0 BDAARM CN1c2ccc(F)cc2[C@@H](CC(=O)[O-])C1=O ZINC000019737100 172972612 /nfs/dbraw/zinc/97/26/12/172972612.db2.gz KEAXJAFMTYCYOC-MRVPVSSYSA-N -1 0 223.203 1.360 50 0 BDAARM CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000000045788 173293062 /nfs/dbraw/zinc/29/30/62/173293062.db2.gz NUSRNYHSRDMMQL-UHFFFAOYSA-N -1 0 228.635 1.790 50 0 BDAARM COCCCN1Cc2cccc(C(=O)[O-])c2C1=O ZINC000002586697 174234170 /nfs/dbraw/zinc/23/41/70/174234170.db2.gz RFLKTRPBCMIEMW-UHFFFAOYSA-N -1 0 249.266 1.377 50 0 BDAARM COc1cc(=O)n(-c2ccccc2)cc1C(=O)[O-] ZINC000169725137 174941902 /nfs/dbraw/zinc/94/19/02/174941902.db2.gz FOBKFHIFLAAMFV-UHFFFAOYSA-N -1 0 245.234 1.544 50 0 BDAARM COc1cc(OC)c(OC)cc1/C=C\C(=O)[O-] ZINC000005906578 175007413 /nfs/dbraw/zinc/00/74/13/175007413.db2.gz XCEGAEUDHJEYRY-PLNGDYQASA-N -1 0 238.239 1.810 50 0 BDAARM COc1cc(OC)c(CC(=O)[O-])c(OC)c1 ZINC000000391983 175007506 /nfs/dbraw/zinc/00/75/06/175007506.db2.gz XVJDJIVBWDQELV-UHFFFAOYSA-N -1 0 226.228 1.340 50 0 BDAARM COc1ccc(-c2cc(C(=O)[O-])nn2C)cc1 ZINC000004384354 175030443 /nfs/dbraw/zinc/03/04/43/175030443.db2.gz SMMCMCIJHBQWLN-UHFFFAOYSA-N -1 0 232.239 1.794 50 0 BDAARM COc1ccc(-n2cn[n-]c2=S)cn1 ZINC000020583447 175044588 /nfs/dbraw/zinc/04/45/88/175044588.db2.gz PHSREVJQINTRFZ-UHFFFAOYSA-N -1 0 208.246 1.333 50 0 BDAARM COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000006182862 175047378 /nfs/dbraw/zinc/04/73/78/175047378.db2.gz WUVZUPQRHXCIKE-QRJSTWQJSA-N -1 0 249.266 1.298 50 0 BDAARM COc1ccc(C(=O)[O-])cc1NC(=O)C1CC1 ZINC000006793878 175064378 /nfs/dbraw/zinc/06/43/78/175064378.db2.gz AGWHQQIQUCPQFU-UHFFFAOYSA-N -1 0 235.239 1.742 50 0 BDAARM COc1ccc(CCS(=O)(=O)[O-])cc1 ZINC000035588028 175092577 /nfs/dbraw/zinc/09/25/77/175092577.db2.gz BPAFHWUAANLEOJ-UHFFFAOYSA-N -1 0 216.258 1.126 50 0 BDAARM COc1ccc(F)c(CC(=O)[O-])c1F ZINC000002527831 175124048 /nfs/dbraw/zinc/12/40/48/175124048.db2.gz KIUMRKHFRAIFFF-UHFFFAOYSA-N -1 0 202.156 1.601 50 0 BDAARM COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000000112569 175139403 /nfs/dbraw/zinc/13/94/03/175139403.db2.gz JIKAEHOGWAHVIJ-QMMMGPOBSA-N -1 0 235.239 1.133 50 0 BDAARM COc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000008581315 175156680 /nfs/dbraw/zinc/15/66/80/175156680.db2.gz QVTNVJXBGOFVPE-UHFFFAOYSA-N -1 0 232.243 1.226 50 0 BDAARM COc1ccc([C@@H](CC(N)=O)CC(=O)[O-])cc1 ZINC000000137889 175178643 /nfs/dbraw/zinc/17/86/43/175178643.db2.gz TWOBZOCYRADJOC-VIFPVBQESA-N -1 0 237.255 1.129 50 0 BDAARM COc1ccc([C@@](C)(O)C(=O)[O-])cc1Cl ZINC000000395734 175186680 /nfs/dbraw/zinc/18/66/80/175186680.db2.gz BBOQNELEJLKTML-SNVBAGLBSA-N -1 0 230.647 1.641 50 0 BDAARM COc1ccc2[nH]c(SCC(=O)[O-])nc2c1 ZINC000000349908 175202030 /nfs/dbraw/zinc/20/20/30/175202030.db2.gz MDTNWUVHKLFAHT-UHFFFAOYSA-N -1 0 238.268 1.748 50 0 BDAARM COc1ccc2c(c1)CC=C(C(=O)[O-])C2 ZINC000075604239 175207970 /nfs/dbraw/zinc/20/79/70/175207970.db2.gz MSHBWRSHOIMMSG-UHFFFAOYSA-N -1 0 204.225 1.805 50 0 BDAARM COc1ccc2c(cc(C(=O)[O-])n2C)c1 ZINC000003881741 175218867 /nfs/dbraw/zinc/21/88/67/175218867.db2.gz PLXRUBZTKAYNKQ-UHFFFAOYSA-N -1 0 205.213 1.885 50 0 biogenic BDAARM COc1ccc2cc(/C=C/C(=O)[O-])c(=O)[nH]c2c1 ZINC000011981716 175223905 /nfs/dbraw/zinc/22/39/05/175223905.db2.gz MZBPMKVCJKJLSS-HWKANZROSA-N -1 0 245.234 1.635 50 0 BDAARM COc1cccc(/C=C(\NC(C)=O)C(=O)[O-])c1 ZINC000016997863 175239376 /nfs/dbraw/zinc/23/93/76/175239376.db2.gz XAHZULGQNBFZRT-XFFZJAGNSA-N -1 0 235.239 1.257 50 0 BDAARM COc1cccc(/C=C\C(=O)[O-])c1OC ZINC000005351463 175241136 /nfs/dbraw/zinc/24/11/36/175241136.db2.gz QAXPUWGAGVERSJ-SREVYHEPSA-N -1 0 208.213 1.802 50 0 BDAARM COc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000019685920 175243323 /nfs/dbraw/zinc/24/33/23/175243323.db2.gz MKFKCCLAKJYLRM-SNVBAGLBSA-N -1 0 249.266 1.242 50 0 BDAARM COc1cccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000019685922 175243632 /nfs/dbraw/zinc/24/36/32/175243632.db2.gz MKFKCCLAKJYLRM-JTQLQIEISA-N -1 0 249.266 1.242 50 0 BDAARM COc1cccc(OC)c1OCC(=O)[O-] ZINC000001557109 175281858 /nfs/dbraw/zinc/28/18/58/175281858.db2.gz MCUFTNXSWDHDIS-UHFFFAOYSA-N -1 0 212.201 1.167 50 0 BDAARM COc1cccc([C@H]2N[C@@H](C(=O)[O-])CS2)c1 ZINC000000040415 175297078 /nfs/dbraw/zinc/29/70/78/175297078.db2.gz TVACMXQCMBZPME-ZJUUUORDSA-N -1 0 239.296 1.483 50 0 BDAARM COc1cccc2c(=O)cc(C(=O)[O-])[nH]c12 ZINC000005424667 175297916 /nfs/dbraw/zinc/29/79/16/175297916.db2.gz BXZSKDOPGDPDEG-UHFFFAOYSA-N -1 0 219.196 1.235 50 0 biogenic,in-man BDAARM COc1ccccc1-c1ncc(C(=O)[O-])cn1 ZINC000054856986 175311652 /nfs/dbraw/zinc/31/16/52/175311652.db2.gz WXUZXIHOKLVGET-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM COc1ccccc1C(=O)CCC(=O)[O-] ZINC000002243631 175316263 /nfs/dbraw/zinc/31/62/63/175316263.db2.gz IBALGUDKXXOXIM-UHFFFAOYSA-N -1 0 208.213 1.743 50 0 BDAARM COc1cnc(-c2ccccn2)[n-]c1=O ZINC000012336319 175380696 /nfs/dbraw/zinc/38/06/96/175380696.db2.gz MHWROIDLUXMKFP-UHFFFAOYSA-N -1 0 203.201 1.253 50 0 BDAARM CS(=O)(=O)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000001456666 175434094 /nfs/dbraw/zinc/43/40/94/175434094.db2.gz LTJOGMNDJLWQMT-AATRIKPKSA-N -1 0 241.268 1.156 50 0 BDAARM C[C@@H]1CC(=O)Nc2ccc(C(=O)[O-])cc2N1 ZINC000169054352 176049765 /nfs/dbraw/zinc/04/97/65/176049765.db2.gz IFGHTPMYTIIOAF-ZCFIWIBFSA-N -1 0 220.228 1.527 50 0 BDAARM C[C@@H]1CCc2[nH]c(=O)c(C(=O)[O-])cc2C1 ZINC000043404554 176239513 /nfs/dbraw/zinc/23/95/13/176239513.db2.gz ZUFHBIONPYXSHS-ZCFIWIBFSA-N -1 0 207.229 1.198 50 0 BDAARM C[C@@H]1C[C@@H](C)CN(C(=O)CSCC(=O)[O-])C1 ZINC000002667428 176359836 /nfs/dbraw/zinc/35/98/36/176359836.db2.gz PBXZBMCZYSMVLN-RKDXNWHRSA-N -1 0 245.344 1.309 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000134068531 176387154 /nfs/dbraw/zinc/38/71/54/176387154.db2.gz ZKHHNWPRCVVSIZ-ADEWGFFLSA-N -1 0 247.294 1.455 50 0 BDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000242191300 176582402 /nfs/dbraw/zinc/58/24/02/176582402.db2.gz XENHMTYDWHZUSZ-DVVUODLYSA-N -1 0 248.282 1.117 50 0 BDAARM C[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000005254267 176802691 /nfs/dbraw/zinc/80/26/91/176802691.db2.gz WAVPSFHVXORVFR-ZETCQYMHSA-N -1 0 240.234 1.098 50 0 BDAARM C[C@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)[O-] ZINC000217931234 176818761 /nfs/dbraw/zinc/81/87/61/176818761.db2.gz FPIAFVWIZSHULJ-QMMMGPOBSA-N -1 0 246.266 1.381 50 0 biogenic BDAARM C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCC(=O)[O-] ZINC000237411372 177022033 /nfs/dbraw/zinc/02/20/33/177022033.db2.gz BEVLLMAPQBPWET-KXUCPTDWSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[O-] ZINC000020283899 177022596 /nfs/dbraw/zinc/02/25/96/177022596.db2.gz KAIRTRFXVVCJNN-YFKPBYRVSA-N -1 0 202.156 1.817 50 0 BDAARM C[C@H](Oc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000004519979 177022927 /nfs/dbraw/zinc/02/29/27/177022927.db2.gz FXTIYEKZZYPBFW-LURJTMIESA-N -1 0 210.185 1.267 50 0 BDAARM C[C@H](Oc1ccc2c(c1)OCC2=O)C(=O)[O-] ZINC000020283906 177023208 /nfs/dbraw/zinc/02/32/08/177023208.db2.gz QMVKMJZYVYLSAU-LURJTMIESA-N -1 0 222.196 1.114 50 0 BDAARM C[C@H](Oc1ccc2sc(=O)oc2c1)C(=O)[O-] ZINC000019812442 177023382 /nfs/dbraw/zinc/02/33/82/177023382.db2.gz WAAKDPOTDRCLST-YFKPBYRVSA-N -1 0 240.236 1.706 50 0 BDAARM C[C@H](Oc1cccc2c1OCCO2)C(=O)[O-] ZINC000015019460 177023964 /nfs/dbraw/zinc/02/39/64/177023964.db2.gz FOLJVNYUBJPVLP-ZETCQYMHSA-N -1 0 224.212 1.310 50 0 BDAARM C[C@H]1CCCC[C@@H]1NC(=O)/C=C/C(=O)[O-] ZINC000003021498 177082303 /nfs/dbraw/zinc/08/23/03/177082303.db2.gz WHXVOGJPORPGRD-YKAJXJTPSA-N -1 0 211.261 1.322 50 0 BDAARM C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1 ZINC000000377240 177309328 /nfs/dbraw/zinc/30/93/28/177309328.db2.gz RGGRSXDCXFADGM-NJGYIYPDSA-N -1 0 249.192 1.889 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166525 177340936 /nfs/dbraw/zinc/34/09/36/177340936.db2.gz DZLLPMGZWXRTEN-XVKPBYJWSA-N -1 0 219.240 1.979 50 0 BDAARM Cc1c(C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000393980 177570920 /nfs/dbraw/zinc/57/09/20/177570920.db2.gz DHFYEFAILLBNHD-UHFFFAOYSA-N -1 0 232.239 1.183 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cc(F)cc(F)c1 ZINC000036895317 177572492 /nfs/dbraw/zinc/57/24/92/177572492.db2.gz LDXOWFGDANGULC-UHFFFAOYSA-N -1 0 239.181 1.552 50 0 BDAARM Cc1c(C(=O)[O-])sc2nc(C)n(C)c(=O)c12 ZINC000000109640 177574155 /nfs/dbraw/zinc/57/41/55/177574155.db2.gz YQHDBNOFPHRZGM-UHFFFAOYSA-N -1 0 238.268 1.310 50 0 BDAARM O=c1c(Cl)c([O-])cnn1-c1ccccc1 ZINC000003958472 487906168 /nfs/dbraw/zinc/90/61/68/487906168.db2.gz HYZCDNSVEFVQSZ-UHFFFAOYSA-N -1 0 222.631 1.592 50 0 BDAARM O=C([O-])CCN1CCC(c2ccccc2)=N1 ZINC000004210481 488040494 /nfs/dbraw/zinc/04/04/94/488040494.db2.gz KQWSLARKDDVGJR-UHFFFAOYSA-N -1 0 218.256 1.571 50 0 BDAARM C=CCN(CC(=O)[O-])C(=O)C[C@@H]1C=CCC1 ZINC000086138090 487486089 /nfs/dbraw/zinc/48/60/89/487486089.db2.gz KJDZTMCGZVLRMM-SNVBAGLBSA-N -1 0 223.272 1.442 50 0 BDAARM COc1c(Cl)nc(Cl)nc1C(=O)[O-] ZINC000261508346 490137449 /nfs/dbraw/zinc/13/74/49/490137449.db2.gz RMXQJMZYYBRLHW-UHFFFAOYSA-N -1 0 223.015 1.490 50 0 BDAARM CC[C@@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000064838 517777128 /nfs/dbraw/zinc/77/71/28/517777128.db2.gz WVKHAFMZAMKNJB-SECBINFHSA-N -1 0 231.255 1.905 50 0 biogenic BDAARM C[C@@H]1CCC[C@H](NC(=O)CCC(=O)[O-])[C@H]1C ZINC000239119581 524395773 /nfs/dbraw/zinc/39/57/73/524395773.db2.gz IVWRIOWFEJWQBO-UTLUCORTSA-N -1 0 227.304 1.792 50 0 BDAARM Cc1ccccc1C1(C(=O)NCCC(=O)[O-])CC1 ZINC000177905286 525075447 /nfs/dbraw/zinc/07/54/47/525075447.db2.gz OCGWJQIRRMQLAK-UHFFFAOYSA-N -1 0 247.294 1.618 50 0 BDAARM CCCC(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719937687 566282136 /nfs/dbraw/zinc/28/21/36/566282136.db2.gz HTUDENOHBMGWFS-UHFFFAOYSA-N -1 0 214.246 1.580 50 0 BDAARM COc1ccc(OCCC[S@@](=O)[O-])cc1 ZINC000203752105 585030105 /nfs/dbraw/zinc/03/01/05/585030105.db2.gz PRNHZXXBQBAWHZ-UHFFFAOYSA-N -1 0 230.285 1.686 50 0 BDAARM CCOC(=O)c1cc(=O)[n-]n1-c1ccccc1 ZINC000000346177 642770295 /nfs/dbraw/zinc/77/02/95/642770295.db2.gz ZICSNTBKDUHAMA-UHFFFAOYSA-N -1 0 232.239 1.755 50 0 BDAARM Cc1cc(C)n(CCCCCC(=O)[O-])c(=O)n1 ZINC000002461504 643087327 /nfs/dbraw/zinc/08/73/27/643087327.db2.gz ZODXSHUBHBBWHV-UHFFFAOYSA-N -1 0 238.287 1.505 50 0 BDAARM Cc1nc(CNc2nc(C(=O)[O-])co2)cs1 ZINC000165874872 712350112 /nfs/dbraw/zinc/35/01/12/712350112.db2.gz OLWOWMLCBAJRDA-UHFFFAOYSA-N -1 0 239.256 1.750 50 0 BDAARM C[C@@H](O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000004818614 960880862 /nfs/dbraw/zinc/88/08/62/960880862.db2.gz HYXWPWDQRFUYEF-MRVPVSSYSA-N -1 0 237.255 1.543 50 0 BDAARM O=Cc1cc(Cl)ncc1N1CC[C@@H]1C(=O)[O-] ZINC000725344878 966954487 /nfs/dbraw/zinc/95/44/87/966954487.db2.gz AUBJNQQRCBNUGC-SSDOTTSWSA-N -1 0 240.646 1.211 50 0 BDAARM Cc1cc(C)n(C(=O)CCCC(=O)[O-])n1 ZINC000004713570 177921513 /nfs/dbraw/zinc/92/15/13/177921513.db2.gz UWQHQQWOZKUOLC-UHFFFAOYSA-N -1 0 210.233 1.395 50 0 BDAARM Cc1cc(F)c2[nH]c(=O)cc(C(=O)[O-])c2c1 ZINC000050183977 178075593 /nfs/dbraw/zinc/07/55/93/178075593.db2.gz FCKDWQYMDFBQMU-UHFFFAOYSA-N -1 0 221.187 1.674 50 0 BDAARM Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)on1 ZINC000071282199 178147173 /nfs/dbraw/zinc/14/71/73/178147173.db2.gz CRAKSNUNNNVEJS-JGVFFNPUSA-N -1 0 238.243 1.278 50 0 BDAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(N)n1 ZINC000034776452 178192487 /nfs/dbraw/zinc/19/24/87/178192487.db2.gz ACABARVIRZLTTK-UHFFFAOYSA-N -1 0 244.254 1.809 50 0 BDAARM Cc1[n-]n2c(nc(C)cc2=O)c1Br ZINC000071475426 178200592 /nfs/dbraw/zinc/20/05/92/178200592.db2.gz BCIATWHQRZSBLW-UHFFFAOYSA-N -1 0 242.076 1.814 50 0 BDAARM Cc1cc2nc(Cc3ccccc3)cc(=O)n2[n-]1 ZINC000018127028 178277101 /nfs/dbraw/zinc/27/71/01/178277101.db2.gz SYUQXZKRCPMGQG-UHFFFAOYSA-N -1 0 239.278 1.922 50 0 BDAARM Cc1cc2nc(S(=O)(=O)[O-])n(C)c2cc1C ZINC000057351729 178302852 /nfs/dbraw/zinc/30/28/52/178302852.db2.gz CRXWATKXSPGDDN-UHFFFAOYSA-N -1 0 240.284 1.437 50 0 BDAARM Cc1cc2nnn(CCCC(=O)[O-])c2cc1C ZINC000057837696 178306900 /nfs/dbraw/zinc/30/69/00/178306900.db2.gz PCRKGVKMHWENGP-UHFFFAOYSA-N -1 0 233.271 1.913 50 0 BDAARM Cc1ccsc1[C@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000082606 342673504 /nfs/dbraw/zinc/67/35/04/342673504.db2.gz DLPBHIQCNCYXEB-SVRRBLITSA-N -1 0 229.326 1.845 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000000106544 342674554 /nfs/dbraw/zinc/67/45/54/342674554.db2.gz GHTSPNBSVDWGED-MRVPVSSYSA-N -1 0 205.213 1.124 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000106540 342674801 /nfs/dbraw/zinc/67/48/01/342674801.db2.gz GHTSPNBSVDWGED-QMMMGPOBSA-N -1 0 205.213 1.124 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000000182860 342679449 /nfs/dbraw/zinc/67/94/49/342679449.db2.gz BVUJBJCCSDLXPU-NSHDSACASA-N -1 0 233.267 1.623 50 0 BDAARM O=C([O-])c1cccc(NC(=O)C2CC2)c1 ZINC000000268035 342681870 /nfs/dbraw/zinc/68/18/70/342681870.db2.gz KOKPIRATDLRXGI-UHFFFAOYSA-N -1 0 205.213 1.733 50 0 BDAARM CC(C)(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000397871 342686563 /nfs/dbraw/zinc/68/65/63/342686563.db2.gz MDYLQMLQBRWTPP-DTWKUNHWSA-N -1 0 227.304 1.792 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1CCCC1 ZINC000000461599 342688128 /nfs/dbraw/zinc/68/81/28/342688128.db2.gz PRMUOGGTHSUYAC-MNOVXSKESA-N -1 0 239.315 1.936 50 0 BDAARM Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000002105 342669376 /nfs/dbraw/zinc/66/93/76/342669376.db2.gz GECHUMIMRBOMGK-UHFFFAOYSA-N -1 0 249.295 1.465 50 0 world BDAARM Cc1occc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000000035125 342670303 /nfs/dbraw/zinc/67/03/03/342670303.db2.gz YOBRTNVYCBTSBS-UHFFFAOYSA-N -1 0 249.222 1.809 50 0 BDAARM O=C([O-])[C@H](O)c1ccc(Br)cc1 ZINC000000057130 342671901 /nfs/dbraw/zinc/67/19/01/342671901.db2.gz BHZBRPQOYFDTAB-SSDOTTSWSA-N -1 0 231.045 1.567 50 0 BDAARM COc1cc(C=O)c(Br)cc1[O-] ZINC000000562680 342690081 /nfs/dbraw/zinc/69/00/81/342690081.db2.gz FVNRNBGSHCWQPD-UHFFFAOYSA-N -1 0 231.045 1.976 50 0 BDAARM CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000040545156 259316736 /nfs/dbraw/zinc/31/67/36/259316736.db2.gz GILFRTWWXJPVJS-UHFFFAOYSA-N -1 0 223.228 1.133 50 0 BDAARM CCS(=O)(=O)c1nc2ccccc2[n-]1 ZINC000001440004 342701266 /nfs/dbraw/zinc/70/12/66/342701266.db2.gz XIBYQDHWUOXOEU-UHFFFAOYSA-N -1 0 210.258 1.357 50 0 BDAARM Nc1ccc2cccc(S(=O)(=O)[O-])c2c1 ZINC000002041215 342715157 /nfs/dbraw/zinc/71/51/57/342715157.db2.gz FYVOTMMSGKWFPK-UHFFFAOYSA-N -1 0 223.253 1.669 50 0 BDAARM O=S(=O)([O-])c1cccc2cc(O)ccc21 ZINC000002187161 342716671 /nfs/dbraw/zinc/71/66/71/342716671.db2.gz SCOSSUFXFMVRJQ-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[O-] ZINC000002248322 342717317 /nfs/dbraw/zinc/71/73/17/342717317.db2.gz IZBZQUREHISXFJ-UHFFFAOYSA-N -1 0 242.584 1.948 50 0 BDAARM Cc1c(C)c2ccc(OCC(=O)[O-])cc2oc1=O ZINC000004151922 342743106 /nfs/dbraw/zinc/74/31/06/342743106.db2.gz JMGNOTZDXBJUJC-UHFFFAOYSA-N -1 0 248.234 1.873 50 0 BDAARM Cc1c(Cl)c(C(F)F)nn1CC(=O)[O-] ZINC000004294612 342746284 /nfs/dbraw/zinc/74/62/84/342746284.db2.gz PIZCTIAZNNVZBR-UHFFFAOYSA-N -1 0 224.594 1.867 50 0 BDAARM [NH3+][C@@H](CC(=O)[O-])c1ccc(Br)o1 ZINC000002511672 342721781 /nfs/dbraw/zinc/72/17/81/342721781.db2.gz GHSGHNSPJVMADK-BYPYZUCNSA-N -1 0 234.049 1.517 50 0 BDAARM O=C([O-])c1ccc(OCn2cccn2)cc1 ZINC000002535229 342723049 /nfs/dbraw/zinc/72/30/49/342723049.db2.gz XJJIRLJNHVPGJI-UHFFFAOYSA-N -1 0 218.212 1.618 50 0 BDAARM O=C([O-])c1cnn2c1nccc2C(F)(F)F ZINC000002537077 342723342 /nfs/dbraw/zinc/72/33/42/342723342.db2.gz VJNJSFNQOGTRDI-UHFFFAOYSA-N -1 0 231.133 1.446 50 0 BDAARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c(C)c1 ZINC000002568812 342724805 /nfs/dbraw/zinc/72/48/05/342724805.db2.gz QFVVRJNKLKAZNY-JTQLQIEISA-N -1 0 233.267 1.741 50 0 BDAARM O=C([O-])[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000002626484 342726280 /nfs/dbraw/zinc/72/62/80/342726280.db2.gz PHSHEPQIYFWWFV-NSHDSACASA-N -1 0 235.264 1.700 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000004826521 342752636 /nfs/dbraw/zinc/75/26/36/342752636.db2.gz PNJBBPYLWPPKSM-QMMMGPOBSA-N -1 0 223.228 1.216 50 0 BDAARM Cc1ccc2c(c1)nc(C(=O)[O-])n2CCO ZINC000004943937 342754639 /nfs/dbraw/zinc/75/46/39/342754639.db2.gz XKPZZKQFIIQUJK-UHFFFAOYSA-N -1 0 220.228 1.035 50 0 BDAARM CC(C)c1cc(=O)[nH]c(SCC(=O)[O-])n1 ZINC000004943267 342754714 /nfs/dbraw/zinc/75/47/14/342754714.db2.gz HOSYMAZROFACBF-UHFFFAOYSA-N -1 0 228.273 1.070 50 0 BDAARM Cc1onc(-c2ccccn2)c1C(=O)[O-] ZINC000005027236 342756945 /nfs/dbraw/zinc/75/69/45/342756945.db2.gz MIFBBWWDOGDMEN-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccccc2)N1 ZINC000004719709 342751040 /nfs/dbraw/zinc/75/10/40/342751040.db2.gz KFBHKNNDUHHZKT-WDEREUQCSA-N -1 0 243.266 1.098 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000006595049 342779778 /nfs/dbraw/zinc/77/97/78/342779778.db2.gz RQYKQWFHJOBBAO-JTQLQIEISA-N -1 0 219.240 1.376 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000006884587 342785704 /nfs/dbraw/zinc/78/57/04/342785704.db2.gz WUHKWNJTHHFDNQ-SSDOTTSWSA-N -1 0 223.203 1.263 50 0 BDAARM CCc1ccccc1NC(=O)/C=C\C(=O)[O-] ZINC000031719247 342790303 /nfs/dbraw/zinc/79/03/03/342790303.db2.gz HWJURJPNHHFMHJ-FPLPWBNLSA-N -1 0 219.240 1.828 50 0 BDAARM Cc1ccc(C(=O)[O-])cc1S(C)(=O)=O ZINC000020263253 178442026 /nfs/dbraw/zinc/44/20/26/178442026.db2.gz IYIOTRUPYRIVLP-UHFFFAOYSA-N -1 0 214.242 1.097 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000011891345 342844359 /nfs/dbraw/zinc/84/43/59/342844359.db2.gz POFNOURPIVBRIP-GFCCVEGCSA-N -1 0 247.294 1.552 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000011890710 342844370 /nfs/dbraw/zinc/84/43/70/342844370.db2.gz LTUZWGRJHXDJQU-SNVBAGLBSA-N -1 0 237.230 1.515 50 0 BDAARM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000012650647 342856104 /nfs/dbraw/zinc/85/61/04/342856104.db2.gz QVOPNRRQHPWQMF-QMMMGPOBSA-N -1 0 245.275 1.097 50 0 BDAARM O=C([O-])[C@H]1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000012338537 342849278 /nfs/dbraw/zinc/84/92/78/342849278.db2.gz VSFAUFULKMAMRL-GMTAPVOTSA-N -1 0 231.251 1.900 50 0 BDAARM [NH3+][C@H](C[C@@H](CC1CCCCC1)C(=O)[O-])C(=O)[O-] ZINC000012649636 342856060 /nfs/dbraw/zinc/85/60/60/342856060.db2.gz MXSQZJNEEHYKAD-NXEZZACHSA-N -1 0 243.303 1.460 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccccc1F ZINC000011888101 342843946 /nfs/dbraw/zinc/84/39/46/342843946.db2.gz LZSXQBNAEBMEGW-UHFFFAOYSA-N -1 0 235.218 1.667 50 0 BDAARM CC(C)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000011890450 342843962 /nfs/dbraw/zinc/84/39/62/342843962.db2.gz OZVJYCHWMRGCDU-GFCCVEGCSA-N -1 0 235.283 1.975 50 0 BDAARM CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)[O-] ZINC000012954235 342861883 /nfs/dbraw/zinc/86/18/83/342861883.db2.gz GPBCBXYUAJQMQM-QMMMGPOBSA-N -1 0 243.259 1.040 50 0 BDAARM O=C([O-])CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000521398287 398303430 /nfs/dbraw/zinc/30/34/30/398303430.db2.gz NDZSXFNWSDLMTD-NTSWFWBYSA-N -1 0 212.167 1.961 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)C1CCC1 ZINC000059881352 342874230 /nfs/dbraw/zinc/87/42/30/342874230.db2.gz XKSAOLUKVWXMFD-UHFFFAOYSA-N -1 0 213.277 1.356 50 0 BDAARM O=C([O-])/C=C/C(=O)N[C@H]1CCCc2ccccc21 ZINC000016972988 342918478 /nfs/dbraw/zinc/91/84/78/342918478.db2.gz YJOHDCRTUHAMIU-BCPZQOPPSA-N -1 0 245.278 1.821 50 0 BDAARM Cc1ccc(C)c(-n2nn[n-]c2=S)c1 ZINC000006556679 178463526 /nfs/dbraw/zinc/46/35/26/178463526.db2.gz ABHXMIIPBQNZTK-UHFFFAOYSA-N -1 0 206.274 1.568 50 0 BDAARM CC(C)([NH3+])c1nc(-c2cccs2)cc(=O)[nH]1 ZINC000071858596 398331608 /nfs/dbraw/zinc/33/16/08/398331608.db2.gz CDKZKIKXORNUBW-UHFFFAOYSA-N -1 0 235.312 1.692 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000019088984 342941306 /nfs/dbraw/zinc/94/13/06/342941306.db2.gz PXJPYWRFHOWZQA-SSDOTTSWSA-N -1 0 209.176 1.336 50 0 BDAARM C[C@H](NC(=O)CO[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000237391673 398333858 /nfs/dbraw/zinc/33/38/58/398333858.db2.gz ZEFLAYZRCCYHTE-KXUCPTDWSA-N -1 0 243.303 1.171 50 0 BDAARM CC[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000050291092 398334109 /nfs/dbraw/zinc/33/41/09/398334109.db2.gz CQTLBUUITWOXSW-SECBINFHSA-N -1 0 225.288 1.500 50 0 BDAARM CCc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000019410603 342947743 /nfs/dbraw/zinc/94/77/43/342947743.db2.gz AMXGXWFHGARVTE-UHFFFAOYSA-N -1 0 235.283 1.844 50 0 BDAARM O=C([O-])[C@@H](c1ccccc1)n1cccn1 ZINC000019408440 342947858 /nfs/dbraw/zinc/94/78/58/342947858.db2.gz AMAPMVWSJNXHCG-SNVBAGLBSA-N -1 0 202.213 1.557 50 0 BDAARM O=C([O-])c1c(O)ccnc1C(F)(F)F ZINC000019737346 342955914 /nfs/dbraw/zinc/95/59/14/342955914.db2.gz DJPMDWGFJXYJCZ-UHFFFAOYSA-N -1 0 207.107 1.504 50 0 BDAARM O=C([O-])c1cccnc1NCc1ccccn1 ZINC000019845180 342959805 /nfs/dbraw/zinc/95/98/05/342959805.db2.gz OAJOFQWUVNOBFJ-UHFFFAOYSA-N -1 0 229.239 1.787 50 0 BDAARM Cc1ccc(NC(=O)NCCCC(=O)[O-])cc1 ZINC000019980959 342965719 /nfs/dbraw/zinc/96/57/19/342965719.db2.gz DPRRSWHKFPYVRG-UHFFFAOYSA-N -1 0 236.271 1.981 50 0 BDAARM Cc1ccc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000020285168 342980733 /nfs/dbraw/zinc/98/07/33/342980733.db2.gz BAHCEYWWLYTXNC-ZDUSSCGKSA-N -1 0 249.310 1.763 50 0 BDAARM Cc1c(Cl)cnn1CCCC(=O)[O-] ZINC000020314484 342981579 /nfs/dbraw/zinc/98/15/79/342981579.db2.gz PHXNTSZWLWSBBK-UHFFFAOYSA-N -1 0 202.641 1.710 50 0 BDAARM CCCCCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000020362431 342984022 /nfs/dbraw/zinc/98/40/22/342984022.db2.gz SSOVCMPITLGMSM-UHFFFAOYSA-N -1 0 227.304 1.890 50 0 BDAARM COC(=O)COc1c(C)cc(C(=O)[O-])cc1C ZINC000020424803 342984731 /nfs/dbraw/zinc/98/47/31/342984731.db2.gz JDAJIKDCAQDRDJ-UHFFFAOYSA-N -1 0 238.239 1.553 50 0 BDAARM O=C([O-])[C@@H]1C(=O)NC[C@@H]1c1ccc(Cl)cc1 ZINC000022782125 343073639 /nfs/dbraw/zinc/07/36/39/343073639.db2.gz UNTIWFGDNPKRDT-BDAKNGLRSA-N -1 0 239.658 1.254 50 0 BDAARM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000584879904 343079761 /nfs/dbraw/zinc/07/97/61/343079761.db2.gz PJSBWXFIGQPWFU-UHFFFAOYSA-N -1 0 226.232 1.074 50 0 BDAARM Cn1nc2c3cc(C(=O)[O-])ccc3[nH]cc-2c1=O ZINC000026507622 343105983 /nfs/dbraw/zinc/10/59/83/343105983.db2.gz JCLGAYHPGIREEN-UHFFFAOYSA-N -1 0 243.222 1.113 50 0 biogenic BDAARM Nc1nc(CSCC(=O)[O-])cs1 ZINC000031772039 343224288 /nfs/dbraw/zinc/22/42/88/343224288.db2.gz HJGCGBONOSWMAT-UHFFFAOYSA-N -1 0 204.276 1.043 50 0 BDAARM Cn1cc(-c2n[nH]c3c2cccc3C(=O)[O-])cn1 ZINC000031992031 343227603 /nfs/dbraw/zinc/22/76/03/343227603.db2.gz GZTDOJINWUNZSG-UHFFFAOYSA-N -1 0 242.238 1.662 50 0 BDAARM CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)[O-] ZINC000032874052 343243305 /nfs/dbraw/zinc/24/33/05/343243305.db2.gz VXIIZQXOIDYWBS-BIIVOSGPSA-N -1 0 227.260 1.469 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1cccc(N)c1 ZINC000032937843 343244698 /nfs/dbraw/zinc/24/46/98/343244698.db2.gz QRYFTINPHMKNBZ-UHFFFAOYSA-N -1 0 232.243 1.110 50 0 BDAARM O=C([O-])c1ccc(-c2ccncc2)[nH]c1=O ZINC000038342471 343374348 /nfs/dbraw/zinc/37/43/48/343374348.db2.gz BSAIARBJYWMDGX-UHFFFAOYSA-N -1 0 216.196 1.547 50 0 BDAARM O=C([O-])[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000037359204 343343857 /nfs/dbraw/zinc/34/38/57/343343857.db2.gz WMLCDNYERRLQSF-LLVKDONJSA-N -1 0 239.246 1.284 50 0 BDAARM O=C([O-])c1c2c(ccc1Br)OCO2 ZINC000039240410 343387460 /nfs/dbraw/zinc/38/74/60/343387460.db2.gz HDNXEXSQANVCKC-UHFFFAOYSA-N -1 0 245.028 1.876 50 0 BDAARM COc1cc(C(=O)[O-])c(F)c(F)c1F ZINC000040448428 343403378 /nfs/dbraw/zinc/40/33/78/343403378.db2.gz CGMSFYATZQKRJY-UHFFFAOYSA-N -1 0 206.119 1.811 50 0 BDAARM O=C([O-])c1cc(Br)cnc1F ZINC000040448809 343404143 /nfs/dbraw/zinc/40/41/43/343404143.db2.gz VUGXRWXIIOSMCF-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM CCc1nc(-c2ncccn2)sc1C(=O)[O-] ZINC000040457283 343404775 /nfs/dbraw/zinc/40/47/75/343404775.db2.gz OZPQEAZOQIDRRL-UHFFFAOYSA-N -1 0 235.268 1.861 50 0 BDAARM COC(=O)c1c[nH]c([O-])c(Br)c1=O ZINC000040564647 343407383 /nfs/dbraw/zinc/40/73/83/343407383.db2.gz MXEWVVROXOCIKD-UHFFFAOYSA-N -1 0 248.032 1.042 50 0 BDAARM Nc1c(C(=O)[O-])cnn1-c1cc(F)cc(F)c1 ZINC000044901177 343518316 /nfs/dbraw/zinc/51/83/16/343518316.db2.gz ABPQWSILBFSRMP-UHFFFAOYSA-N -1 0 239.181 1.431 50 0 BDAARM CC[C@@H](C)[C@@H](NC(=O)NC1CCCC1)C(=O)[O-] ZINC000006357781 259368455 /nfs/dbraw/zinc/36/84/55/259368455.db2.gz KKOORKMAXSGAOU-PSASIEDQSA-N -1 0 242.319 1.728 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000013171221 343771805 /nfs/dbraw/zinc/77/18/05/343771805.db2.gz JENQAOIBEHEDHI-WDEREUQCSA-N -1 0 237.299 1.666 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccco1 ZINC000004681256 343956892 /nfs/dbraw/zinc/95/68/92/343956892.db2.gz NRWCNXFHYQUJQF-MRVPVSSYSA-N -1 0 225.244 1.397 50 0 BDAARM Cc1ccc(F)c(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000004104997 178675508 /nfs/dbraw/zinc/67/55/08/178675508.db2.gz LGGQJJIYOGSNMV-YUMQZZPRSA-N -1 0 237.230 1.793 50 0 BDAARM COC(=O)[C@@H](C)OC(=O)c1ccc(O)cc1 ZINC000000315260 344693081 /nfs/dbraw/zinc/69/30/81/344693081.db2.gz HZNUOUGBKBFZGN-SSDOTTSWSA-N -1 0 224.212 1.111 50 0 BDAARM Cc1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1C ZINC000077331826 178740934 /nfs/dbraw/zinc/74/09/34/178740934.db2.gz OYIRDFZJDZWMAF-SECBINFHSA-N -1 0 221.256 1.963 50 0 BDAARM C[C@@H](C(=O)[O-])C1CCC2(CC1)OCCO2 ZINC000235426306 344909478 /nfs/dbraw/zinc/90/94/78/344909478.db2.gz VWMSZNLQLZLFGM-MRVPVSSYSA-N -1 0 214.261 1.640 50 0 BDAARM Cc1ccc(O)c(NC(=O)CCC(=O)[O-])c1 ZINC000000267332 178799982 /nfs/dbraw/zinc/79/99/82/178799982.db2.gz CGNVCSMQQIBXPC-UHFFFAOYSA-N -1 0 223.228 1.504 50 0 BDAARM COc1cc(C(=O)[O-])nc2ccccc21 ZINC000019418967 345938300 /nfs/dbraw/zinc/93/83/00/345938300.db2.gz AVBKMSSLAIKOGM-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 biogenic,in-vitro BDAARM Cc1c(C(=O)[O-])nnn1-c1cccc(C)c1C ZINC000011888117 179002168 /nfs/dbraw/zinc/00/21/68/179002168.db2.gz JITFXKBRKYKSTC-UHFFFAOYSA-N -1 0 231.255 1.891 50 0 BDAARM Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])n1 ZINC000022218332 179009000 /nfs/dbraw/zinc/00/90/00/179009000.db2.gz CKPCEAKEDUTGRJ-SNVBAGLBSA-N -1 0 234.255 1.079 50 0 BDAARM CC[C@@H](c1ccccc1)C(C(=O)[O-])C(=O)[O-] ZINC000006002118 346271783 /nfs/dbraw/zinc/27/17/83/346271783.db2.gz DUKXBCXRFUGLTA-VIFPVBQESA-N -1 0 222.240 1.966 50 0 BDAARM Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000037719160 179086392 /nfs/dbraw/zinc/08/63/92/179086392.db2.gz WLFVIHJSSHNUDX-GHMZBOCLSA-N -1 0 233.267 1.332 50 0 BDAARM CCCCC[C@@H](C)NC(=O)CCC(=O)[O-] ZINC000006042392 346635016 /nfs/dbraw/zinc/63/50/16/346635016.db2.gz GWBNUBOSHDCDIX-SECBINFHSA-N -1 0 215.293 1.936 50 0 BDAARM Cc1cc(C)cc(Nc2nncc(=O)[n-]2)c1 ZINC000008997617 346703525 /nfs/dbraw/zinc/70/35/25/346703525.db2.gz CRWMCIMEOJVUTJ-UHFFFAOYSA-N -1 0 216.244 1.938 50 0 BDAARM Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071280734 179140137 /nfs/dbraw/zinc/14/01/37/179140137.db2.gz SYPYJNAYWUJYMG-VHSXEESVSA-N -1 0 248.282 1.685 50 0 BDAARM Cc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000071405204 179141560 /nfs/dbraw/zinc/14/15/60/179141560.db2.gz KILAQXYMBWIHCP-VHSXEESVSA-N -1 0 248.282 1.829 50 0 BDAARM Cc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000071405202 179141628 /nfs/dbraw/zinc/14/16/28/179141628.db2.gz KILAQXYMBWIHCP-UWVGGRQHSA-N -1 0 248.282 1.829 50 0 BDAARM CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000034612066 347257420 /nfs/dbraw/zinc/25/74/20/347257420.db2.gz FDVOAESRSGPUIX-UHFFFAOYSA-N -1 0 205.135 1.169 50 0 BDAARM Cc1ccccc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000070310749 179251245 /nfs/dbraw/zinc/25/12/45/179251245.db2.gz PPXUXFJJPNESPY-JTQLQIEISA-N -1 0 235.283 1.978 50 0 BDAARM Cc1ccccc1CNC(=O)/C=C/C(=O)[O-] ZINC000000386849 179277403 /nfs/dbraw/zinc/27/74/03/179277403.db2.gz BKKZQNWPXQGNMN-VOTSOKGWSA-N -1 0 219.240 1.252 50 0 BDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(=O)[O-] ZINC000237638081 179331458 /nfs/dbraw/zinc/33/14/58/179331458.db2.gz MZJJRBCLBRGHRX-WDEREUQCSA-N -1 0 233.267 1.299 50 0 BDAARM Cc1ccccc1[C@H]1CN(CC(=O)[O-])CCO1 ZINC000237677347 179348322 /nfs/dbraw/zinc/34/83/22/179348322.db2.gz IXJLORFTZYEPQI-GFCCVEGCSA-N -1 0 235.283 1.453 50 0 BDAARM O=C([O-])c1cc(-c2cccc(F)c2)ncn1 ZINC000117586460 348985265 /nfs/dbraw/zinc/98/52/65/348985265.db2.gz ZGXPPUYTEIKGNT-UHFFFAOYSA-N -1 0 218.187 1.981 50 0 BDAARM O=C([O-])[C@H]1CC(=O)C[C@@H]1c1ccccc1 ZINC000016887604 362948541 /nfs/dbraw/zinc/94/85/41/362948541.db2.gz MRQNYXGJZLWYHT-MNOVXSKESA-N -1 0 204.225 1.834 50 0 BDAARM Cc1nc(NC[C@@H]2CCCO2)sc1C(=O)[O-] ZINC000008024728 180019139 /nfs/dbraw/zinc/01/91/39/180019139.db2.gz JZHCJZBEZQCGOU-ZETCQYMHSA-N -1 0 242.300 1.741 50 0 BDAARM Cc1nc(NC[C@H]2CCCO2)sc1C(=O)[O-] ZINC000008024735 180019603 /nfs/dbraw/zinc/01/96/03/180019603.db2.gz JZHCJZBEZQCGOU-SSDOTTSWSA-N -1 0 242.300 1.741 50 0 BDAARM C[C@@H]1CC/C(=C/C(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000390832657 350131941 /nfs/dbraw/zinc/13/19/41/350131941.db2.gz BTOVVNCAUQBAGP-LFTXZHPPSA-N -1 0 237.299 1.808 50 0 BDAARM Cc1nc2n(c1CCC(=O)[O-])CCCC2 ZINC000083987081 180110978 /nfs/dbraw/zinc/11/09/78/180110978.db2.gz YMBCDDAAHLWNFG-UHFFFAOYSA-N -1 0 208.261 1.545 50 0 BDAARM Cc1[nH]cnc1-c1cccc(C(=O)[O-])n1 ZINC000074208956 180120615 /nfs/dbraw/zinc/12/06/15/180120615.db2.gz AMSCREOXQYFXEN-UHFFFAOYSA-N -1 0 203.201 1.478 50 0 BDAARM Cc1nccn1[C@@H](C(=O)[O-])c1ccccc1 ZINC000013483667 180272509 /nfs/dbraw/zinc/27/25/09/180272509.db2.gz YFYZIRGMDHGXCD-LLVKDONJSA-N -1 0 216.240 1.866 50 0 BDAARM O=C([O-])CCCCS(=O)(=O)C1CCCCC1 ZINC000037684688 350286232 /nfs/dbraw/zinc/28/62/32/350286232.db2.gz KNNSVFNUIQZQOT-UHFFFAOYSA-N -1 0 248.344 1.989 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccn1 ZINC000000398305 350332533 /nfs/dbraw/zinc/33/25/33/350332533.db2.gz NAAOFYSESODFQG-ZJUUUORDSA-N -1 0 246.266 1.687 50 0 BDAARM Cc1nn(C)c2nc3c(c(C(=O)[O-])c12)CCC3 ZINC000011567275 180363549 /nfs/dbraw/zinc/36/35/49/180363549.db2.gz KOEPIHHELGFLIK-UHFFFAOYSA-N -1 0 231.255 1.464 50 0 BDAARM Cc1nnc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000014989042 180395178 /nfs/dbraw/zinc/39/51/78/180395178.db2.gz WGHDLGCAERPMJS-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM Cc1nn(CC(=O)[O-])c(Cl)c1Cl ZINC000063772473 180386763 /nfs/dbraw/zinc/38/67/63/180386763.db2.gz TWZKQIAHXWYVGH-UHFFFAOYSA-N -1 0 209.032 1.583 50 0 BDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccccc2)n1 ZINC000012397376 180635655 /nfs/dbraw/zinc/63/56/55/180635655.db2.gz LQOSFXBYYYPVEO-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM Cc1cc(N)n(-c2ccccc2C(=O)[O-])n1 ZINC000000080546 187582473 /nfs/dbraw/zinc/58/24/73/187582473.db2.gz WJJZUIGBRUXITD-UHFFFAOYSA-N -1 0 217.228 1.461 50 0 BDAARM CC(C)(NC(=O)c1ccccc1)C(=O)[O-] ZINC000004899933 187585380 /nfs/dbraw/zinc/58/53/80/187585380.db2.gz AXAMLHJXUICVAY-UHFFFAOYSA-N -1 0 207.229 1.280 50 0 BDAARM Cn1ccnc1Sc1ncccc1C(=O)[O-] ZINC000008717070 180756373 /nfs/dbraw/zinc/75/63/73/180756373.db2.gz LJVHRNDQCDLYPC-UHFFFAOYSA-N -1 0 235.268 1.665 50 0 BDAARM Cc1ccc(F)c(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000004104999 352564349 /nfs/dbraw/zinc/56/43/49/352564349.db2.gz LGGQJJIYOGSNMV-JGVFFNPUSA-N -1 0 237.230 1.793 50 0 BDAARM O=C([O-])c1coc(NC(=O)c2ccsc2)n1 ZINC000074934415 188307642 /nfs/dbraw/zinc/30/76/42/188307642.db2.gz HOCHTYIZEPEEFN-UHFFFAOYSA-N -1 0 238.224 1.687 50 0 BDAARM CC(=O)COc1ccccc1OCC(=O)[O-] ZINC000000188996 188272142 /nfs/dbraw/zinc/27/21/42/188272142.db2.gz CVGRNKJSGVQYGB-UHFFFAOYSA-N -1 0 224.212 1.118 50 0 BDAARM COc1ccc(Cl)cc1[N-]S(C)(=O)=O ZINC000000029502 188272204 /nfs/dbraw/zinc/27/22/04/188272204.db2.gz FPIRAFIXJWRGIJ-UHFFFAOYSA-N -1 0 235.692 1.720 50 0 BDAARM O=C1NC(=O)/C(=C\c2c(F)cccc2Cl)N1 ZINC000000072863 188272417 /nfs/dbraw/zinc/27/24/17/188272417.db2.gz AMBGAORSDPLOIA-XBXARRHUSA-N -1 0 240.621 1.659 50 0 BDAARM CC(=O)Nc1c2ccccc2[nH]c1C(=O)[O-] ZINC000000326011 188272983 /nfs/dbraw/zinc/27/29/83/188272983.db2.gz GWFDHYBEJIZTDA-UHFFFAOYSA-N -1 0 218.212 1.825 50 0 BDAARM CC(=O)c1c(C)nn([C@@H](C)CC(=O)[O-])c1C ZINC000000818956 188273405 /nfs/dbraw/zinc/27/34/05/188273405.db2.gz UHEKEXSWYZMSDA-LURJTMIESA-N -1 0 224.260 1.738 50 0 BDAARM O=C([O-])CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000001467754 188273497 /nfs/dbraw/zinc/27/34/97/188273497.db2.gz FGCTZJMAHLGRBY-UHFFFAOYSA-N -1 0 237.299 1.404 50 0 BDAARM CC(C)=C(NC(=O)c1ccccc1)C(=O)[O-] ZINC000000507562 188273557 /nfs/dbraw/zinc/27/35/57/188273557.db2.gz JOPORVSSFJWMSB-UHFFFAOYSA-N -1 0 219.240 1.795 50 0 BDAARM CC(=O)Nc1ccc(C(=O)[O-])c(OC(C)=O)c1 ZINC000001667472 188273806 /nfs/dbraw/zinc/27/38/06/188273806.db2.gz QEUJTUCLEVAVPP-UHFFFAOYSA-N -1 0 237.211 1.269 50 0 BDAARM CC(=O)Nc1c2cc(F)ccc2[nH]c1C(=O)[O-] ZINC000004712907 188276264 /nfs/dbraw/zinc/27/62/64/188276264.db2.gz WSYULBACYOKFNI-UHFFFAOYSA-N -1 0 236.202 1.964 50 0 BDAARM COc1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000004582804 188276916 /nfs/dbraw/zinc/27/69/16/188276916.db2.gz CXOUTHKBZTXXAU-AATRIKPKSA-N -1 0 221.212 1.275 50 0 biogenic BDAARM CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000005480976 188278010 /nfs/dbraw/zinc/27/80/10/188278010.db2.gz UIJDFPAGHBJLRS-UHFFFAOYSA-N -1 0 225.269 1.893 50 0 BDAARM CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000012504817 188279546 /nfs/dbraw/zinc/27/95/46/188279546.db2.gz MHJFYCQGHIHUSB-SNVBAGLBSA-N -1 0 241.674 1.992 50 0 BDAARM O=C([O-])c1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000012504753 188279837 /nfs/dbraw/zinc/27/98/37/188279837.db2.gz LXRKDEAFRQCTBN-YVMONPNESA-N -1 0 249.247 1.709 50 0 BDAARM CC(C)[C@H](C(=O)[O-])S(=O)(=O)C1CCCCC1 ZINC000037684746 188286770 /nfs/dbraw/zinc/28/67/70/188286770.db2.gz RZCUHVRKXPGBBB-SNVBAGLBSA-N -1 0 248.344 1.843 50 0 BDAARM Cc1nn(C(F)F)c(C)c1CC(=O)[O-] ZINC000039947463 188291805 /nfs/dbraw/zinc/29/18/05/188291805.db2.gz FVFASAFOCBCBNF-UHFFFAOYSA-N -1 0 204.176 1.522 50 0 BDAARM CC(=O)N(c1nc(C)c(C(=O)[O-])s1)C(C)C ZINC000041127931 188292935 /nfs/dbraw/zinc/29/29/35/188292935.db2.gz YIGGFCVEPOCMJS-UHFFFAOYSA-N -1 0 242.300 1.911 50 0 BDAARM Cc1nn(Cc2ccccc2C(=O)[O-])c(C)c1N ZINC000071325856 188305986 /nfs/dbraw/zinc/30/59/86/188305986.db2.gz UGVUIVRNDHVVLX-UHFFFAOYSA-N -1 0 245.282 1.829 50 0 BDAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)[C@H]1CC=CCC1 ZINC000222009032 188356592 /nfs/dbraw/zinc/35/65/92/188356592.db2.gz UUGOCQMJSOULBZ-RZCNENHTSA-N -1 0 243.328 1.507 50 0 BDAARM CC(C)Cn1nccc1[C@H]1C[C@@H]1C(=O)[O-] ZINC000242592341 188369482 /nfs/dbraw/zinc/36/94/82/188369482.db2.gz OQGPGARFOAFOPW-IUCAKERBSA-N -1 0 208.261 1.727 50 0 BDAARM C/C(=C\C(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC000253461240 188370271 /nfs/dbraw/zinc/37/02/71/188370271.db2.gz IPFBOSOCOPBDAU-CMDGGOBGSA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])c1ncc(F)cc1OC(F)F ZINC000263624752 188371221 /nfs/dbraw/zinc/37/12/21/188371221.db2.gz TXDALGBGQQRUMN-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM Cc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001453012 355763624 /nfs/dbraw/zinc/76/36/24/355763624.db2.gz AUTCHGUUOVSZOZ-SECBINFHSA-N -1 0 221.281 1.889 50 0 BDAARM Cc1c(C(=O)[O-])sc2ncnc(N(C)C)c12 ZINC000020327651 355943739 /nfs/dbraw/zinc/94/37/39/355943739.db2.gz UBIJBFGXUJVQBK-UHFFFAOYSA-N -1 0 237.284 1.764 50 0 BDAARM NC(=O)N[C@H](CC(=O)[O-])c1ccccc1F ZINC000012896108 181262088 /nfs/dbraw/zinc/26/20/88/181262088.db2.gz SRWWGOPPQAFXKR-MRVPVSSYSA-N -1 0 226.207 1.010 50 0 BDAARM CCc1onc(-c2ncc[nH]2)c1C(=O)[O-] ZINC000675058232 538481110 /nfs/dbraw/zinc/48/11/10/538481110.db2.gz YLUAJEDPMBETBL-UHFFFAOYSA-N -1 0 207.189 1.325 50 0 BDAARM O=C([O-])c1ncc(-c2cccc(CO)c2)cn1 ZINC000675069642 538499119 /nfs/dbraw/zinc/49/91/19/538499119.db2.gz JQBLHOMHDDKPQO-UHFFFAOYSA-N -1 0 230.223 1.334 50 0 BDAARM Cc1cc(-c2cnc(C(=O)[O-])nc2)on1 ZINC000675069824 538499242 /nfs/dbraw/zinc/49/92/42/538499242.db2.gz KWMSDIMAOAZWTM-UHFFFAOYSA-N -1 0 205.173 1.138 50 0 BDAARM COc1cc(Cl)ccc1CC(=O)[O-] ZINC000034344371 356702206 /nfs/dbraw/zinc/70/22/06/356702206.db2.gz UXJIWCMQVOEXTG-UHFFFAOYSA-N -1 0 200.621 1.976 50 0 BDAARM CCc1n[nH]cc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000685948343 538890501 /nfs/dbraw/zinc/89/05/01/538890501.db2.gz IZKGLCLQNYRWME-MRVPVSSYSA-N -1 0 223.276 1.273 50 0 BDAARM CCOC(=O)N1CCC([C@@H](F)C(=O)[O-])CC1 ZINC000685951610 538895140 /nfs/dbraw/zinc/89/51/40/538895140.db2.gz WKXSJMVWMCYSHY-MRVPVSSYSA-N -1 0 233.239 1.278 50 0 BDAARM CO[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000169148164 134249380 /nfs/dbraw/zinc/24/93/80/134249380.db2.gz XDIBQTRCMLFYDR-VHSXEESVSA-N -1 0 243.303 1.125 50 0 BDAARM O=C([O-])c1coc(NC[C@H]2CCC[C@@H](O)C2)n1 ZINC000227819785 358363737 /nfs/dbraw/zinc/36/37/37/358363737.db2.gz BWKDLKKDKLBVRY-JGVFFNPUSA-N -1 0 240.259 1.336 50 0 BDAARM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000019438195 166526053 /nfs/dbraw/zinc/52/60/53/166526053.db2.gz QBOICUCFKNPNND-ZCFIWIBFSA-N -1 0 217.290 1.019 50 0 BDAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ncoc1C ZINC000097035995 169879189 /nfs/dbraw/zinc/87/91/89/169879189.db2.gz WQWSBMHKCRFMHE-SSDOTTSWSA-N -1 0 240.259 1.166 50 0 BDAARM CC(=O)N[C@H](Cc1cc(F)ccc1F)C(=O)[O-] ZINC000016696955 219813943 /nfs/dbraw/zinc/81/39/43/219813943.db2.gz WJRDSRFBLPWNBZ-SNVBAGLBSA-N -1 0 243.209 1.097 50 0 BDAARM NC(=O)c1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000067847683 181311462 /nfs/dbraw/zinc/31/14/62/181311462.db2.gz OAEQYGVVMNGBFV-UHFFFAOYSA-N -1 0 248.263 1.607 50 0 BDAARM CCCCNc1ncc(C(=O)[O-])c(CC)n1 ZINC000169751785 361028138 /nfs/dbraw/zinc/02/81/38/361028138.db2.gz HSZHIVXOJLAZLG-UHFFFAOYSA-N -1 0 223.276 1.949 50 0 BDAARM O=[S@]([O-])CCOc1ccc(F)cc1 ZINC000675060521 541463435 /nfs/dbraw/zinc/46/34/35/541463435.db2.gz AVKQBXVYZWOZQL-UHFFFAOYSA-N -1 0 204.222 1.426 50 0 BDAARM Nc1c(C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000002571500 181665929 /nfs/dbraw/zinc/66/59/29/181665929.db2.gz CDLPWFKSJDWMSQ-UHFFFAOYSA-N -1 0 237.646 1.806 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccccc1 ZINC000057525226 371856356 /nfs/dbraw/zinc/85/63/56/371856356.db2.gz XTKXFCOKOQPKHF-UHFFFAOYSA-N -1 0 235.283 1.869 50 0 BDAARM O=C([O-])[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1F ZINC000004104956 372142701 /nfs/dbraw/zinc/14/27/01/372142701.db2.gz BVVKPJIGNVJQBD-ARENWVFISA-N -1 0 249.241 1.371 50 0 BDAARM O=c1ccc(=O)n(-c2cccc(Cl)c2)[n-]1 ZINC000008691826 372854842 /nfs/dbraw/zinc/85/48/42/372854842.db2.gz UUAXNJKWPGUQJZ-UHFFFAOYSA-N -1 0 222.631 1.592 50 0 BDAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)n1cccn1 ZINC000020154772 182023586 /nfs/dbraw/zinc/02/35/86/182023586.db2.gz AOXNOEBTMWSEFS-LLVKDONJSA-N -1 0 244.250 1.782 50 0 BDAARM O=C([O-])C1(NC(=O)c2ccc(Cl)s2)CC1 ZINC000096424768 182088513 /nfs/dbraw/zinc/08/85/13/182088513.db2.gz WOOQOSZKOUUINM-UHFFFAOYSA-N -1 0 245.687 1.749 50 0 BDAARM O=C([N-]Cc1ccccn1)C(F)(F)F ZINC000005937010 182258409 /nfs/dbraw/zinc/25/84/09/182258409.db2.gz SCEMKHWGDPXKIJ-UHFFFAOYSA-N -1 0 204.151 1.260 50 0 BDAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccccc1 ZINC000070522712 182299051 /nfs/dbraw/zinc/29/90/51/182299051.db2.gz ZLMNTMFXXCAMFO-GHMZBOCLSA-N -1 0 233.267 1.670 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000095961789 182339155 /nfs/dbraw/zinc/33/91/55/182339155.db2.gz QOSLBJKYOWQZLE-SCZZXKLOSA-N -1 0 234.255 1.065 50 0 BDAARM O=C([O-])/C=C/c1cc2ccccc2[nH]c1=O ZINC000000988847 182412280 /nfs/dbraw/zinc/41/22/80/182412280.db2.gz OURWGONIRUVXGY-AATRIKPKSA-N -1 0 215.208 1.626 50 0 BDAARM O=C([O-])C1CCN(Cc2nccs2)CC1 ZINC000020357841 182429347 /nfs/dbraw/zinc/42/93/47/182429347.db2.gz JLVSCRPAAJIAFR-UHFFFAOYSA-N -1 0 226.301 1.440 50 0 BDAARM O=C([O-])CC(=O)Oc1ccc(Cl)cc1 ZINC000002557474 182431216 /nfs/dbraw/zinc/43/12/16/182431216.db2.gz SXSKHZURLGGRNK-UHFFFAOYSA-N -1 0 214.604 1.720 50 0 BDAARM O=C([O-])CCC(=O)NCCc1ccccc1 ZINC000002172603 182432905 /nfs/dbraw/zinc/43/29/05/182432905.db2.gz ZMYKITJYWFYRFJ-UHFFFAOYSA-N -1 0 221.256 1.210 50 0 biogenic BDAARM O=C([O-])CNc1ccccc1C(=O)N1CCCC1 ZINC000055271276 182468661 /nfs/dbraw/zinc/46/86/61/182468661.db2.gz BVZLQYSSKWPSCT-UHFFFAOYSA-N -1 0 248.282 1.419 50 0 BDAARM O=C([O-])C[C@@](O)(c1ccccc1)C1CC1 ZINC000032010620 182481393 /nfs/dbraw/zinc/48/13/93/182481393.db2.gz UZPRCDDDTTZRRE-GFCCVEGCSA-N -1 0 206.241 1.759 50 0 BDAARM O=C([O-])C[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC000100536096 182482150 /nfs/dbraw/zinc/48/21/50/182482150.db2.gz JFMDWSCOQLUOCZ-VSKBNFNDSA-N -1 0 210.273 1.792 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000079124124 182506753 /nfs/dbraw/zinc/50/67/53/182506753.db2.gz OBVACFNORHOAKT-SSDOTTSWSA-N -1 0 245.238 1.000 50 0 BDAARM O=C([O-])[C@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000019421348 182538294 /nfs/dbraw/zinc/53/82/94/182538294.db2.gz YLMGZOAUYHOWFU-VIFPVBQESA-N -1 0 241.193 1.402 50 0 BDAARM O=C([O-])c1cc(-n2cnnn2)ccc1Cl ZINC000000870037 182552370 /nfs/dbraw/zinc/55/23/70/182552370.db2.gz VHQODBRTZLWSNM-UHFFFAOYSA-N -1 0 224.607 1.014 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(C2CC2)CC1 ZINC000097036830 182545384 /nfs/dbraw/zinc/54/53/84/182545384.db2.gz DJJHIOCAVIZSMB-IUCAKERBSA-N -1 0 223.272 1.014 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000032013570 182546927 /nfs/dbraw/zinc/54/69/27/182546927.db2.gz UAAGUSBYBOKQCT-IUCAKERBSA-N -1 0 220.224 1.646 50 0 BDAARM O=C([O-])c1ccc(N2CCCC2)nc1F ZINC000039961315 182568691 /nfs/dbraw/zinc/56/86/91/182568691.db2.gz SLLMHRMILPEKNY-UHFFFAOYSA-N -1 0 210.208 1.519 50 0 BDAARM O=c1cnnc(Nc2cc(Cl)ccc2O)[n-]1 ZINC000005009520 183305448 /nfs/dbraw/zinc/30/54/48/183305448.db2.gz RQGXGKQJMRBYSM-UHFFFAOYSA-N -1 0 238.634 1.680 50 0 BDAARM CCCOC(=S)SCCC(=O)[O-] ZINC000071773001 169301304 /nfs/dbraw/zinc/30/13/04/169301304.db2.gz YCUMSNLTPCDZIQ-UHFFFAOYSA-N -1 0 208.304 1.906 50 0 BDAARM CCC[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000001568158 169397488 /nfs/dbraw/zinc/39/74/88/169397488.db2.gz PZIVHOLHABBQKU-SNVBAGLBSA-N -1 0 221.256 1.670 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2C(=O)[O-] ZINC000095707381 166657302 /nfs/dbraw/zinc/65/73/02/166657302.db2.gz OQCJMHMUVJXYQH-JVHMLUBASA-N -1 0 241.287 1.574 50 0 BDAARM CC(C)(C)OC(=O)NCC12CC(C(=O)[O-])(C1)C2 ZINC000258839861 166660841 /nfs/dbraw/zinc/66/08/41/166660841.db2.gz WVTIQANOLLCYCB-UHFFFAOYSA-N -1 0 241.287 1.766 50 0 BDAARM O=S(=O)([N-]Cc1ccccc1)C(F)(F)F ZINC000000057550 383820855 /nfs/dbraw/zinc/82/08/55/383820855.db2.gz IJHVVEQTOXFGCL-UHFFFAOYSA-N -1 0 239.218 1.626 50 0 BDAARM O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000035024346 383825965 /nfs/dbraw/zinc/82/59/65/383825965.db2.gz YBJHBAHKTGYVGT-ZKWXMUAHSA-N -1 0 244.316 1.001 50 0 endogenous,fda BDAARM COC(=O)[C@]1(C)CC[C@@H](C(=O)[O-])C1(C)C ZINC000000160443 383835893 /nfs/dbraw/zinc/83/58/93/383835893.db2.gz CNHMFZIFLREWPF-CPCISQLKSA-N -1 0 214.261 1.687 50 0 biogenic BDAARM O=C([O-])CSc1n[nH]c(-c2ccncc2)n1 ZINC000000285781 383849734 /nfs/dbraw/zinc/84/97/34/383849734.db2.gz GBXQYKGZCGJCIL-UHFFFAOYSA-N -1 0 236.256 1.043 50 0 BDAARM O=C([O-])C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000035688524 383866798 /nfs/dbraw/zinc/86/67/98/383866798.db2.gz SKXBVWGGQFGPID-ZETCQYMHSA-N -1 0 226.253 1.032 50 0 BDAARM CC(C)[C@H](NC(=O)NC1CCCCC1)C(=O)[O-] ZINC000000546828 383874066 /nfs/dbraw/zinc/87/40/66/383874066.db2.gz LYSPLFOJTNNDFB-JTQLQIEISA-N -1 0 242.319 1.728 50 0 BDAARM C[C@@H](NC(=O)/C=C/C(=O)[O-])c1ccccc1 ZINC000001754806 383933039 /nfs/dbraw/zinc/93/30/39/383933039.db2.gz YBCNEBVTRKGSFM-FCZSHJHJSA-N -1 0 219.240 1.505 50 0 BDAARM O=C(C=Cc1ccc(Cl)cc1)Nc1nn[nH]n1 ZINC000006094964 383888855 /nfs/dbraw/zinc/88/88/55/383888855.db2.gz WYPYPQZRZBZLCS-UTCJRWHESA-N -1 0 249.661 1.505 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1NC(N)=S ZINC000001392930 383895630 /nfs/dbraw/zinc/89/56/30/383895630.db2.gz ONNCBFBNVWNYEE-UHFFFAOYSA-N -1 0 210.258 1.349 50 0 BDAARM CS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000002619062 383981784 /nfs/dbraw/zinc/98/17/84/383981784.db2.gz ZWBQTUAUWSDCKX-UHFFFAOYSA-N -1 0 234.660 1.442 50 0 BDAARM O=C([O-])CCNC(=O)/C=C/c1ccccc1 ZINC000001792743 383936402 /nfs/dbraw/zinc/93/64/02/383936402.db2.gz RHVXIMHTRDBXMQ-VOTSOKGWSA-N -1 0 219.240 1.291 50 0 BDAARM O=C([O-])[C@@H]1O[C@H]1c1ccccc1Br ZINC000067801482 383946365 /nfs/dbraw/zinc/94/63/65/383946365.db2.gz MPYXZBLIAUVRGB-JGVFFNPUSA-N -1 0 243.056 1.974 50 0 BDAARM O=C([O-])[C@@H]1O[C@@H]1c1ccccc1Br ZINC000067801481 383946739 /nfs/dbraw/zinc/94/67/39/383946739.db2.gz MPYXZBLIAUVRGB-HTQZYQBOSA-N -1 0 243.056 1.974 50 0 BDAARM O=C([O-])CSCCOc1ccccc1 ZINC000002159749 383953870 /nfs/dbraw/zinc/95/38/70/383953870.db2.gz SHWKIHWUFNTMIB-UHFFFAOYSA-N -1 0 212.270 1.883 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000050194907 383967920 /nfs/dbraw/zinc/96/79/20/383967920.db2.gz WUQFUPFWBVBGMC-HTQZYQBOSA-N -1 0 213.277 1.402 50 0 BDAARM CC(C)[C@@H](NC(=O)CC(F)(F)F)C(=O)[O-] ZINC000022149433 383974722 /nfs/dbraw/zinc/97/47/22/383974722.db2.gz IFCUCPKSCINVSO-ZCFIWIBFSA-N -1 0 227.182 1.164 50 0 BDAARM CC(=O)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000003379364 384008851 /nfs/dbraw/zinc/00/88/51/384008851.db2.gz LMBHCEXLVUOTAV-QMMMGPOBSA-N -1 0 208.213 1.741 50 0 BDAARM C[C@H](NC(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000004201395 384044604 /nfs/dbraw/zinc/04/46/04/384044604.db2.gz VYCDVTGBGFGGJV-LURJTMIESA-N -1 0 227.647 1.543 50 0 BDAARM O=C([O-])CCc1nc(-c2ccco2)no1 ZINC000003882921 384031639 /nfs/dbraw/zinc/03/16/39/384031639.db2.gz GPXYVWJULSGVSI-UHFFFAOYSA-N -1 0 208.173 1.347 50 0 BDAARM O=C([O-])CSCC(=O)Nc1ccccc1F ZINC000003887889 384033890 /nfs/dbraw/zinc/03/38/90/384033890.db2.gz QTUAYANJBVLYAG-UHFFFAOYSA-N -1 0 243.259 1.582 50 0 BDAARM O=C([O-])Cc1csc(-c2ccncc2)n1 ZINC000004299268 384054850 /nfs/dbraw/zinc/05/48/50/384054850.db2.gz PFZMTUMYAYZFSF-UHFFFAOYSA-N -1 0 220.253 1.832 50 0 BDAARM C[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000061411444 384101629 /nfs/dbraw/zinc/10/16/29/384101629.db2.gz NFSJHJYFIRAVFP-QMMMGPOBSA-N -1 0 244.250 1.438 50 0 BDAARM COC(=O)C1=C([O-])c2ccccc2CC1 ZINC000005248386 384109983 /nfs/dbraw/zinc/10/99/83/384109983.db2.gz YDDRYTDEKAPAHE-JTQLQIEISA-N -1 0 204.225 1.605 50 0 BDAARM COC(=O)c1cc(Br)c([O-])cc1O ZINC000039951719 384124376 /nfs/dbraw/zinc/12/43/76/384124376.db2.gz MZVFWDFRPKIOEV-UHFFFAOYSA-N -1 0 247.044 1.647 50 0 BDAARM O=C([O-])Cc1cn2c(cccc2Cl)n1 ZINC000040447992 384152374 /nfs/dbraw/zinc/15/23/74/384152374.db2.gz FGPSEUSMALHZIU-UHFFFAOYSA-N -1 0 210.620 1.615 50 0 BDAARM O=C([O-])CCOc1cc(F)ccc1F ZINC000070916486 384141179 /nfs/dbraw/zinc/14/11/79/384141179.db2.gz KWZZGDYPPDQVSB-UHFFFAOYSA-N -1 0 202.156 1.818 50 0 BDAARM C[C@H](C(=O)[O-])N1CCO[C@](C)(c2ccccc2)C1 ZINC000299752957 384143682 /nfs/dbraw/zinc/14/36/82/384143682.db2.gz WEBNQLFGAJNWOP-RISCZKNCSA-N -1 0 249.310 1.707 50 0 BDAARM O=C([O-])C1(COc2ccccc2)COC1 ZINC000071654952 384173660 /nfs/dbraw/zinc/17/36/60/384173660.db2.gz MYSCULNSSKBWPP-UHFFFAOYSA-N -1 0 208.213 1.167 50 0 BDAARM O=C([O-])Cn1cnc(-c2ccccc2)n1 ZINC000071508549 384170018 /nfs/dbraw/zinc/17/00/18/384170018.db2.gz WXHAAPOMKCDXFA-UHFFFAOYSA-N -1 0 203.201 1.030 50 0 BDAARM O=C([O-])CCC(=O)NCc1ccccc1Cl ZINC000008021075 384191711 /nfs/dbraw/zinc/19/17/11/384191711.db2.gz NZLYKZUNHUYCRU-UHFFFAOYSA-N -1 0 241.674 1.821 50 0 BDAARM O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1ccoc1 ZINC000072462584 384224183 /nfs/dbraw/zinc/22/41/83/384224183.db2.gz FAUYUEYKBBURSQ-NSHDSACASA-N -1 0 247.254 1.187 50 0 BDAARM CCOCCOc1ccccc1C(=O)[O-] ZINC000009826412 384264594 /nfs/dbraw/zinc/26/45/94/384264594.db2.gz QKQIDUFDIUHVFF-UHFFFAOYSA-N -1 0 210.229 1.800 50 0 BDAARM O=C([O-])Cn1sc(=O)c2ccccc21 ZINC000011920078 384301285 /nfs/dbraw/zinc/30/12/85/384301285.db2.gz RMUQBPKTERUXJS-UHFFFAOYSA-N -1 0 209.226 1.148 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166526 384350212 /nfs/dbraw/zinc/35/02/12/384350212.db2.gz DZLLPMGZWXRTEN-GMSGAONNSA-N -1 0 219.240 1.979 50 0 BDAARM Cn1cc(C(=O)[O-])c2ccccc2c1=O ZINC000013483526 384361849 /nfs/dbraw/zinc/36/18/49/384361849.db2.gz NQDGBUUSUPLGHH-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 biogenic BDAARM O=C([O-])c1ncn(Cc2ccccc2)n1 ZINC000095093157 384362355 /nfs/dbraw/zinc/36/23/55/384362355.db2.gz NECVCOZCCWXGLH-UHFFFAOYSA-N -1 0 203.201 1.025 50 0 BDAARM O=C([O-])C1(c2ncc(Br)cn2)CC1 ZINC000095803038 384398123 /nfs/dbraw/zinc/39/81/23/384398123.db2.gz MYNJIMCHASPXKV-UHFFFAOYSA-N -1 0 243.060 1.355 50 0 BDAARM O=C([O-])c1cc(C2CC2)n2nccc2n1 ZINC000095836576 384401985 /nfs/dbraw/zinc/40/19/85/384401985.db2.gz UVJRGZQAYQQVJX-UHFFFAOYSA-N -1 0 203.201 1.305 50 0 BDAARM O=Cc1c(O)cccc1I ZINC000095709541 384391394 /nfs/dbraw/zinc/39/13/94/384391394.db2.gz OMXBWJYYNNGFIV-UHFFFAOYSA-N -1 0 248.019 1.809 50 0 BDAARM Cn1c2ccc(C(=O)[O-])cc2nc1N1CCCC1 ZINC000096663772 384472631 /nfs/dbraw/zinc/47/26/31/384472631.db2.gz GASHFQCBXPILPN-UHFFFAOYSA-N -1 0 245.282 1.872 50 0 BDAARM O=C([O-])c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC000161186672 384473293 /nfs/dbraw/zinc/47/32/93/384473293.db2.gz BMDXGDJVWUPVIF-UHFFFAOYSA-N -1 0 240.280 1.711 50 0 BDAARM O=C([O-])[C@@H]1Cc2cc(Cl)ccc2C(=O)O1 ZINC000011612450 384491734 /nfs/dbraw/zinc/49/17/34/384491734.db2.gz DVIYHAUVAWYWJW-QMMMGPOBSA-N -1 0 226.615 1.506 50 0 BDAARM Cc1cc(C)cc(-n2nn[n-]c2=S)c1 ZINC000017878178 384494182 /nfs/dbraw/zinc/49/41/82/384494182.db2.gz VRIHMSSVQBZMAW-UHFFFAOYSA-N -1 0 206.274 1.568 50 0 BDAARM O=C([O-])CS(=O)(=O)CCCc1ccccc1 ZINC000019518625 384527432 /nfs/dbraw/zinc/52/74/32/384527432.db2.gz YLNFNPCLXMTRDH-UHFFFAOYSA-N -1 0 242.296 1.119 50 0 BDAARM O=C([O-])[C@H]1CCc2nc(N3CCCC3)ncc2C1 ZINC000097673566 384541812 /nfs/dbraw/zinc/54/18/12/384541812.db2.gz MKAFQKFYQXVJNB-VIFPVBQESA-N -1 0 247.298 1.266 50 0 BDAARM O=C([O-])CN(CC1CC1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000097035483 384561562 /nfs/dbraw/zinc/56/15/62/384561562.db2.gz FMQVZMOEIVOXCK-MNOVXSKESA-N -1 0 237.299 1.356 50 0 BDAARM Cc1cc(C)n(CC(C)C)c(=O)c1C(=O)[O-] ZINC000049819299 384569399 /nfs/dbraw/zinc/56/93/99/384569399.db2.gz GMMYWRGHKYKZHF-UHFFFAOYSA-N -1 0 223.272 1.819 50 0 BDAARM C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCC(=O)[O-] ZINC000299753765 384580798 /nfs/dbraw/zinc/58/07/98/384580798.db2.gz ZGOJEALZNGTMEG-UFBFGSQYSA-N -1 0 249.266 1.142 50 0 BDAARM COC(=O)Cc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000100124833 384619212 /nfs/dbraw/zinc/61/92/12/384619212.db2.gz XRRFUSZYFACUAU-UHFFFAOYSA-N -1 0 232.239 1.293 50 0 BDAARM Nc1nc(C2CC2)nc(C(=O)[O-])c1Cl ZINC000082048866 384644372 /nfs/dbraw/zinc/64/43/72/384644372.db2.gz KWAIHLIXESXTJL-UHFFFAOYSA-N -1 0 213.624 1.288 50 0 in-vitro BDAARM CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC000082164173 384646852 /nfs/dbraw/zinc/64/68/52/384646852.db2.gz JTMAFJQIPKPNFJ-RQJHMYQMSA-N -1 0 215.249 1.374 50 0 BDAARM COc1nc(C(F)(F)F)c(C(=O)[O-])s1 ZINC000050888572 384650886 /nfs/dbraw/zinc/65/08/86/384650886.db2.gz DAGFIURSOZGKLT-UHFFFAOYSA-N -1 0 227.163 1.869 50 0 BDAARM Cn1nc(-c2ccncc2)cc1C(=O)[O-] ZINC000077606198 384706691 /nfs/dbraw/zinc/70/66/91/384706691.db2.gz AIAACORTNIPHEO-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM O=C([O-])[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000052126524 384717652 /nfs/dbraw/zinc/71/76/52/384717652.db2.gz JXJOMJKPHPZPAD-JOYOIKCWSA-N -1 0 204.225 1.811 50 0 BDAARM O=C([O-])Cc1ccc(Br)cc1O ZINC000083072635 384742314 /nfs/dbraw/zinc/74/23/14/384742314.db2.gz GIJMGBHHZPLOHP-UHFFFAOYSA-N -1 0 231.045 1.782 50 0 BDAARM O=C([O-])C(=O)Cc1cccc(Br)c1 ZINC000022221925 384747316 /nfs/dbraw/zinc/74/73/16/384747316.db2.gz BNSGMTRQCHIFQH-UHFFFAOYSA-N -1 0 243.056 1.645 50 0 BDAARM CC/C=C(/C)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000085501062 384769130 /nfs/dbraw/zinc/76/91/30/384769130.db2.gz DSOOXZWJWCBFCE-ABRRARGCSA-N -1 0 225.288 1.808 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/C2CC2)C1 ZINC000095424178 384907367 /nfs/dbraw/zinc/90/73/67/384907367.db2.gz VKHLJHAWJGVSMZ-PORFMDCZSA-N -1 0 223.272 1.276 50 0 BDAARM CC(C)c1c(C(=O)[O-])nnn1-c1cccnc1 ZINC000085367424 384941810 /nfs/dbraw/zinc/94/18/10/384941810.db2.gz JCKWILPOIJFZMZ-UHFFFAOYSA-N -1 0 232.243 1.484 50 0 BDAARM CCc1ncc(Br)c(C(=O)[O-])n1 ZINC000058041902 384980948 /nfs/dbraw/zinc/98/09/48/384980948.db2.gz FTBWYCGHGSATOE-UHFFFAOYSA-N -1 0 231.049 1.500 50 0 BDAARM Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1O ZINC000062722615 385049575 /nfs/dbraw/zinc/04/95/75/385049575.db2.gz OWQWWSQQIIHZNF-UHFFFAOYSA-N -1 0 239.252 1.374 50 0 BDAARM CCc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)o1 ZINC000062119082 385062223 /nfs/dbraw/zinc/06/22/23/385062223.db2.gz OQIUVULSMBSONZ-MRVPVSSYSA-N -1 0 237.255 1.389 50 0 BDAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC000062117543 385062692 /nfs/dbraw/zinc/06/26/92/385062692.db2.gz MAGPYUACZDQKBA-NWALNABHSA-N -1 0 235.239 1.226 50 0 BDAARM O=C([O-])Cn1c(-c2ccco2)n[nH]c1=S ZINC000032099940 385131430 /nfs/dbraw/zinc/13/14/30/385131430.db2.gz CCEBIFFCYWPJFW-UHFFFAOYSA-N -1 0 225.229 1.285 50 0 BDAARM O=C([O-])c1csc(Nc2cccnc2)n1 ZINC000061957856 385147172 /nfs/dbraw/zinc/14/71/72/385147172.db2.gz DAVHHVODAQQKNH-UHFFFAOYSA-N -1 0 221.241 1.980 50 0 BDAARM O=C([O-])Cc1cc2ccccc2[nH]c1=O ZINC000032627476 385175937 /nfs/dbraw/zinc/17/59/37/385175937.db2.gz BWBWECCBFYVYEH-UHFFFAOYSA-N -1 0 203.197 1.155 50 0 BDAARM COC(=O)c1ccc([S@](=O)[O-])cc1 ZINC000015774004 385345045 /nfs/dbraw/zinc/34/50/45/385345045.db2.gz LSRBTEQHXLIBFK-UHFFFAOYSA-N -1 0 200.215 1.054 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2cccc3[nH]ccc32)N1 ZINC000013572918 385352335 /nfs/dbraw/zinc/35/23/35/385352335.db2.gz ROGPMJUBRBCGPW-WDEREUQCSA-N -1 0 248.307 1.956 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000062912939 385620632 /nfs/dbraw/zinc/62/06/32/385620632.db2.gz FFTXYJSSNUKPPE-GWCFXTLKSA-N -1 0 237.299 1.666 50 0 BDAARM CC(C)=CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000034972124 385647788 /nfs/dbraw/zinc/64/77/88/385647788.db2.gz QDERJEQABJIQNQ-VIFPVBQESA-N -1 0 211.261 1.276 50 0 BDAARM CC[C@H](NC(=O)/C=C(\C)C1CC1)C(=O)[O-] ZINC000221725632 385693823 /nfs/dbraw/zinc/69/38/23/385693823.db2.gz VRSXMRBHJRERQP-UCUJLANTSA-N -1 0 211.261 1.322 50 0 BDAARM CC(C)c1occc1C(=O)N[C@H](C)C(=O)[O-] ZINC000263193012 385942980 /nfs/dbraw/zinc/94/29/80/385942980.db2.gz TVTCARMMRSBLLD-SSDOTTSWSA-N -1 0 225.244 1.606 50 0 BDAARM O=C([O-])Cc1cccc(NC(=O)c2ccon2)c1 ZINC000087844521 386791475 /nfs/dbraw/zinc/79/14/75/386791475.db2.gz IPGXEBOJIXFQHL-UHFFFAOYSA-N -1 0 246.222 1.554 50 0 BDAARM COc1cc(CNC(=O)C2CC2)ccc1C(=O)[O-] ZINC000237335575 387050868 /nfs/dbraw/zinc/05/08/68/387050868.db2.gz MVJKPCFGYZWAQP-UHFFFAOYSA-N -1 0 249.266 1.420 50 0 BDAARM CC(C)(CC(=O)[O-])NC(=O)c1ccccc1 ZINC000001732856 387270372 /nfs/dbraw/zinc/27/03/72/387270372.db2.gz WRGBHKHZVLYFDN-UHFFFAOYSA-N -1 0 221.256 1.670 50 0 BDAARM C[C@H](C(=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000237445002 387541799 /nfs/dbraw/zinc/54/17/99/387541799.db2.gz STMDXYAYYIHUCH-PSASIEDQSA-N -1 0 241.312 1.595 50 0 BDAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccncc1 ZINC000069837747 387717518 /nfs/dbraw/zinc/71/75/18/387717518.db2.gz VPPYZVVHHZYSBU-QMMMGPOBSA-N -1 0 222.244 1.065 50 0 BDAARM Cc1cc(C(=O)[O-])c(CSc2nc[nH]n2)o1 ZINC000006499182 387919099 /nfs/dbraw/zinc/91/90/99/387919099.db2.gz PSKJNTBEQBLDNV-UHFFFAOYSA-N -1 0 239.256 1.697 50 0 BDAARM C[C@@H]1CCC[C@H](N2C[C@H](C(=O)[O-])CC2=O)[C@H]1C ZINC000238850886 387936453 /nfs/dbraw/zinc/93/64/53/387936453.db2.gz DFUFTEQOJINPSJ-YTWAJWBKSA-N -1 0 239.315 1.744 50 0 BDAARM CCCCCOCC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000089953464 388376204 /nfs/dbraw/zinc/37/62/04/388376204.db2.gz IPAJFSWVLMZVTJ-SECBINFHSA-N -1 0 231.292 1.125 50 0 BDAARM CC(=O)c1ccc(NC(=O)C(C)=CC(=O)[O-])cc1 ZINC000009489430 388377835 /nfs/dbraw/zinc/37/78/35/388377835.db2.gz OVXNNLSOMIGIJN-FPLPWBNLSA-N -1 0 247.250 1.859 50 0 BDAARM Cc1cc(Br)cnc1C(=O)[O-] ZINC000023583819 177723626 /nfs/dbraw/zinc/72/36/26/177723626.db2.gz GSOCTKHBFREQCV-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM O=C(c1c([O-])cc(F)cc1F)N1CCCC1 ZINC000066041571 388680869 /nfs/dbraw/zinc/68/08/69/388680869.db2.gz GGBIQVOUSHQIOQ-UHFFFAOYSA-N -1 0 227.210 1.906 50 0 BDAARM CO[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000079043375 388744334 /nfs/dbraw/zinc/74/43/34/388744334.db2.gz RNUSXAOKTOBQPN-LURJTMIESA-N -1 0 247.653 1.924 50 0 BDAARM CSC[C@H](C)C(=O)N(CC(=O)[O-])C1CC1 ZINC000095969894 388796551 /nfs/dbraw/zinc/79/65/51/388796551.db2.gz SZKQOSKVTBZUGA-ZETCQYMHSA-N -1 0 231.317 1.061 50 0 BDAARM CC(C)[C@@H](NC(=O)CC[C@@H]1CCCO1)C(=O)[O-] ZINC000037432864 388812666 /nfs/dbraw/zinc/81/26/66/388812666.db2.gz BYTMLOPCUWOLGL-GXSJLCMTSA-N -1 0 243.303 1.171 50 0 BDAARM O=C([O-])c1ccc(Cl)c(N2CCOCC2)c1 ZINC000004245084 132316475 /nfs/dbraw/zinc/31/64/75/132316475.db2.gz DHQJUAWXZZYMHR-UHFFFAOYSA-N -1 0 241.674 1.875 50 0 BDAARM Cc1cc(C)nc(N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000012954345 132321761 /nfs/dbraw/zinc/32/17/61/132321761.db2.gz JMMVIQKIKSJKFE-SNVBAGLBSA-N -1 0 235.287 1.537 50 0 BDAARM O=C([O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000020079734 132329966 /nfs/dbraw/zinc/32/99/66/132329966.db2.gz WDOYQIXUKGKGHT-UHFFFAOYSA-N -1 0 225.219 1.361 50 0 BDAARM O=C([O-])c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021924093 132331947 /nfs/dbraw/zinc/33/19/47/132331947.db2.gz NNMFHYLZRLDOPL-NSHDSACASA-N -1 0 246.266 1.696 50 0 BDAARM CC/C=C(\C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000221082780 134318720 /nfs/dbraw/zinc/31/87/20/134318720.db2.gz KANMQQCCGJCMSM-WXLQGSQKSA-N -1 0 241.287 1.045 50 0 BDAARM CN(CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000261538211 135175688 /nfs/dbraw/zinc/17/56/88/135175688.db2.gz XMIXDSACOBKCJK-UHFFFAOYSA-N -1 0 240.206 1.683 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)c1ccsc1)C1CC1 ZINC000261583798 135225026 /nfs/dbraw/zinc/22/50/26/135225026.db2.gz PFDUQIBOMJQTBP-SSDOTTSWSA-N -1 0 239.296 1.826 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CCCCO1)C1CC1 ZINC000261933726 135264577 /nfs/dbraw/zinc/26/45/77/135264577.db2.gz LTHUEYVBMAQBOY-WPRPVWTQSA-N -1 0 241.287 1.020 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)C[C@H]1C=CCC1)C1CC1 ZINC000262392643 135298839 /nfs/dbraw/zinc/29/88/39/135298839.db2.gz FZYHKWIWCAFDHF-UWVGGRQHSA-N -1 0 237.299 1.807 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC=CCC1)C1CC1 ZINC000262439700 135299533 /nfs/dbraw/zinc/29/95/33/135299533.db2.gz NSJFJLPLPIHRLP-NXEZZACHSA-N -1 0 237.299 1.807 50 0 BDAARM Cc1c[nH]cc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262844741 135321792 /nfs/dbraw/zinc/32/17/92/135321792.db2.gz CNRCVOAVGHZJKT-SECBINFHSA-N -1 0 236.271 1.402 50 0 BDAARM CCN(CCC1CC1)c1cnc(C(=O)[O-])cn1 ZINC000263353028 135349314 /nfs/dbraw/zinc/34/93/14/135349314.db2.gz QJTCPFIZVGBFIH-UHFFFAOYSA-N -1 0 235.287 1.801 50 0 BDAARM C[C@@]1(C(=O)[O-])CCN(c2ncnc3[nH]ccc32)C1 ZINC000263392090 135351225 /nfs/dbraw/zinc/35/12/25/135351225.db2.gz GNUJKJJYISJBJQ-GFCCVEGCSA-N -1 0 246.270 1.259 50 0 BDAARM Cc1ccc(NC(=O)[C@@H](C)C(=O)[O-])c(O)c1 ZINC000263546096 135359688 /nfs/dbraw/zinc/35/96/88/135359688.db2.gz HAMHONNVCQJARM-SSDOTTSWSA-N -1 0 223.228 1.360 50 0 BDAARM Cc1cccc(F)c1NC(=O)[C@H](C)C(=O)[O-] ZINC000165708143 135578595 /nfs/dbraw/zinc/57/85/95/135578595.db2.gz QEHRQCBEDLQTIE-ZETCQYMHSA-N -1 0 225.219 1.793 50 0 BDAARM Cc1nccn1-c1ccccc1C(=O)[O-] ZINC000036047148 398020827 /nfs/dbraw/zinc/02/08/27/398020827.db2.gz PDOVVVXGESUKQF-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM CN(c1ccccc1)c1cc(C(=O)[O-])ncn1 ZINC000071533936 397975212 /nfs/dbraw/zinc/97/52/12/397975212.db2.gz IYQKOZAFGVWLKC-UHFFFAOYSA-N -1 0 229.239 1.943 50 0 BDAARM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000114494296 322863258 /nfs/dbraw/zinc/86/32/58/322863258.db2.gz BPUPMHVBVYPFDZ-IUCAKERBSA-N -1 0 243.303 1.964 50 0 BDAARM CC(C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000007305937 167130549 /nfs/dbraw/zinc/13/05/49/167130549.db2.gz QEWWPEMLRYNNOU-UHFFFAOYSA-N -1 0 235.255 1.652 50 0 BDAARM Cc1cccc2c1CCN2C(=O)C1(C(=O)[O-])CC1 ZINC000118994015 409919059 /nfs/dbraw/zinc/91/90/59/409919059.db2.gz LWVOXQVXRMAPIT-UHFFFAOYSA-N -1 0 245.278 1.749 50 0 BDAARM CC(C)(C)NC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000035390559 166622023 /nfs/dbraw/zinc/62/20/23/166622023.db2.gz RAAPXVRHYBAJQU-SSDOTTSWSA-N -1 0 230.308 1.583 50 0 in-vitro BDAARM CC(C)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000020230794 166704409 /nfs/dbraw/zinc/70/44/09/166704409.db2.gz URPMHDFQMQFHJN-UHFFFAOYSA-N -1 0 221.256 1.760 50 0 BDAARM CC(C)NC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000020209145 167077377 /nfs/dbraw/zinc/07/73/77/167077377.db2.gz BPBFQUIEYLITPP-UHFFFAOYSA-N -1 0 238.243 1.620 50 0 BDAARM CC(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000000129837 167081625 /nfs/dbraw/zinc/08/16/25/167081625.db2.gz LKHIMICNMRXHFN-RKDXNWHRSA-N -1 0 213.277 1.402 50 0 BDAARM CC(C)OCCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000236787510 167197109 /nfs/dbraw/zinc/19/71/09/167197109.db2.gz YGWJMOUWOUUFAK-GFCCVEGCSA-N -1 0 243.303 1.125 50 0 BDAARM CC(C)[C@@H]1CCC(=O)C[C@@H]1OCC(=O)[O-] ZINC000000392921 167466225 /nfs/dbraw/zinc/46/62/25/167466225.db2.gz PPPCNBYRWDHKNV-UWVGGRQHSA-N -1 0 214.261 1.481 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCc1cccnc1 ZINC000061721230 168005012 /nfs/dbraw/zinc/00/50/12/168005012.db2.gz WKUDJIBRRJAJEL-UWVGGRQHSA-N -1 0 248.282 1.055 50 0 BDAARM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[O-])C(=O)C2 ZINC000001542202 168010902 /nfs/dbraw/zinc/01/09/02/168010902.db2.gz MIOPJNTWMNEORI-XVKPBYJWSA-N -1 0 232.301 1.270 50 0 in-vitro BDAARM Cc1onc(C(=O)[O-])c1CN1CCC(C)=N1 ZINC000034925974 168134167 /nfs/dbraw/zinc/13/41/67/168134167.db2.gz ZDJSHWWUJHJKLZ-UHFFFAOYSA-N -1 0 223.232 1.263 50 0 BDAARM CCOC(=O)C[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000061997427 170233463 /nfs/dbraw/zinc/23/34/63/170233463.db2.gz PNBDOJYWQFKNKV-SNVBAGLBSA-N -1 0 246.270 1.285 50 0 BDAARM CCOC(=O)C1=C([O-])c2ccccc2CC1 ZINC000004804383 170259381 /nfs/dbraw/zinc/25/93/81/170259381.db2.gz DOKKVPGOHCOXLC-LLVKDONJSA-N -1 0 218.252 1.995 50 0 BDAARM CCOC(=O)[C@H](c1ccccc1)S(=O)(=O)[O-] ZINC000004800550 170278805 /nfs/dbraw/zinc/27/88/05/170278805.db2.gz PCVCTIGKSSKWKX-VIFPVBQESA-N -1 0 244.268 1.179 50 0 BDAARM Cc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000000030996 411709031 /nfs/dbraw/zinc/70/90/31/411709031.db2.gz VZKONKADGOAYGR-UHFFFAOYSA-N -1 0 242.325 1.976 50 0 BDAARM CCOc1cc(C(=O)[O-])c(Br)cn1 ZINC000238261320 170517820 /nfs/dbraw/zinc/51/78/20/170517820.db2.gz QXZUYOLHQYEFFP-UHFFFAOYSA-N -1 0 246.060 1.941 50 0 BDAARM CCOc1ccc(OC)cc1CC(=O)[O-] ZINC000020134018 170554486 /nfs/dbraw/zinc/55/44/86/170554486.db2.gz SKBSZAKPEASKMK-UHFFFAOYSA-N -1 0 210.229 1.721 50 0 BDAARM CCOc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000002731908 170557213 /nfs/dbraw/zinc/55/72/13/170557213.db2.gz VNQCEHOLSJDEMQ-QMMMGPOBSA-N -1 0 210.229 1.937 50 0 BDAARM CC[C@@H](C)N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000150011 170732120 /nfs/dbraw/zinc/73/21/20/170732120.db2.gz PZJIUMRRAXHPLT-SSDOTTSWSA-N -1 0 247.250 1.779 50 0 BDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccoc1 ZINC000097018227 171163410 /nfs/dbraw/zinc/16/34/10/171163410.db2.gz VNXHKURHQSKYSV-NSHDSACASA-N -1 0 225.244 1.653 50 0 BDAARM CC[C@H](C)NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000002393365 171330064 /nfs/dbraw/zinc/33/00/64/171330064.db2.gz AHZMCJBRKVTAMV-YUMQZZPRSA-N -1 0 216.281 1.193 50 0 BDAARM CCc1ccc(C(=O)NC2(C(=O)[O-])CCC2)o1 ZINC000095967061 171784735 /nfs/dbraw/zinc/78/47/35/171784735.db2.gz XKPQXAZXMMROCR-UHFFFAOYSA-N -1 0 237.255 1.579 50 0 BDAARM CCc1cccc(C)c1N1C[C@H](C(=O)[O-])CC1=O ZINC000000151456 171853009 /nfs/dbraw/zinc/85/30/09/171853009.db2.gz VOEGRWXDUVMFJV-LLVKDONJSA-N -1 0 247.294 1.995 50 0 BDAARM CCc1nnc([N-]C(=O)c2cc(C)no2)s1 ZINC000006789388 172058965 /nfs/dbraw/zinc/05/89/65/172058965.db2.gz XSAKINLKEDMEJJ-UHFFFAOYSA-N -1 0 238.272 1.649 50 0 BDAARM CN(C)c1ccc(-c2noc(N)c2C(=O)[O-])cc1 ZINC000006027077 172548166 /nfs/dbraw/zinc/54/81/66/172548166.db2.gz ALGCUNJSSBQIPF-UHFFFAOYSA-N -1 0 247.254 1.688 50 0 BDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000057954776 172966198 /nfs/dbraw/zinc/96/61/98/172966198.db2.gz YAFCYESBJWJEMX-ONGXEEELSA-N -1 0 237.230 1.430 50 0 BDAARM CNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000263524367 173309595 /nfs/dbraw/zinc/30/95/95/173309595.db2.gz JBDPXBFQKDJIHJ-UHFFFAOYSA-N -1 0 237.255 1.126 50 0 BDAARM CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047056122 173311568 /nfs/dbraw/zinc/31/15/68/173311568.db2.gz GLAGWNHZRILTPQ-UHFFFAOYSA-N -1 0 235.268 1.358 50 0 BDAARM CNC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000000612242 173316648 /nfs/dbraw/zinc/31/66/48/173316648.db2.gz JAMXHIOAHPOQMY-UHFFFAOYSA-N -1 0 224.285 1.609 50 0 BDAARM COCCOCc1cc(C(=O)[O-])ccc1F ZINC000062761101 174364670 /nfs/dbraw/zinc/36/46/70/174364670.db2.gz JIAQCDZCGINMFQ-UHFFFAOYSA-N -1 0 228.219 1.687 50 0 BDAARM COCCOc1ccc(C(=O)[O-])cc1F ZINC000020080587 174367434 /nfs/dbraw/zinc/36/74/34/174367434.db2.gz LOUFGTOHKSVJIE-UHFFFAOYSA-N -1 0 214.192 1.549 50 0 BDAARM COCCOc1ccc(CCC(=O)[O-])cc1N ZINC000002557735 174368686 /nfs/dbraw/zinc/36/86/86/174368686.db2.gz MWONQOYWLONRHL-UHFFFAOYSA-N -1 0 239.271 1.311 50 0 BDAARM COc1cc(OC)c(C(=O)[O-])cc1OC ZINC000000388242 175006974 /nfs/dbraw/zinc/00/69/74/175006974.db2.gz KVZUCOGWKYOPID-UHFFFAOYSA-N -1 0 212.201 1.411 50 0 biogenic,in-vitro BDAARM COc1ccc(-c2ccc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000004002540 175032324 /nfs/dbraw/zinc/03/23/24/175032324.db2.gz FQXDUENLSLFAOZ-UHFFFAOYSA-N -1 0 245.234 1.749 50 0 biogenic BDAARM COc1ccc(-c2cn(CC(=O)[O-])cn2)cc1 ZINC000066442667 175035784 /nfs/dbraw/zinc/03/57/84/175035784.db2.gz UAUMPWCZJRDXPU-UHFFFAOYSA-N -1 0 232.239 1.643 50 0 BDAARM COc1ccc(/C=C(/NC(C)=O)C(=O)[O-])cc1 ZINC000000432934 175046576 /nfs/dbraw/zinc/04/65/76/175046576.db2.gz NPEYOJSWXAGTJW-YRNVUSSQSA-N -1 0 235.239 1.257 50 0 BDAARM COc1ccc(C2=NO[C@@H](CC(=O)[O-])C2)cc1 ZINC000034521852 175085671 /nfs/dbraw/zinc/08/56/71/175085671.db2.gz CFZUPCFKZGJDQX-SNVBAGLBSA-N -1 0 235.239 1.663 50 0 BDAARM COc1ccc(CC(=O)[O-])c(Cl)c1OC ZINC000082297353 175087120 /nfs/dbraw/zinc/08/71/20/175087120.db2.gz RAMSELFCQDNGKU-UHFFFAOYSA-N -1 0 230.647 1.984 50 0 BDAARM COc1ccc(OC)c2c(O)c(C(=O)[O-])cnc12 ZINC000004952736 175169926 /nfs/dbraw/zinc/16/99/26/175169926.db2.gz UMRUDNVGDOZXDW-UHFFFAOYSA-N -1 0 249.222 1.244 50 0 biogenic BDAARM COc1ccc(OCc2nc(C(=O)[O-])co2)cc1 ZINC000067757299 175173170 /nfs/dbraw/zinc/17/31/70/175173170.db2.gz OUWJSYCAWWEZJQ-UHFFFAOYSA-N -1 0 249.222 1.960 50 0 BDAARM COc1ccc([C@H](O)CC(=O)[O-])cc1OC ZINC000032106277 175193394 /nfs/dbraw/zinc/19/33/94/175193394.db2.gz BGTJRHOBUSFVCL-MRVPVSSYSA-N -1 0 226.228 1.212 50 0 BDAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000138417 175198817 /nfs/dbraw/zinc/19/88/17/175198817.db2.gz ZQRSXNJVEHLFCE-UWVGGRQHSA-N -1 0 239.296 1.483 50 0 BDAARM COc1cccc(-c2ccc(C(=O)[O-])c(=O)[nH]2)c1 ZINC000013483577 175234213 /nfs/dbraw/zinc/23/42/13/175234213.db2.gz JKEWKUVRLNDQHD-UHFFFAOYSA-N -1 0 245.234 1.749 50 0 BDAARM COc1cccc(OCCCC(=O)[O-])c1 ZINC000011958845 175283121 /nfs/dbraw/zinc/28/31/21/175283121.db2.gz UHJSBFAGGAXAIU-UHFFFAOYSA-N -1 0 210.229 1.939 50 0 BDAARM COc1cccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c1 ZINC000040162855 175291775 /nfs/dbraw/zinc/29/17/75/175291775.db2.gz OMBSJXKIDSUKKC-CMPLNLGQSA-N -1 0 249.266 1.299 50 0 BDAARM COc1ccccc1Nc1nc(=O)c(C)n[n-]1 ZINC000013114057 175340118 /nfs/dbraw/zinc/34/01/18/175340118.db2.gz XWKGEGYCNHFTTJ-UHFFFAOYSA-N -1 0 232.243 1.226 50 0 BDAARM COc1nc(OC)c(OC)c(C(=O)[O-])c1Cl ZINC000078494340 175395920 /nfs/dbraw/zinc/39/59/20/175395920.db2.gz OYXIUWKKALTRAS-UHFFFAOYSA-N -1 0 247.634 1.459 50 0 BDAARM COc1ncc(Cl)c(C(=O)[O-])c1OC ZINC000066054174 175399958 /nfs/dbraw/zinc/39/99/58/175399958.db2.gz UGNGWVBHFYKDCD-UHFFFAOYSA-N -1 0 217.608 1.450 50 0 BDAARM C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)[O-] ZINC000011888972 175849149 /nfs/dbraw/zinc/84/91/49/175849149.db2.gz SFPYKWFRFTVWDH-SCSAIBSYSA-N -1 0 247.172 1.307 50 0 BDAARM C[C@@H](SCC(=O)N[C@H](C)C1CC1)C(=O)[O-] ZINC000032745096 176006772 /nfs/dbraw/zinc/00/67/72/176006772.db2.gz YHLIVGODCRZVBC-RNFRBKRXSA-N -1 0 231.317 1.107 50 0 BDAARM C[C@@H](c1c[nH]c2ccccc21)[C@H](O)C(=O)[O-] ZINC000012401854 176013342 /nfs/dbraw/zinc/01/33/42/176013342.db2.gz NUFXPJOTSOMKFZ-CPCISQLKSA-N -1 0 219.240 1.717 50 0 biogenic,in-vitro BDAARM C[C@@]1(C(=O)[O-])Sc2ccccc2NC1=O ZINC000006183323 176528352 /nfs/dbraw/zinc/52/83/52/176528352.db2.gz KNYBGIVEDGJSBH-SNVBAGLBSA-N -1 0 223.253 1.574 50 0 BDAARM C[C@H](C(=O)[O-])n1cc(Br)cn1 ZINC000002537570 176587268 /nfs/dbraw/zinc/58/72/68/176587268.db2.gz QJDBHMKKZWMMJU-SCSAIBSYSA-N -1 0 219.038 1.291 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000100978574 176601450 /nfs/dbraw/zinc/60/14/50/176601450.db2.gz RBXBZCVQGXQQDT-DCAQKATOSA-N -1 0 241.331 1.992 50 0 BDAARM C[C@H](NC(=O)CCC1CCCCC1)C(=O)[O-] ZINC000019404681 176790792 /nfs/dbraw/zinc/79/07/92/176790792.db2.gz UCJDRRWORMCSMU-VIFPVBQESA-N -1 0 227.304 1.936 50 0 BDAARM C[C@H](OC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000389515 177019385 /nfs/dbraw/zinc/01/93/85/177019385.db2.gz HYIHYWQSOXTJFS-ZETCQYMHSA-N -1 0 209.201 1.708 50 0 BDAARM C[C@H](Oc1ccc(/C=C/[N+](=O)[O-])cc1)C(=O)[O-] ZINC000004740771 177022210 /nfs/dbraw/zinc/02/22/10/177022210.db2.gz UFETXHCRRLPDAC-CZEYKFRCSA-N -1 0 237.211 1.786 50 0 BDAARM C[C@H]1C(=O)N=C([O-])N1c1ccc(Cl)cc1 ZINC000004219004 177058125 /nfs/dbraw/zinc/05/81/25/177058125.db2.gz YRTFBBSKIRZNAW-LURJTMIESA-N -1 0 224.647 1.785 50 0 BDAARM C[C@H]1CC(C)(C)NC(=S)N1CCCC(=O)[O-] ZINC000019737444 177064143 /nfs/dbraw/zinc/06/41/43/177064143.db2.gz AGIPFUHLMKYYIT-QMMMGPOBSA-N -1 0 244.360 1.599 50 0 BDAARM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000039941248 177151075 /nfs/dbraw/zinc/15/10/75/177151075.db2.gz IFPZGYNNPYYDGA-DTWKUNHWSA-N -1 0 243.303 1.964 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013448992 177340168 /nfs/dbraw/zinc/34/01/68/177340168.db2.gz VHWQJLNKTOVFNF-KWQFWETISA-N -1 0 245.278 1.930 50 0 BDAARM Cc1c(C(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000003884544 177572630 /nfs/dbraw/zinc/57/26/30/177572630.db2.gz ATHWFQXBAUJWOW-UHFFFAOYSA-N -1 0 235.218 1.472 50 0 BDAARM Cc1ccccc1-n1ncc(C(=O)[O-])c1N ZINC000101095094 487685103 /nfs/dbraw/zinc/68/51/03/487685103.db2.gz HPIXOQIRYONQPW-UHFFFAOYSA-N -1 0 217.228 1.291 50 0 BDAARM CC[C@@H](C)[C@@H](NC(=O)CCCCl)C(=O)[O-] ZINC000003018339 487820172 /nfs/dbraw/zinc/82/01/72/487820172.db2.gz LGDYCBRZRZHANL-VXNVDRBHSA-N -1 0 235.711 1.621 50 0 BDAARM O=C([O-])c1ncccc1-c1ccc(CO)cc1 ZINC000065347316 322946070 /nfs/dbraw/zinc/94/60/70/322946070.db2.gz DKNNEDTUDAFYKL-UHFFFAOYSA-N -1 0 229.235 1.939 50 0 BDAARM Cn1cc(C([O-])=CC(=O)C(F)(F)F)cn1 ZINC000100497231 487945977 /nfs/dbraw/zinc/94/59/77/487945977.db2.gz RIHPNZIIOUVBPU-UHFFFAOYSA-N -1 0 220.150 1.124 50 0 BDAARM CC(=O)c1c(C)nn([C@H](C)CC(=O)[O-])c1C ZINC000000818957 322810044 /nfs/dbraw/zinc/81/00/44/322810044.db2.gz UHEKEXSWYZMSDA-ZCFIWIBFSA-N -1 0 224.260 1.738 50 0 BDAARM CC(C)[C@H]1C=CCN1C(=O)CCCC(=O)[O-] ZINC000534575209 323153790 /nfs/dbraw/zinc/15/37/90/323153790.db2.gz DICVQTCGKLSLMN-SNVBAGLBSA-N -1 0 225.288 1.664 50 0 BDAARM O=C([O-])C1(NC(=O)Cc2cccnc2)CCCC1 ZINC000054289769 323171936 /nfs/dbraw/zinc/17/19/36/323171936.db2.gz CIRKFVYBGBZBIU-UHFFFAOYSA-N -1 0 248.282 1.138 50 0 BDAARM O=C([O-])CNC(=O)CCCC(=O)c1ccccc1 ZINC000170568827 323172390 /nfs/dbraw/zinc/17/23/90/323172390.db2.gz BHEPNTKPMOYMCA-UHFFFAOYSA-N -1 0 249.266 1.240 50 0 BDAARM Cc1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000103503047 323252005 /nfs/dbraw/zinc/25/20/05/323252005.db2.gz BSNKVZSZJNIZDE-ZADCQDASSA-N -1 0 249.266 1.677 50 0 BDAARM O=C([O-])C1(Cc2cccnc2)CCOCC1 ZINC000077010629 490326958 /nfs/dbraw/zinc/32/69/58/490326958.db2.gz ODVSGXBKROKKOJ-UHFFFAOYSA-N -1 0 221.256 1.506 50 0 BDAARM Cc1noc(C)c1[N-]S(=O)(=O)CC(C)C ZINC000084025609 490363329 /nfs/dbraw/zinc/36/33/29/490363329.db2.gz IARKMQXGJJNTMX-UHFFFAOYSA-N -1 0 232.305 1.689 50 0 BDAARM Cc1ccc2c(=O)c(C(=O)[O-])cnc-2[nH]1 ZINC000008627647 491087214 /nfs/dbraw/zinc/08/72/14/491087214.db2.gz WHJTTWIMQIGVJK-UHFFFAOYSA-N -1 0 204.185 1.342 50 0 biogenic BDAARM CCn1c(=O)[nH]c2ccc(C(=O)[O-])cc21 ZINC000107147214 523095048 /nfs/dbraw/zinc/09/50/48/523095048.db2.gz SRKAYPNQWBNHTG-UHFFFAOYSA-N -1 0 206.201 1.048 50 0 BDAARM C[C@@H]1CCC[C@H](NC(=O)COCC(=O)[O-])[C@H]1C ZINC000242547895 524396766 /nfs/dbraw/zinc/39/67/66/524396766.db2.gz KXZFPZXUSZQUTH-UTLUCORTSA-N -1 0 243.303 1.029 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C2CC2)C1 ZINC000252486544 526283446 /nfs/dbraw/zinc/28/34/46/526283446.db2.gz LGDYPCFQWWENAY-RCWTZXSCSA-N -1 0 237.299 1.402 50 0 BDAARM Cc1oc(CNC(=O)C2CC=CC2)cc1C(=O)[O-] ZINC000085159745 526772619 /nfs/dbraw/zinc/77/26/19/526772619.db2.gz CJNDRQSUMDVRRE-UHFFFAOYSA-N -1 0 249.266 1.869 50 0 BDAARM CC1(C(=O)c2nc(C(=O)[O-])cs2)CC1 ZINC000757125769 582500655 /nfs/dbraw/zinc/50/06/55/582500655.db2.gz TXFOTUPKFMXXOH-UHFFFAOYSA-N -1 0 211.242 1.824 50 0 BDAARM Cc1ccc(/C=C\C(=O)NCCC(=O)[O-])c(C)c1 ZINC000208019252 583056254 /nfs/dbraw/zinc/05/62/54/583056254.db2.gz CDKGFPBWLHOVSE-WAYWQWQTSA-N -1 0 247.294 1.908 50 0 BDAARM O=C([O-])c1ncn(Cc2cccc(F)c2)n1 ZINC000211502784 591178461 /nfs/dbraw/zinc/17/84/61/591178461.db2.gz ISBSIEGNSXCUOK-UHFFFAOYSA-N -1 0 221.191 1.164 50 0 BDAARM COc1ccc(Nc2cn(C)nc2C(=O)[O-])cc1 ZINC000006701860 635475178 /nfs/dbraw/zinc/47/51/78/635475178.db2.gz DGOFLKNYHJXUMF-UHFFFAOYSA-N -1 0 247.254 1.871 50 0 BDAARM CC([O-])=C1C(=O)CC(c2ccccc2)CC1=O ZINC000101407114 631702693 /nfs/dbraw/zinc/70/26/93/631702693.db2.gz FFRZBJZNGBJEPS-UHFFFAOYSA-N -1 0 230.263 1.907 50 0 BDAARM O=C([O-])CCCCc1scc2[nH]c(=O)[nH]c21 ZINC000039234045 641211378 /nfs/dbraw/zinc/21/13/78/641211378.db2.gz AEKJLVWBPNZVGQ-UHFFFAOYSA-N -1 0 240.284 1.715 50 0 BDAARM O=C([O-])[C@H](O)Cc1cc(Cl)cc(Cl)c1 ZINC000076164170 643131036 /nfs/dbraw/zinc/13/10/36/643131036.db2.gz WAPRDUNGVFMJAK-MRVPVSSYSA-N -1 0 235.066 1.981 50 0 BDAARM C[C@@H]1[C@H](O)CC[C@@]1(C(=O)[O-])c1ccccc1 ZINC000002090393 643428638 /nfs/dbraw/zinc/42/86/38/643428638.db2.gz METRELNUPXWZHY-XWIASGKRSA-N -1 0 220.268 1.800 50 0 BDAARM O=C([O-])COCc1cc(Cl)ccn1 ZINC000958528601 644808127 /nfs/dbraw/zinc/80/81/27/644808127.db2.gz RCTMHCRKQATGRD-UHFFFAOYSA-N -1 0 201.609 1.336 50 0 BDAARM O=C([O-])CCCS(=O)(=O)c1ccc(F)cc1 ZINC000020223569 957130338 /nfs/dbraw/zinc/13/03/38/957130338.db2.gz LZBBPZQDXQXENH-UHFFFAOYSA-N -1 0 246.259 1.464 50 0 BDAARM Cc1cc(Cl)c(S(=O)(=O)[O-])cc1N ZINC000034410384 178061075 /nfs/dbraw/zinc/06/10/75/178061075.db2.gz JFKLFVCDERLWCU-UHFFFAOYSA-N -1 0 221.665 1.477 50 0 BDAARM CC(C)(O)[C@@H](Oc1ccccc1)C(=O)[O-] ZINC000075619122 398224393 /nfs/dbraw/zinc/22/43/93/398224393.db2.gz PELCOGJEMHVRGX-VIFPVBQESA-N -1 0 210.229 1.290 50 0 BDAARM Cc1cc(Nc2ccc(C(=O)[O-])c(O)c2)ncn1 ZINC000011903104 178192484 /nfs/dbraw/zinc/19/24/84/178192484.db2.gz JLKVSNMDGVLETB-UHFFFAOYSA-N -1 0 245.238 1.932 50 0 BDAARM CCc1onc(-c2c[nH]cn2)c1C(=O)[O-] ZINC000020440953 538931578 /nfs/dbraw/zinc/93/15/78/538931578.db2.gz CJNJZYBRDGHVPY-UHFFFAOYSA-N -1 0 207.189 1.325 50 0 BDAARM Cc1cc(S(=O)(=O)[O-])cc(C)c1N ZINC000001675017 178216507 /nfs/dbraw/zinc/21/65/07/178216507.db2.gz KOUGFWUPYWULKP-UHFFFAOYSA-N -1 0 201.247 1.132 50 0 BDAARM Cc1c(CC(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000011888023 178350128 /nfs/dbraw/zinc/35/01/28/178350128.db2.gz CMXKUAOBCUZCOQ-UHFFFAOYSA-N -1 0 231.255 1.511 50 0 BDAARM Cc1ccc(-n2nn[n-]c2=S)cc1C ZINC000006556869 178350145 /nfs/dbraw/zinc/35/01/45/178350145.db2.gz YMJBFGNECRVKEH-UHFFFAOYSA-N -1 0 206.274 1.942 50 0 BDAARM Cc1ccc(-n2ccnn2)c(C(=O)[O-])c1 ZINC000095080365 178346925 /nfs/dbraw/zinc/34/69/25/178346925.db2.gz HWTWJXWEWOBHPS-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(O)cc2)N1 ZINC000000085490 342673741 /nfs/dbraw/zinc/67/37/41/342673741.db2.gz TWPYJYQNZHPNGQ-DTWKUNHWSA-N -1 0 225.269 1.180 50 0 biogenic BDAARM Cc1ccc2[nH]c(CCC(=O)[O-])nc2c1 ZINC000000513941 342689083 /nfs/dbraw/zinc/68/90/83/342689083.db2.gz YYJSUIBVPUFHLD-UHFFFAOYSA-N -1 0 204.229 1.889 50 0 BDAARM CN(C1=NC(=O)CS1)c1ccc(O)cc1 ZINC000000205870 342680119 /nfs/dbraw/zinc/68/01/19/342680119.db2.gz VLRZTUWWTUBKBF-UHFFFAOYSA-N -1 0 222.269 1.458 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccn1 ZINC000000214339 342680228 /nfs/dbraw/zinc/68/02/28/342680228.db2.gz BEYYWYBNNIFKOZ-ZJUUUORDSA-N -1 0 248.282 1.911 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccn1 ZINC000000214333 342680460 /nfs/dbraw/zinc/68/04/60/342680460.db2.gz BEYYWYBNNIFKOZ-UWVGGRQHSA-N -1 0 248.282 1.911 50 0 BDAARM COc1cc(C=O)ccc1O[C@H](C)C(=O)[O-] ZINC000000316476 342683015 /nfs/dbraw/zinc/68/30/15/342683015.db2.gz MLHKYEYVHIVNMU-SSDOTTSWSA-N -1 0 224.212 1.360 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1NCc1cccnc1 ZINC000000319713 342683364 /nfs/dbraw/zinc/68/33/64/342683364.db2.gz MHWWFBSFFVDUPF-UHFFFAOYSA-N -1 0 243.266 1.974 50 0 BDAARM CC(C)CNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000000380998 342685648 /nfs/dbraw/zinc/68/56/48/342685648.db2.gz MQZLINDXEIXGOM-RCWTZXSCSA-N -1 0 237.299 1.282 50 0 BDAARM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000000403289 342686695 /nfs/dbraw/zinc/68/66/95/342686695.db2.gz NXILIHONWRXHFA-QMMMGPOBSA-N -1 0 229.276 1.718 50 0 BDAARM CN(C)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000473981 342688265 /nfs/dbraw/zinc/68/82/65/342688265.db2.gz CBZXTQQWIHMSAT-UHFFFAOYSA-N -1 0 236.271 1.556 50 0 BDAARM Cc1ccsc1/C=C1/NC(=O)[N-]C1=O ZINC000000072165 342672687 /nfs/dbraw/zinc/67/26/87/342672687.db2.gz FCYZXUYVZFESPZ-GQCTYLIASA-N -1 0 208.242 1.237 50 0 BDAARM O=C([O-])c1cc(-c2ccc(O)cc2)on1 ZINC000000810970 342693083 /nfs/dbraw/zinc/69/30/83/342693083.db2.gz PSQJYQJRWKEMEC-UHFFFAOYSA-N -1 0 205.169 1.745 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000001433119 342700900 /nfs/dbraw/zinc/70/09/00/342700900.db2.gz RNJQBGXOSAQQDG-JGVFFNPUSA-N -1 0 229.276 1.764 50 0 in-vitro BDAARM O=C([O-])c1c[nH]c(=O)cc1C(F)(F)F ZINC000001494934 342701682 /nfs/dbraw/zinc/70/16/82/342701682.db2.gz WCUKVMMGYGOCGJ-UHFFFAOYSA-N -1 0 207.107 1.092 50 0 BDAARM O=C([O-])[C@@]1(O)CC(=O)CC[C@@H]1c1ccccc1 ZINC000001630451 342706562 /nfs/dbraw/zinc/70/65/62/342706562.db2.gz GJJJBQYNYSREEH-DGCLKSJQSA-N -1 0 234.251 1.339 50 0 BDAARM C[C@H](Cc1ccccc1)NC(=O)/C=C/C(=O)[O-] ZINC000001644652 342706719 /nfs/dbraw/zinc/70/67/19/342706719.db2.gz PBKAUTSUBNRJGW-QROSGCPLSA-N -1 0 233.267 1.375 50 0 BDAARM O=S(=O)([O-])c1cccc2ccc(O)cc21 ZINC000001700211 342709953 /nfs/dbraw/zinc/70/99/53/342709953.db2.gz HUYJTJXLNBOVFO-UHFFFAOYSA-N -1 0 224.237 1.792 50 0 BDAARM [NH3+][C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000004204160 342743877 /nfs/dbraw/zinc/74/38/77/342743877.db2.gz SRHNOGZIXICHOU-SSDOTTSWSA-N -1 0 219.162 1.790 50 0 biogenic BDAARM COc1cc(F)c(CC(=O)[O-])c(F)c1 ZINC000002527850 342722639 /nfs/dbraw/zinc/72/26/39/342722639.db2.gz KXWRAINJKJTUDG-UHFFFAOYSA-N -1 0 202.156 1.601 50 0 BDAARM CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000002527107 342722681 /nfs/dbraw/zinc/72/26/81/342722681.db2.gz QVOPNRRQHPWQMF-MRVPVSSYSA-N -1 0 245.275 1.097 50 0 BDAARM O=C([O-])[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000002577462 342725298 /nfs/dbraw/zinc/72/52/98/342725298.db2.gz JSASVUTVTRNJHA-NSHDSACASA-N -1 0 249.266 1.730 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccc2nccnc2c1 ZINC000002581762 342725473 /nfs/dbraw/zinc/72/54/73/342725473.db2.gz ASTVVEAVFHNUSH-ONEGZZNKSA-N -1 0 243.222 1.209 50 0 BDAARM O=C([O-])c1ccccc1NC(=O)C1CC1 ZINC000004649179 342749919 /nfs/dbraw/zinc/74/99/19/342749919.db2.gz LTDDGJHJBNMJRK-UHFFFAOYSA-N -1 0 205.213 1.733 50 0 BDAARM CC(C)[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000003884339 342738894 /nfs/dbraw/zinc/73/88/94/342738894.db2.gz JULAETYRRYJIAR-LLVKDONJSA-N -1 0 233.267 1.752 50 0 BDAARM O=C([O-])c1cncc(N2CCCCCC2)n1 ZINC000005670257 342768238 /nfs/dbraw/zinc/76/82/38/342768238.db2.gz WLAUDLMNJJQYJQ-UHFFFAOYSA-N -1 0 221.260 1.555 50 0 BDAARM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000008699040 342802278 /nfs/dbraw/zinc/80/22/78/342802278.db2.gz CQFSYUVJYISMEO-LLVKDONJSA-N -1 0 239.246 1.284 50 0 BDAARM O=C([O-])c1ncsc1Br ZINC000008698522 342802283 /nfs/dbraw/zinc/80/22/83/342802283.db2.gz AZYQIQWMHMYDPO-UHFFFAOYSA-N -1 0 208.036 1.604 50 0 BDAARM O=c1[n-]c(-c2cccc(Br)c2)n[nH]1 ZINC000006511586 342778876 /nfs/dbraw/zinc/77/88/76/342778876.db2.gz MOWCNQAKRIHBCM-UHFFFAOYSA-N -1 0 240.060 1.528 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000006613421 342780106 /nfs/dbraw/zinc/78/01/06/342780106.db2.gz HJDFYTDQOVVXPO-NSHDSACASA-N -1 0 239.315 1.890 50 0 BDAARM O=C([O-])c1cc(-c2ccccc2F)[nH]n1 ZINC000006849555 342784631 /nfs/dbraw/zinc/78/46/31/342784631.db2.gz DAFWBGVQDOZAQL-UHFFFAOYSA-N -1 0 206.176 1.914 50 0 BDAARM CSc1ncc(Br)c(=O)[n-]1 ZINC000006995909 342787414 /nfs/dbraw/zinc/78/74/14/342787414.db2.gz BKWWYXOEVKZFDA-UHFFFAOYSA-N -1 0 221.079 1.667 50 0 BDAARM COCc1nc2ccccc2n1CC(=O)[O-] ZINC000007467003 342791506 /nfs/dbraw/zinc/79/15/06/342791506.db2.gz NTTDZZIBJZGVJX-UHFFFAOYSA-N -1 0 220.228 1.267 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000009246003 342811311 /nfs/dbraw/zinc/81/13/11/342811311.db2.gz FSLHDGFWLYQYCX-SECBINFHSA-N -1 0 237.230 1.259 50 0 BDAARM Cc1ccc2nc(CSCC(=O)[O-])cn2c1 ZINC000008754332 342804376 /nfs/dbraw/zinc/80/43/76/342804376.db2.gz OEMCOZVHEFNSMU-UHFFFAOYSA-N -1 0 236.296 1.961 50 0 BDAARM O=C([O-])c1cccn(Cc2ccccc2F)c1=O ZINC000008769015 342804568 /nfs/dbraw/zinc/80/45/68/342804568.db2.gz BEQYMJZHRNDELX-UHFFFAOYSA-N -1 0 247.225 1.734 50 0 BDAARM C[C@@]1(C(=O)[O-])Cc2ccc(Cl)cc2C(=O)O1 ZINC000008768969 342804592 /nfs/dbraw/zinc/80/45/92/342804592.db2.gz WFXUUYPOUZBRTH-NSHDSACASA-N -1 0 240.642 1.896 50 0 BDAARM O=C([O-])c1ccc(CSc2nc[nH]n2)o1 ZINC000011851230 342843768 /nfs/dbraw/zinc/84/37/68/342843768.db2.gz GNWPFJRHXNYZJV-UHFFFAOYSA-N -1 0 225.229 1.388 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)N1c1ccccc1 ZINC000011894500 342844327 /nfs/dbraw/zinc/84/43/27/342844327.db2.gz JITXFZOGKNNXCT-VIFPVBQESA-N -1 0 205.213 1.267 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000011890845 342844362 /nfs/dbraw/zinc/84/43/62/342844362.db2.gz KIXWRXJXMVUWCP-SECBINFHSA-N -1 0 205.213 1.124 50 0 BDAARM O=C1[N-]C(=O)[C@@H](Nc2ccc(F)cc2)S1 ZINC000012289123 342848579 /nfs/dbraw/zinc/84/85/79/342848579.db2.gz NZIGENYFBAFERD-QMMMGPOBSA-N -1 0 226.232 1.547 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000012338536 342849229 /nfs/dbraw/zinc/84/92/29/342849229.db2.gz VSFAUFULKMAMRL-MXWKQRLJSA-N -1 0 231.251 1.900 50 0 BDAARM O=C([O-])c1csc(-c2cnccn2)n1 ZINC000012360654 342850047 /nfs/dbraw/zinc/85/00/47/342850047.db2.gz FVGINDDZLLHQKO-UHFFFAOYSA-N -1 0 207.214 1.298 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000011888129 342843929 /nfs/dbraw/zinc/84/39/29/342843929.db2.gz UGVGSLCAEZQSHE-UHFFFAOYSA-N -1 0 231.255 1.836 50 0 BDAARM O=C([O-])c1nnn(-c2ccc(F)cc2)c1C1CC1 ZINC000011888063 342844166 /nfs/dbraw/zinc/84/41/66/342844166.db2.gz OLTNYLZYMCYMCR-UHFFFAOYSA-N -1 0 247.229 1.982 50 0 BDAARM Nc1cc(Cl)nc(C(=O)[O-])c1Cl ZINC000012955882 342861845 /nfs/dbraw/zinc/86/18/45/342861845.db2.gz NIXXQNOQHKNPEJ-UHFFFAOYSA-N -1 0 207.016 1.669 50 0 in-vitro BDAARM O=C([O-])c1ccc(CCNC(=O)C2CC2)cc1 ZINC000013442508 342867003 /nfs/dbraw/zinc/86/70/03/342867003.db2.gz PUYAYHGERRTVNS-UHFFFAOYSA-N -1 0 233.267 1.454 50 0 BDAARM CN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000013718796 342870996 /nfs/dbraw/zinc/87/09/96/342870996.db2.gz AHVBATBBFVYBGJ-CMPLNLGQSA-N -1 0 233.267 1.681 50 0 biogenic BDAARM Cc1ccc2[nH]c(C(=O)[O-])cc(=O)c2c1 ZINC000013821213 342872398 /nfs/dbraw/zinc/87/23/98/342872398.db2.gz YZLHMOMDUOBOBJ-UHFFFAOYSA-N -1 0 203.197 1.535 50 0 BDAARM CCc1ccc(-c2cn[n-]c(=NN)n2)cc1 ZINC000019090326 342941419 /nfs/dbraw/zinc/94/14/19/342941419.db2.gz RTORDBDRTYVRHS-UHFFFAOYSA-N -1 0 215.260 1.387 50 0 BDAARM Cc1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1 ZINC000019506716 342950001 /nfs/dbraw/zinc/95/00/01/342950001.db2.gz IAVAVGYTZPNJLD-UHFFFAOYSA-N -1 0 229.257 1.065 50 0 BDAARM O=C([O-])[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000019408065 342947846 /nfs/dbraw/zinc/94/78/46/342947846.db2.gz NXVLLLCFRLCPOM-ZCFIWIBFSA-N -1 0 211.183 1.345 50 0 BDAARM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000020223419 342978167 /nfs/dbraw/zinc/97/81/67/342978167.db2.gz KZZZLACPRLEARL-SSDOTTSWSA-N -1 0 246.259 1.320 50 0 BDAARM O=C([O-])c1ncsc1-c1cccnc1 ZINC000020357798 342983572 /nfs/dbraw/zinc/98/35/72/342983572.db2.gz YOPSIDUMDHTXLJ-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000020439723 342985293 /nfs/dbraw/zinc/98/52/93/342985293.db2.gz ZQNQBILYGVUVMN-UHFFFAOYSA-N -1 0 232.195 1.504 50 0 BDAARM COCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263342719 536774892 /nfs/dbraw/zinc/77/48/92/536774892.db2.gz SJZSZDKUFUGUEX-QMMMGPOBSA-N -1 0 237.255 1.460 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)C1CCC1 ZINC000022150212 343042551 /nfs/dbraw/zinc/04/25/51/343042551.db2.gz GKNBMCJILWMJOO-VIFPVBQESA-N -1 0 211.261 1.252 50 0 BDAARM C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)[O-] ZINC000584879991 343080391 /nfs/dbraw/zinc/08/03/91/343080391.db2.gz CBMOPDGKSHYFHW-CIUDSAMLSA-N -1 0 223.276 1.739 50 0 BDAARM Cc1nc2ccc(O)cc2cc1C(=O)[O-] ZINC000257821582 343076905 /nfs/dbraw/zinc/07/69/05/343076905.db2.gz DMFRAHCBYVFZAH-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 BDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC000026896773 343110787 /nfs/dbraw/zinc/11/07/87/343110787.db2.gz OHDFGIXTRBDGRB-QMMMGPOBSA-N -1 0 229.276 1.764 50 0 BDAARM COc1c2ccc(C(=O)[O-])cc2nn1C ZINC000026423794 343104867 /nfs/dbraw/zinc/10/48/67/343104867.db2.gz GMKIZCNHXPWDGI-UHFFFAOYSA-N -1 0 206.201 1.280 50 0 BDAARM CC(C)N1C=C(C(=O)[O-])C(=O)C2=CCC=C[C@H]21 ZINC000001186847 343270248 /nfs/dbraw/zinc/27/02/48/343270248.db2.gz MLYWEMXZEYVBLB-GXSJLCMTSA-N -1 0 233.267 1.359 50 0 BDAARM CC(C)[C@@]12C[C@@H](C(=O)O1)[C@H](C(=O)[O-])CC2 ZINC000005024269 343273842 /nfs/dbraw/zinc/27/38/42/343273842.db2.gz IXNJPLJCFRKZMH-SOCHQFKDSA-N -1 0 212.245 1.439 50 0 biogenic BDAARM O=C([O-])[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000034957541 343281979 /nfs/dbraw/zinc/28/19/79/343281979.db2.gz KOQJSUJYOHBXCB-ZCFIWIBFSA-N -1 0 241.193 1.402 50 0 BDAARM O=C([O-])c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC000036765367 343323771 /nfs/dbraw/zinc/32/37/71/343323771.db2.gz ZXFAOYFCXMOWMR-UHFFFAOYSA-N -1 0 240.280 1.569 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccc(C)cc1F ZINC000036895379 343326558 /nfs/dbraw/zinc/32/65/58/343326558.db2.gz SDRPXFKCMJUTET-UHFFFAOYSA-N -1 0 249.245 1.975 50 0 BDAARM Nc1ccc(Br)c(C(=O)[O-])n1 ZINC000038537023 343376553 /nfs/dbraw/zinc/37/65/53/343376553.db2.gz JWSVCDGYFKKWAR-UHFFFAOYSA-N -1 0 217.022 1.125 50 0 BDAARM O=C([O-])c1scnc1Br ZINC000038540802 343376920 /nfs/dbraw/zinc/37/69/20/343376920.db2.gz GQCIIZJOGXFYNG-UHFFFAOYSA-N -1 0 208.036 1.604 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1cc(C)ccc1F ZINC000037312366 343343186 /nfs/dbraw/zinc/34/31/86/343343186.db2.gz GDQNUEQGZFFQHH-UHFFFAOYSA-N -1 0 249.245 1.975 50 0 BDAARM O=C([O-])c1cccc(Nc2cnccn2)c1 ZINC000037453599 343345364 /nfs/dbraw/zinc/34/53/64/343345364.db2.gz ZHUOYCJZFXGGGJ-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM O=C([O-])c1cc(Cl)cc2c1OCCN2 ZINC000039075833 343381614 /nfs/dbraw/zinc/38/16/14/343381614.db2.gz RDIXXNVIEWPZCD-UHFFFAOYSA-N -1 0 213.620 1.843 50 0 BDAARM Cc1c2ccccc2c(=O)oc1C(=O)[O-] ZINC000039218876 343387012 /nfs/dbraw/zinc/38/70/12/343387012.db2.gz PDPBEHRWSYREIE-UHFFFAOYSA-N -1 0 204.181 1.800 50 0 BDAARM O=C([O-])c1cc(-c2ccncc2)c[nH]c1=O ZINC000039320993 343389094 /nfs/dbraw/zinc/38/90/94/343389094.db2.gz WKDNSRJXCYJQBV-UHFFFAOYSA-N -1 0 216.196 1.135 50 0 BDAARM COC(=O)N=c1[n-]nc(SC(=O)OC)s1 ZINC000226794695 133479532 /nfs/dbraw/zinc/47/95/32/133479532.db2.gz SWBWWVKFKKBMCU-UHFFFAOYSA-N -1 0 249.273 1.575 50 0 BDAARM Cc1ccc([S@@](C)=O)c(CC(=O)[O-])c1 ZINC000044126131 343492557 /nfs/dbraw/zinc/49/25/57/343492557.db2.gz NFQVKEXYECATCM-AWEZNQCLSA-N -1 0 212.270 1.360 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccc(F)c(C)c1 ZINC000045891970 343535500 /nfs/dbraw/zinc/53/55/00/343535500.db2.gz NIXMPPOHSCUQIU-UHFFFAOYSA-N -1 0 249.245 1.975 50 0 BDAARM O=C([O-])c1ccnc(OCC2CCC2)c1 ZINC000047476129 343562418 /nfs/dbraw/zinc/56/24/18/343562418.db2.gz PNRNHXQTVFHWTC-UHFFFAOYSA-N -1 0 207.229 1.959 50 0 BDAARM O=C([O-])c1cnc(CCc2ccccc2)[nH]c1=O ZINC000049468539 343598777 /nfs/dbraw/zinc/59/87/77/343598777.db2.gz CWTDFWBSOKAKCX-UHFFFAOYSA-N -1 0 244.250 1.253 50 0 BDAARM O=C([O-])c1cnn(C[C@@H]2CCCCO2)c1 ZINC000068954948 537804017 /nfs/dbraw/zinc/80/40/17/537804017.db2.gz GULMLEBYAPGFCC-VIFPVBQESA-N -1 0 210.233 1.150 50 0 BDAARM O=C([O-])c1cn(Cc2ccc(F)c(F)c2)cn1 ZINC000236477824 343795514 /nfs/dbraw/zinc/79/55/14/343795514.db2.gz PESLBRGDNPTZHE-UHFFFAOYSA-N -1 0 238.193 1.908 50 0 BDAARM Cc1c(C(=O)[O-])c2ccccc2n(C)c1=O ZINC000238494063 537819214 /nfs/dbraw/zinc/81/92/14/537819214.db2.gz CHMGVNDZWOYOEJ-UHFFFAOYSA-N -1 0 217.224 1.545 50 0 BDAARM CC[C@@H](C)[C@H](NC(=O)NC1CCCC1)C(=O)[O-] ZINC000000544189 346996142 /nfs/dbraw/zinc/99/61/42/346996142.db2.gz KKOORKMAXSGAOU-SCZZXKLOSA-N -1 0 242.319 1.728 50 0 biogenic BDAARM CCCCNC(=O)Nc1ncc(C(=O)[O-])s1 ZINC000720019454 537832862 /nfs/dbraw/zinc/83/28/62/537832862.db2.gz YEPBMIHYSYGLFA-UHFFFAOYSA-N -1 0 243.288 1.763 50 0 BDAARM CO[P@@](=O)(CC(=O)[O-])c1ccccc1 ZINC000000200803 344636751 /nfs/dbraw/zinc/63/67/51/344636751.db2.gz WOMCCRPWMVUWIN-AWEZNQCLSA-N -1 0 214.157 1.321 50 0 BDAARM C[C@H](C(=O)[O-])C1CCC2(CC1)OCCO2 ZINC000235076748 344764883 /nfs/dbraw/zinc/76/48/83/344764883.db2.gz VWMSZNLQLZLFGM-QMMMGPOBSA-N -1 0 214.261 1.640 50 0 BDAARM COc1ncc(-c2cnc(C(=O)[O-])nc2)cc1C ZINC000675070027 537866073 /nfs/dbraw/zinc/86/60/73/537866073.db2.gz ONPYEGMKQPPBOJ-UHFFFAOYSA-N -1 0 245.238 1.554 50 0 BDAARM O=C([O-])Cc1ccc(F)c(C(F)(F)F)n1 ZINC000238691468 345113521 /nfs/dbraw/zinc/11/35/21/345113521.db2.gz PALCKFSBAHBWBW-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM COc1c(C)cc([S@](=O)[O-])cc1C ZINC000306304503 537913760 /nfs/dbraw/zinc/91/37/60/537913760.db2.gz HKGLJLJQSNRXKA-UHFFFAOYSA-N -1 0 200.259 1.893 50 0 BDAARM Cc1ccc2c(c1C)NC(=O)[C@H]2CC(=O)[O-] ZINC000019088392 178962634 /nfs/dbraw/zinc/96/26/34/178962634.db2.gz MYHSYPBQJXLHGH-VIFPVBQESA-N -1 0 219.240 1.814 50 0 BDAARM Cc1cccc(/C=C2/NC(=O)[N-]C2=O)c1 ZINC000000073208 179002803 /nfs/dbraw/zinc/00/28/03/179002803.db2.gz XWKLMEXYFOBTGK-RMKNXTFCSA-N -1 0 202.213 1.175 50 0 BDAARM O=C([O-])c1cccc(-c2c[nH]c(=O)cn2)c1 ZINC000669378932 537972656 /nfs/dbraw/zinc/97/26/56/537972656.db2.gz OYDKTACXJBYCHW-UHFFFAOYSA-N -1 0 216.196 1.135 50 0 BDAARM Cc1cccc(CN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000009235651 179081077 /nfs/dbraw/zinc/08/10/77/179081077.db2.gz POPMIPHYUYEILT-NSHDSACASA-N -1 0 233.267 1.428 50 0 BDAARM Cc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1C ZINC000000035034 179124216 /nfs/dbraw/zinc/12/42/16/179124216.db2.gz OPPJYODZNFUYTP-JTQLQIEISA-N -1 0 233.267 1.741 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCCCC1 ZINC000004700422 346607217 /nfs/dbraw/zinc/60/72/17/346607217.db2.gz UVLUTFPNPMQNQB-SECBINFHSA-N -1 0 213.277 1.500 50 0 BDAARM Cc1ccc(Nc2nc(=O)cn[n-]2)cc1Cl ZINC000008738156 346686422 /nfs/dbraw/zinc/68/64/22/346686422.db2.gz CXWTZEWFMLBMTR-UHFFFAOYSA-N -1 0 236.662 1.870 50 0 BDAARM Cc1ccccc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000317521 179295781 /nfs/dbraw/zinc/29/57/81/179295781.db2.gz GWCVJEVNUIDHPH-VIFPVBQESA-N -1 0 219.240 1.433 50 0 BDAARM Cc1nc(SC(C)(C)C(=O)[O-])[nH]c(=O)c1C ZINC000014628895 180029045 /nfs/dbraw/zinc/02/90/45/180029045.db2.gz SNXOBCGUUZXXAU-UHFFFAOYSA-N -1 0 242.300 1.342 50 0 BDAARM CCCCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000011638475 168611828 /nfs/dbraw/zinc/61/18/28/168611828.db2.gz LDNAMUPJSSBDIJ-SECBINFHSA-N -1 0 213.277 1.642 50 0 BDAARM CC(C)(C)C(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256429 538056922 /nfs/dbraw/zinc/05/69/22/538056922.db2.gz LRIVLOGHVCXMDV-UHFFFAOYSA-N -1 0 212.205 1.357 50 0 BDAARM Cc1nc2ccn(C3CC3)c(=O)c2cc1C(=O)[O-] ZINC000085389224 180107583 /nfs/dbraw/zinc/10/75/83/180107583.db2.gz UFMXJWFSGALQGA-UHFFFAOYSA-N -1 0 244.250 1.738 50 0 BDAARM Cc1nc2ccccc2c(C(=O)[O-])c1O ZINC000000119714 180100954 /nfs/dbraw/zinc/10/09/54/180100954.db2.gz RVGATDHHYVSTQG-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 biogenic,in-vitro BDAARM CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000032099966 350178609 /nfs/dbraw/zinc/17/86/09/350178609.db2.gz CSLBOMVIWNCPJJ-UHFFFAOYSA-N -1 0 241.674 1.773 50 0 BDAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)[O-] ZINC000033369341 180349747 /nfs/dbraw/zinc/34/97/47/180349747.db2.gz ODPSFNRSRKYGOG-ARJAWSKDSA-N -1 0 200.625 1.480 50 0 BDAARM Cc1nn(C)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000004294510 180363386 /nfs/dbraw/zinc/36/33/86/180363386.db2.gz GMQFFGPSZPLCJJ-UHFFFAOYSA-N -1 0 231.255 1.852 50 0 BDAARM Cc1noc(COc2cccc(C(=O)[O-])c2)n1 ZINC000020253499 180490461 /nfs/dbraw/zinc/49/04/61/180490461.db2.gz APLUCKKOWGIGJR-UHFFFAOYSA-N -1 0 234.211 1.655 50 0 BDAARM CC(C)=CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000236721710 350741826 /nfs/dbraw/zinc/74/18/26/350741826.db2.gz BCFPQTDOGZEAQM-UHFFFAOYSA-N -1 0 241.287 1.045 50 0 BDAARM CC(C)CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005907877 191122674 /nfs/dbraw/zinc/12/26/74/191122674.db2.gz TWKDXCVAKKUTGH-UWVGGRQHSA-N -1 0 225.288 1.426 50 0 BDAARM CCCCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002084143 351947209 /nfs/dbraw/zinc/94/72/09/351947209.db2.gz MTOZLYBOVULJLR-WDEREUQCSA-N -1 0 239.315 1.960 50 0 BDAARM [NH3+][C@@H](CCCCCCCC(=O)[O-])C(=O)[O-] ZINC000002108713 363162887 /nfs/dbraw/zinc/16/28/87/363162887.db2.gz OZELAETXNOXZOK-QMMMGPOBSA-N -1 0 217.265 1.214 50 0 biogenic BDAARM CN(c1ccccc1)[C@@H]1SC(=O)[N-]C1=O ZINC000001317783 363145129 /nfs/dbraw/zinc/14/51/29/363145129.db2.gz HNFHTARURWZKBV-SECBINFHSA-N -1 0 222.269 1.432 50 0 BDAARM CC(C)(Oc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000002557830 187756243 /nfs/dbraw/zinc/75/62/43/187756243.db2.gz QYSLXFLTIMZBGK-UHFFFAOYSA-N -1 0 224.212 1.657 50 0 BDAARM Cc1ccnc(Br)c1C(=O)[O-] ZINC000066323320 187786014 /nfs/dbraw/zinc/78/60/14/187786014.db2.gz XRYGHOZBHDBJEJ-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM Cc1nscc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000190514990 353378972 /nfs/dbraw/zinc/37/89/72/353378972.db2.gz RDPMAFDHOIGKQC-MRVPVSSYSA-N -1 0 242.300 1.291 50 0 BDAARM C=C(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002516280 188456162 /nfs/dbraw/zinc/45/61/62/188456162.db2.gz QCHJVTWVRPQBBU-UHFFFAOYSA-N -1 0 221.212 1.511 50 0 BDAARM Cc1nn(C)c(C(=O)[O-])c1Br ZINC000000161950 188453453 /nfs/dbraw/zinc/45/34/53/188453453.db2.gz ZUEAEVZRYGUFPS-UHFFFAOYSA-N -1 0 219.038 1.189 50 0 BDAARM Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)o1 ZINC000062913020 188582361 /nfs/dbraw/zinc/58/23/61/188582361.db2.gz FCWAVDTVTAWOLS-LBPRGKRZSA-N -1 0 237.255 1.525 50 0 BDAARM CC(C)(C)/C=C/C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136120048 188583444 /nfs/dbraw/zinc/58/34/44/188583444.db2.gz WIKFQZPYXSMJLF-FGEFZZPRSA-N -1 0 239.315 1.912 50 0 BDAARM Nc1ccc(CC(=O)[O-])cc1Br ZINC000040571536 358494838 /nfs/dbraw/zinc/49/48/38/358494838.db2.gz LGUKTYAEODCQMW-UHFFFAOYSA-N -1 0 230.061 1.658 50 0 BDAARM CCCN1C(=O)S/C(=C/C(=O)[O-])C1=O ZINC000005850750 355611833 /nfs/dbraw/zinc/61/18/33/355611833.db2.gz AVKQRVWJCAALFZ-SNAWJCMRSA-N -1 0 215.230 1.060 50 0 BDAARM N=C1O[C@H](c2ccc3c(c2)OCO3)C([O-])=C1O ZINC000104239678 181207397 /nfs/dbraw/zinc/20/73/97/181207397.db2.gz JNMLMMFHVPVRPD-SNVBAGLBSA-N -1 0 235.195 1.791 50 0 BDAARM Cc1ccc(N2CC(=O)N=C2[O-])cc1C ZINC000001459901 355769954 /nfs/dbraw/zinc/76/99/54/355769954.db2.gz ORPHFPUXLQDFSG-UHFFFAOYSA-N -1 0 204.229 1.360 50 0 BDAARM NC(=O)C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000005240090 181240098 /nfs/dbraw/zinc/24/00/98/181240098.db2.gz NLCJVRPOYTZTMS-QMMMGPOBSA-N -1 0 241.674 1.774 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccccc1 ZINC000019425703 356483317 /nfs/dbraw/zinc/48/33/17/356483317.db2.gz WSBOYOYQOJYXMU-BCPZQOPPSA-N -1 0 245.278 1.775 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000019506063 356484474 /nfs/dbraw/zinc/48/44/74/356484474.db2.gz MUWBJXZEXGIYJD-GHMZBOCLSA-N -1 0 237.299 1.808 50 0 BDAARM Cc1nn(C(C)C)c(C)c1[S@](=O)[O-] ZINC000675059609 538484521 /nfs/dbraw/zinc/48/45/21/538484521.db2.gz KGLJFKBMOFPPRO-UHFFFAOYSA-N -1 0 202.279 1.661 50 0 BDAARM Cc1ccc(NC(=O)N[C@H](C)C(=O)[O-])cc1C ZINC000015970103 356661444 /nfs/dbraw/zinc/66/14/44/356661444.db2.gz VCIBIBCVUINVMU-SECBINFHSA-N -1 0 236.271 1.898 50 0 BDAARM CCOC(=O)c1ccc(C[S@](=O)[O-])cc1 ZINC000675062246 538488567 /nfs/dbraw/zinc/48/85/67/538488567.db2.gz NERXIXPWFUXBHK-UHFFFAOYSA-N -1 0 228.269 1.585 50 0 BDAARM O=Cc1cncc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675070371 538500895 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/nfs/dbraw/zinc/15/12/16/384151216.db2.gz KKIOYWDQZJOMOJ-UHFFFAOYSA-N -1 0 220.150 1.597 50 0 BDAARM O=C([O-])COc1ccc(O)cc1Cl ZINC000071250382 384154073 /nfs/dbraw/zinc/15/40/73/384154073.db2.gz LWBMOCFWIWGZNW-UHFFFAOYSA-N -1 0 202.593 1.509 50 0 BDAARM O=C([O-])c1c[nH]c(=O)nc1-c1ccccc1 ZINC000071261621 384156224 /nfs/dbraw/zinc/15/62/24/384156224.db2.gz DVKYFFKQDVBPNW-UHFFFAOYSA-N -1 0 216.196 1.135 50 0 BDAARM O=C([O-])c1ccc(Br)cc1CO ZINC000071621060 384173956 /nfs/dbraw/zinc/17/39/56/384173956.db2.gz YNXAGQITFDILGX-UHFFFAOYSA-N -1 0 231.045 1.640 50 0 BDAARM O=C([O-])c1cnc(Cl)nc1C(F)F ZINC000072187992 384198263 /nfs/dbraw/zinc/19/82/63/384198263.db2.gz XWKAETLDPYYHPJ-UHFFFAOYSA-N -1 0 208.551 1.766 50 0 BDAARM Cc1n[n-]c(NCc2ccccc2)nc1=O ZINC000008769505 384217352 /nfs/dbraw/zinc/21/73/52/384217352.db2.gz WNQCIXTVCHTXGV-UHFFFAOYSA-N -1 0 216.244 1.085 50 0 BDAARM COC(=O)c1cccc(Nc2nncc(=O)[n-]2)c1 ZINC000008997222 384229255 /nfs/dbraw/zinc/22/92/55/384229255.db2.gz NDQBBVJXCXAPBX-UHFFFAOYSA-N -1 0 246.226 1.107 50 0 BDAARM Cc1nc(=N[C@@H](C)c2ncccc2F)s[n-]1 ZINC000408522966 384288080 /nfs/dbraw/zinc/28/80/80/384288080.db2.gz FQFZPVFDUVKZFN-LURJTMIESA-N -1 0 238.291 1.976 50 0 BDAARM Cc1nc(=NCc2cnc(Cl)cn2)s[n-]1 ZINC000408524749 384291229 /nfs/dbraw/zinc/29/12/29/384291229.db2.gz YRXBSKVROMZIEE-UHFFFAOYSA-N -1 0 241.707 1.324 50 0 BDAARM O=C([O-])CN(CC1CC1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000097035480 384294126 /nfs/dbraw/zinc/29/41/26/384294126.db2.gz FMQVZMOEIVOXCK-GHMZBOCLSA-N -1 0 237.299 1.356 50 0 BDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccccc2)C1 ZINC000011729648 384294252 /nfs/dbraw/zinc/29/42/52/384294252.db2.gz SHOJQYUZKRWKDJ-JTQLQIEISA-N -1 0 242.238 1.262 50 0 BDAARM Nc1nccc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000012956716 384343755 /nfs/dbraw/zinc/34/37/55/384343755.db2.gz STTNRXJTCMXMSX-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM O=C([O-])Cc1cc(Cl)cc2c1OCOC2 ZINC000013013714 384346823 /nfs/dbraw/zinc/34/68/23/384346823.db2.gz YLVHQGQCPIKTTM-UHFFFAOYSA-N -1 0 228.631 1.834 50 0 BDAARM O=C([O-])[C@H]1COc2cc(Cl)ccc2O1 ZINC000075624562 384332641 /nfs/dbraw/zinc/33/26/41/384332641.db2.gz MNHNWDHFZWYPIJ-MRVPVSSYSA-N -1 0 214.604 1.564 50 0 BDAARM CC(C)(C)OC(=O)N1CC(F)(CC(=O)[O-])C1 ZINC000095743069 384392069 /nfs/dbraw/zinc/39/20/69/384392069.db2.gz TZFKVZIUVDYNHJ-UHFFFAOYSA-N -1 0 233.239 1.420 50 0 BDAARM O=C([O-])c1cc2cccc(Br)n2n1 ZINC000095742899 384392359 /nfs/dbraw/zinc/39/23/59/384392359.db2.gz QZLGYHSVPBZFIP-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM Cc1nc(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000014988054 384414351 /nfs/dbraw/zinc/41/43/51/384414351.db2.gz XWXJHADOMOYFPR-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM Cc1ccc(C)c2c1NC(=O)[C@@H]2CC(=O)[O-] ZINC000095496180 384379752 /nfs/dbraw/zinc/37/97/52/384379752.db2.gz SOSVVLLFFNVGFR-MRVPVSSYSA-N -1 0 219.240 1.814 50 0 BDAARM COC(=O)c1cc(F)c([O-])c(F)c1F ZINC000047202402 384444627 /nfs/dbraw/zinc/44/46/27/384444627.db2.gz ABVCVRWXIBXQHL-UHFFFAOYSA-N -1 0 206.119 1.596 50 0 BDAARM CC(C)Cn1cc([C@H]2C[C@H]2C(=O)[O-])cn1 ZINC000096509123 384461642 /nfs/dbraw/zinc/46/16/42/384461642.db2.gz IOIRLXQTYQZJQA-NXEZZACHSA-N -1 0 208.261 1.727 50 0 BDAARM C[C@@H](CN(C(=O)C1CC=CC1)C1CC1)C(=O)[O-] ZINC000097231906 384462930 /nfs/dbraw/zinc/46/29/30/384462930.db2.gz GFTCMZGLPZPLEF-VIFPVBQESA-N -1 0 237.299 1.664 50 0 BDAARM CCO[C@H](C)C(=O)Nc1ccc(O)cc1F ZINC000097238732 384466572 /nfs/dbraw/zinc/46/65/72/384466572.db2.gz POCJVNZDXWLKCD-SSDOTTSWSA-N -1 0 227.235 1.895 50 0 BDAARM O=C([O-])c1ccc(F)c(Br)n1 ZINC000079066636 384481939 /nfs/dbraw/zinc/48/19/39/384481939.db2.gz UVDJYBXHNFJTME-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM CC(C)C[C@@H](NC(=O)[C@@H]1CC=CCC1)C(=O)[O-] ZINC000019470823 384524659 /nfs/dbraw/zinc/52/46/59/384524659.db2.gz PHSFTHSCDNPRHB-GHMZBOCLSA-N -1 0 239.315 1.958 50 0 BDAARM O=C([O-])c1ncnc2[nH]cc(Br)c21 ZINC000097758467 384553418 /nfs/dbraw/zinc/55/34/18/384553418.db2.gz BUQMKBUEOFOPST-UHFFFAOYSA-N -1 0 242.032 1.419 50 0 BDAARM O=C([O-])c1cccc(OC(F)(F)F)n1 ZINC000098213922 384606605 /nfs/dbraw/zinc/60/66/05/384606605.db2.gz ZGUDFAFRAROJDA-UHFFFAOYSA-N -1 0 207.107 1.678 50 0 BDAARM O=C([O-])c1cn(Cc2ccc(F)cc2F)nn1 ZINC000050886534 384607603 /nfs/dbraw/zinc/60/76/03/384607603.db2.gz IJJHBOIWBJWGHW-UHFFFAOYSA-N -1 0 239.181 1.303 50 0 BDAARM O=C([O-])c1cn(Cc2cccc(Cl)c2)nn1 ZINC000050213494 384609305 /nfs/dbraw/zinc/60/93/05/384609305.db2.gz CIZGJOYZCPZSQX-UHFFFAOYSA-N -1 0 237.646 1.678 50 0 BDAARM O=C(C=C([O-])c1cccnc1)c1cccnc1 ZINC000100083979 384616787 /nfs/dbraw/zinc/61/67/87/384616787.db2.gz KFODMJZTQLZQBN-UHFFFAOYSA-N -1 0 226.235 1.932 50 0 BDAARM COc1cccc2c1[nH]c(=O)c(C(=O)[O-])c2OC ZINC000008952250 384626161 /nfs/dbraw/zinc/62/61/61/384626161.db2.gz FNXGDPWXITYSJO-UHFFFAOYSA-N -1 0 249.222 1.656 50 0 biogenic BDAARM CC(=O)c1cc(C(=O)[O-])c2ccccn12 ZINC000082381321 384674278 /nfs/dbraw/zinc/67/42/78/384674278.db2.gz OCNARWZVXHBIDY-UHFFFAOYSA-N -1 0 203.197 1.840 50 0 BDAARM C[C@@H]1Cc2cccc3c2n1c(=O)cc3[O-] ZINC000100905205 384658474 /nfs/dbraw/zinc/65/84/74/384658474.db2.gz BGJKGJXHKFCALG-SSDOTTSWSA-N -1 0 201.225 1.824 50 0 BDAARM O=C([O-])CSCC(=O)N1CCCCCC1 ZINC000016971359 384773323 /nfs/dbraw/zinc/77/33/23/384773323.db2.gz CIRINEPDWCIQGR-UHFFFAOYSA-N -1 0 231.317 1.207 50 0 BDAARM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCOC1 ZINC000053200335 384773424 /nfs/dbraw/zinc/77/34/24/384773424.db2.gz BOZLRNFODRNKHI-SNVBAGLBSA-N -1 0 249.266 1.289 50 0 BDAARM O=C([O-])[C@@H]1C(=O)NC[C@H]1C1CCCCC1 ZINC000082953229 384729984 /nfs/dbraw/zinc/72/99/84/384729984.db2.gz IYNGVJHNUWGREC-IUCAKERBSA-N -1 0 211.261 1.014 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)C[C@@H]1CCCCO1 ZINC000082247368 384739133 /nfs/dbraw/zinc/73/91/33/384739133.db2.gz LKRLYDLASOYCCB-JTQLQIEISA-N -1 0 243.303 1.269 50 0 BDAARM CS(=O)(=O)CC[C@H](C(=O)[O-])c1ccccc1 ZINC000083827091 384801872 /nfs/dbraw/zinc/80/18/72/384801872.db2.gz RHLXNSFBBLTCTN-JTQLQIEISA-N -1 0 242.296 1.290 50 0 BDAARM O=C([O-])Cn1ccc(=O)c2ccccc21 ZINC000026507922 384875738 /nfs/dbraw/zinc/87/57/38/384875738.db2.gz IVUSDAZOMBVFMI-UHFFFAOYSA-N -1 0 203.197 1.086 50 0 biogenic BDAARM C[C@@H]1Nc2c(cccc2C(=O)[O-])NC1=O ZINC000164067488 384899362 /nfs/dbraw/zinc/89/93/62/384899362.db2.gz GRLBGBWIVIUUOM-YFKPBYRVSA-N -1 0 206.201 1.137 50 0 BDAARM Cc1ccc(C)c([C@@H]2OC(=O)[N-]C2=O)c1 ZINC000039392975 384916108 /nfs/dbraw/zinc/91/61/08/384916108.db2.gz UJBTWDXPWHSHCC-VIFPVBQESA-N -1 0 205.213 1.611 50 0 BDAARM CCN(CC)c1ccc(C(=O)[O-])c(O)c1 ZINC000057214505 384930847 /nfs/dbraw/zinc/93/08/47/384930847.db2.gz IZYRYLLQDKRMKK-UHFFFAOYSA-N -1 0 209.245 1.937 50 0 BDAARM CSc1nc(=O)c(-c2ccccc2)n[n-]1 ZINC000085902810 384971879 /nfs/dbraw/zinc/97/18/79/384971879.db2.gz XHHHXWUBPUAMPZ-UHFFFAOYSA-N -1 0 219.269 1.554 50 0 BDAARM O=C([O-])Cc1ccn(-c2ccccc2)n1 ZINC000061641179 385128439 /nfs/dbraw/zinc/12/84/39/385128439.db2.gz BCRUWDVVJMOSED-UHFFFAOYSA-N -1 0 202.213 1.499 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1C=CC[C@H]1C(=O)[O-] ZINC000032099103 385130609 /nfs/dbraw/zinc/13/06/09/385130609.db2.gz OLAXDULTGCDONC-SFYZADRCSA-N -1 0 227.260 1.540 50 0 BDAARM CC(=O)Cn1nc(-c2ccco2)cc1C(=O)[O-] ZINC000032918602 385190706 /nfs/dbraw/zinc/19/07/06/385190706.db2.gz LELOXEZQLPBPMG-UHFFFAOYSA-N -1 0 234.211 1.430 50 0 BDAARM O=C([O-])[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000096516847 385252697 /nfs/dbraw/zinc/25/26/97/385252697.db2.gz VYEFIGNHQKUSDI-JTQLQIEISA-N -1 0 247.298 1.655 50 0 BDAARM Cn1ncc(C(=O)[O-])c1Cc1ccccc1 ZINC000034204232 385273438 /nfs/dbraw/zinc/27/34/38/385273438.db2.gz XMXARGHDAOOJOB-UHFFFAOYSA-N -1 0 216.240 1.709 50 0 BDAARM CC(=O)c1ccc2oc(C(=O)[O-])cc(=O)c2c1 ZINC000000209196 385280097 /nfs/dbraw/zinc/28/00/97/385280097.db2.gz KHVUXFKPIAVJDD-UHFFFAOYSA-N -1 0 232.191 1.694 50 0 BDAARM O=c1[nH]c2snnc2c([O-])c1-c1ccccc1 ZINC000109861878 385289196 /nfs/dbraw/zinc/28/91/96/385289196.db2.gz KPILJRDZLPHUPV-SSDOTTSWSA-N -1 0 245.263 1.457 50 0 BDAARM O=C([O-])CC[C@@]12CCCC[C@]1(O)OC(=O)CC2 ZINC000000518859 385397749 /nfs/dbraw/zinc/39/77/49/385397749.db2.gz IIYRECQWHLPTMB-NEPJUHHUSA-N -1 0 242.271 1.437 50 0 biogenic BDAARM O=C([O-])CCCCC[C@H]1NC(=O)CS1 ZINC000001646622 385645313 /nfs/dbraw/zinc/64/53/13/385645313.db2.gz CSOJYIADHHNGRM-QMMMGPOBSA-N -1 0 217.290 1.211 50 0 in-vitro BDAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)c1cnc[nH]1 ZINC000218616785 385904922 /nfs/dbraw/zinc/90/49/22/385904922.db2.gz QGMQHKHKBHWLSK-MRVPVSSYSA-N -1 0 239.275 1.029 50 0 BDAARM CC(C)[C@@H](CO)NC(=O)c1ccc(F)cc1[O-] ZINC000182605111 385877711 /nfs/dbraw/zinc/87/77/11/385877711.db2.gz BMHQZCZYWPECJR-SNVBAGLBSA-N -1 0 241.262 1.278 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C2CC2)C1 ZINC000221733403 386018616 /nfs/dbraw/zinc/01/86/16/386018616.db2.gz LGDYPCFQWWENAY-LMLFDSFASA-N -1 0 237.299 1.402 50 0 BDAARM O=C([O-])c1c(F)cncc1OC(F)F ZINC000263623167 386156824 /nfs/dbraw/zinc/15/68/24/386156824.db2.gz FHSQYEZFVAKQEK-UHFFFAOYSA-N -1 0 207.107 1.520 50 0 BDAARM CC(C)(C)OC(=O)N1CCC(=O)[C@@]1(C)C(=O)[O-] ZINC000263624183 386157730 /nfs/dbraw/zinc/15/77/30/386157730.db2.gz OCUHXQRCNPAURP-NSHDSACASA-N -1 0 243.259 1.040 50 0 BDAARM O=C([O-])CNC(=O)c1coc(-c2ccccc2)n1 ZINC000237933869 386424118 /nfs/dbraw/zinc/42/41/18/386424118.db2.gz WIEOTBLDNNKERH-UHFFFAOYSA-N -1 0 246.222 1.156 50 0 BDAARM Cn1nccc1[C@@H](NCc1ccccc1)C(=O)[O-] ZINC000328579473 386527684 /nfs/dbraw/zinc/52/76/84/386527684.db2.gz KGVAHQVYPZAYGJ-GFCCVEGCSA-N -1 0 245.282 1.336 50 0 BDAARM O=C([O-])c1cccc(O)c1OC(F)(F)F ZINC000096171646 386590686 /nfs/dbraw/zinc/59/06/86/386590686.db2.gz LMKDQGZIQJKBAB-UHFFFAOYSA-N -1 0 222.118 1.989 50 0 BDAARM Cc1cc2nc(-c3ccccc3)cc(=O)n2[n-]1 ZINC000017820057 386602015 /nfs/dbraw/zinc/60/20/15/386602015.db2.gz FZLIHGWFGWQVFH-UHFFFAOYSA-N -1 0 225.251 1.998 50 0 BDAARM CCN(CC(=O)[O-])C(=O)c1ccc(F)c(C)c1 ZINC000063055500 386659670 /nfs/dbraw/zinc/65/96/70/386659670.db2.gz LDFWXCKNBWXTID-UHFFFAOYSA-N -1 0 239.246 1.681 50 0 BDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cscn2)C1 ZINC000062914152 386657852 /nfs/dbraw/zinc/65/78/52/386657852.db2.gz NHZZMQUFXKOGQW-SNVBAGLBSA-N -1 0 240.284 1.080 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)C1Cc2ccccc2C1 ZINC000235447779 386734200 /nfs/dbraw/zinc/73/42/00/386734200.db2.gz APPHJYDSICAHMF-SECBINFHSA-N -1 0 247.294 1.381 50 0 BDAARM CC[C@H](NC(=O)c1csnc1C)C(=O)[O-] ZINC000190904171 386754306 /nfs/dbraw/zinc/75/43/06/386754306.db2.gz NKYRUECCURIPME-ZETCQYMHSA-N -1 0 228.273 1.045 50 0 BDAARM Cn1c(C(=O)[O-])ccc1-c1ccccn1 ZINC000074210974 386846919 /nfs/dbraw/zinc/84/69/19/386846919.db2.gz BDNSCQFBQFGZOI-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM Cc1ccc(C)c(C2=NO[C@H](C(=O)[O-])C2)c1 ZINC000049669984 386993958 /nfs/dbraw/zinc/99/39/58/386993958.db2.gz XCEGVXYQUJAHLU-NSHDSACASA-N -1 0 219.240 1.881 50 0 BDAARM CC1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC000000204075 168170480 /nfs/dbraw/zinc/17/04/80/168170480.db2.gz QXFCXAYSDLBXPG-UHFFFAOYSA-N -1 0 213.277 1.500 50 0 BDAARM O=C([O-])Cn1c([C@@H]2CCOC2)nc2cccnc21 ZINC000066346517 387265807 /nfs/dbraw/zinc/26/58/07/387265807.db2.gz YZRJRPSMVIVWFW-MRVPVSSYSA-N -1 0 247.254 1.020 50 0 BDAARM CN1C(=O)C=C([O-])C(=C(N)c2ccccc2)C1=O ZINC000101018679 387298550 /nfs/dbraw/zinc/29/85/50/387298550.db2.gz CZLOFYRMRUAJFB-UHFFFAOYSA-N -1 0 244.250 1.255 50 0 BDAARM O=C(c1c([O-])cccc1F)N1CCOCC1 ZINC000163498970 387361113 /nfs/dbraw/zinc/36/11/13/387361113.db2.gz XHYRXLLLAJJQFY-UHFFFAOYSA-N -1 0 225.219 1.004 50 0 BDAARM COc1cc(C(=O)[N-]c2cc(C)on2)on1 ZINC000090609989 387456135 /nfs/dbraw/zinc/45/61/35/387456135.db2.gz CAFADRJPKYVZOH-UHFFFAOYSA-N -1 0 223.188 1.232 50 0 BDAARM CSCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC000001793556 387794847 /nfs/dbraw/zinc/79/48/47/387794847.db2.gz OZALSLNPMJFRGI-RKDXNWHRSA-N -1 0 245.344 1.594 50 0 BDAARM O=C([O-])[C@H]1CCN1C(=O)/C=C\c1ccccc1 ZINC000222045886 387801056 /nfs/dbraw/zinc/80/10/56/387801056.db2.gz VTJKXALCBPBEEM-JMEBYUIHSA-N -1 0 231.251 1.385 50 0 BDAARM Cc1cc(C)cc(C(=O)NCCC(=O)[O-])c1 ZINC000020285304 177893216 /nfs/dbraw/zinc/89/32/16/177893216.db2.gz KIXMIPJRIDHAJF-UHFFFAOYSA-N -1 0 221.256 1.508 50 0 BDAARM Cc1nc(=N[C@@H](C)c2c(C)n[nH]c2C)s[n-]1 ZINC000521395287 387915007 /nfs/dbraw/zinc/91/50/07/387915007.db2.gz VFUHYGIAPWPKNE-YFKPBYRVSA-N -1 0 237.332 1.781 50 0 BDAARM Cc1n[n-]c(NCCc2ccc(F)cc2)nc1=O ZINC000041603554 388072450 /nfs/dbraw/zinc/07/24/50/388072450.db2.gz MNEHHIGEEOSRFP-UHFFFAOYSA-N -1 0 248.261 1.267 50 0 BDAARM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094535 256517894 /nfs/dbraw/zinc/51/78/94/256517894.db2.gz NJHLXYNGPQOJLU-XVKPBYJWSA-N -1 0 219.240 1.979 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250838288 388191935 /nfs/dbraw/zinc/19/19/35/388191935.db2.gz LHTRFIWQVCUUFU-YTWAJWBKSA-N -1 0 237.299 1.498 50 0 BDAARM Cc1cc(C(=O)C(=O)[O-])c(C)n1-c1cnccn1 ZINC000004109959 388391148 /nfs/dbraw/zinc/39/11/48/388391148.db2.gz WKTSVTZBZUBCMU-UHFFFAOYSA-N -1 0 245.238 1.151 50 0 BDAARM CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000008156619 388402244 /nfs/dbraw/zinc/40/22/44/388402244.db2.gz HVZBWPDTXDTEAK-SECBINFHSA-N -1 0 212.176 1.515 50 0 BDAARM O=C([O-])CNC(=O)c1ccc2sccc2c1 ZINC000195542593 388479264 /nfs/dbraw/zinc/47/92/64/388479264.db2.gz BSYZMGYKBZJDMF-UHFFFAOYSA-N -1 0 235.264 1.716 50 0 BDAARM CCc1cc(C)c(C(=O)N[C@H](C)C(=O)[O-])o1 ZINC000195542686 388479267 /nfs/dbraw/zinc/47/92/67/388479267.db2.gz UGZPRROANXUJRJ-SSDOTTSWSA-N -1 0 225.244 1.353 50 0 BDAARM O=C([O-])/C(=C/c1ccco1)NC(=O)c1ccco1 ZINC000002388646 388677491 /nfs/dbraw/zinc/67/74/91/388677491.db2.gz GJTMOBINDWOQAV-CLFYSBASSA-N -1 0 247.206 1.728 50 0 BDAARM O=CNc1c([O-])c2ccccc2oc1=O ZINC000020177760 388756442 /nfs/dbraw/zinc/75/64/42/388756442.db2.gz VJXJRMMSMKSZFR-UHFFFAOYSA-N -1 0 205.169 1.067 50 0 biogenic BDAARM O=C([O-])C[C@@H](NC(=O)C1CCC1)C1CC1 ZINC000095970325 388798517 /nfs/dbraw/zinc/79/85/17/388798517.db2.gz RLHZLSFZGDDZQE-SECBINFHSA-N -1 0 211.261 1.156 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000299743049 388845022 /nfs/dbraw/zinc/84/50/22/388845022.db2.gz JQCXNEOCUUUZRG-OPQQBVKSSA-N -1 0 239.315 1.792 50 0 BDAARM CC(=O)N1CCN(c2cccc(C(=O)[O-])c2)CC1 ZINC000002457209 132314868 /nfs/dbraw/zinc/31/48/68/132314868.db2.gz GSXWOBXTCGEMEZ-UHFFFAOYSA-N -1 0 248.282 1.053 50 0 BDAARM CN1Cc2ccccc2N(CC(=O)[O-])C1=O ZINC000004520358 132316699 /nfs/dbraw/zinc/31/66/99/132316699.db2.gz YYGSYXAQZZTYJV-UHFFFAOYSA-N -1 0 220.228 1.143 50 0 BDAARM CN1C(=O)C[C@@H](C(=O)[O-])c2ccccc21 ZINC000009953725 132319503 /nfs/dbraw/zinc/31/95/03/132319503.db2.gz BCKRBJBCJOYSLP-MRVPVSSYSA-N -1 0 205.213 1.221 50 0 BDAARM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000020079816 132329891 /nfs/dbraw/zinc/32/98/91/132329891.db2.gz OTRDBTJTZUXOKP-UWVGGRQHSA-N -1 0 235.283 1.998 50 0 BDAARM C[C@H]1CN(c2ccc(C(=O)[O-])cn2)C[C@H](C)O1 ZINC000020283777 132331096 /nfs/dbraw/zinc/33/10/96/132331096.db2.gz ZABGXMCXGREUAJ-IUCAKERBSA-N -1 0 236.271 1.393 50 0 BDAARM O=C([O-])CCN1C(=O)COc2ccc(F)cc21 ZINC000057768441 132366485 /nfs/dbraw/zinc/36/64/85/132366485.db2.gz HJORTOLZTOMCKK-UHFFFAOYSA-N -1 0 239.202 1.026 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CC=CCC1)C1CC1 ZINC000262439705 135299847 /nfs/dbraw/zinc/29/98/47/135299847.db2.gz NSJFJLPLPIHRLP-VHSXEESVSA-N -1 0 237.299 1.807 50 0 BDAARM CS[C@H](C)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262888059 135322446 /nfs/dbraw/zinc/32/24/46/135322446.db2.gz HQBSJVCETNYYIS-SFYZADRCSA-N -1 0 231.317 1.204 50 0 BDAARM C[C@H](CN(C)c1ccnc2c1cnn2C)C(=O)[O-] ZINC000263543536 135358783 /nfs/dbraw/zinc/35/87/83/135358783.db2.gz FIABREWELFTYHS-MRVPVSSYSA-N -1 0 248.286 1.125 50 0 BDAARM CCC[C@H]1CN([C@@H](CC)C(=O)[O-])CCO1 ZINC000263576484 135360815 /nfs/dbraw/zinc/36/08/15/135360815.db2.gz QMVCAWHYAIHVBV-UWVGGRQHSA-N -1 0 215.293 1.351 50 0 BDAARM CCc1nsc(N(C)[C@@H](C)C(=O)[O-])n1 ZINC000083650772 135453086 /nfs/dbraw/zinc/45/30/86/135453086.db2.gz MIGRVPFJEBVDME-YFKPBYRVSA-N -1 0 215.278 1.010 50 0 BDAARM C[C@H](CNC(=O)c1cccc2c1CCC2)C(=O)[O-] ZINC000192882669 135579815 /nfs/dbraw/zinc/57/98/15/135579815.db2.gz HRSLHAKQOPPALE-SECBINFHSA-N -1 0 247.294 1.626 50 0 BDAARM C/C(=C\C(=O)N1CC[C@](C)(C(=O)[O-])C1)C1CC1 ZINC000170592072 397998498 /nfs/dbraw/zinc/99/84/98/397998498.db2.gz FOFYWALBXPQVDQ-XOVSCCBYSA-N -1 0 237.299 1.666 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1CC1 ZINC000069552147 398114182 /nfs/dbraw/zinc/11/41/82/398114182.db2.gz MXFDTAAFXOYLGV-SSDOTTSWSA-N -1 0 229.276 1.859 50 0 BDAARM CC(C)CNc1nc(C(=O)[O-])cs1 ZINC000003888210 167018821 /nfs/dbraw/zinc/01/88/21/167018821.db2.gz UFUMUUSTRGPREF-UHFFFAOYSA-N -1 0 200.263 1.909 50 0 BDAARM CC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100295566 166435896 /nfs/dbraw/zinc/43/58/96/166435896.db2.gz LKQXMOXGXKOHCB-UHFFFAOYSA-N -1 0 243.262 1.856 50 0 BDAARM CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC000014400909 166533273 /nfs/dbraw/zinc/53/32/73/166533273.db2.gz QCCYRUYZQOXLGV-UHFFFAOYSA-N -1 0 222.244 1.764 50 0 BDAARM CC(C)(C)OC(=O)NC1(CC(=O)[O-])CCC1 ZINC000034432183 166660129 /nfs/dbraw/zinc/66/01/29/166660129.db2.gz NGHWWOXFYMDOPV-UHFFFAOYSA-N -1 0 229.276 1.909 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@H](C)C(C)C ZINC000069685215 166948136 /nfs/dbraw/zinc/94/81/36/166948136.db2.gz KKXBFQSPMHLOKD-SNVBAGLBSA-N -1 0 229.320 1.848 50 0 BDAARM CC(C)CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000002570802 166995741 /nfs/dbraw/zinc/99/57/41/166995741.db2.gz MQZLINDXEIXGOM-YTWAJWBKSA-N -1 0 237.299 1.282 50 0 BDAARM CC(C)S(=O)(=O)c1nc2ccccc2[n-]1 ZINC000026423529 167320992 /nfs/dbraw/zinc/32/09/92/167320992.db2.gz XMZCDRYNNPAJRJ-UHFFFAOYSA-N -1 0 224.285 1.745 50 0 BDAARM CC(C)[C@@H](C(=O)[O-])n1cc(Br)cn1 ZINC000038054198 167346587 /nfs/dbraw/zinc/34/65/87/167346587.db2.gz SBWOHMWHMRERJH-ZETCQYMHSA-N -1 0 247.092 1.927 50 0 BDAARM CC(C)[C@@H](C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000019817850 167347198 /nfs/dbraw/zinc/34/71/98/167347198.db2.gz FGAZTRCSRQPMET-JTQLQIEISA-N -1 0 246.270 1.622 50 0 BDAARM CCn1nc(C)c2[n-]c(=S)n(CC)c(=O)c21 ZINC000101275527 410938625 /nfs/dbraw/zinc/93/86/25/410938625.db2.gz QZDSZRFTJBLJNH-UHFFFAOYSA-N -1 0 238.316 1.604 50 0 BDAARM CC(C)[C@@H](NC(=O)C[C@H]1CCCCO1)C(=O)[O-] ZINC000095030912 167423891 /nfs/dbraw/zinc/42/38/91/167423891.db2.gz QLRJZDYMAMRRQF-MWLCHTKSSA-N -1 0 243.303 1.171 50 0 BDAARM CCO[N-]C(=O)C1(c2ccc(F)cc2)CC1 ZINC000058647754 411185680 /nfs/dbraw/zinc/18/56/80/411185680.db2.gz AAMKJRPYGCIMDS-UHFFFAOYSA-N -1 0 223.247 1.925 50 0 BDAARM Cc1cc(=O)n(-c2ccccc2C(=O)[O-])[nH]1 ZINC000031892425 168135000 /nfs/dbraw/zinc/13/50/00/168135000.db2.gz QCEWKNJIXJIIDW-UHFFFAOYSA-N -1 0 218.212 1.497 50 0 BDAARM CCOC(=O)c1[nH]c(=O)c2ccccc2c1[O-] ZINC000013130180 170286430 /nfs/dbraw/zinc/28/64/30/170286430.db2.gz BOBTXTQSXBWIOR-UHFFFAOYSA-N -1 0 233.223 1.410 50 0 biogenic BDAARM CCOC(=O)c1ccccc1S(=O)(=O)[O-] ZINC000002165003 170300059 /nfs/dbraw/zinc/30/00/59/170300059.db2.gz LOLNBPIBSIYZQM-UHFFFAOYSA-N -1 0 230.241 1.110 50 0 BDAARM CCOC(=O)c1cccnc1SCC(=O)[O-] ZINC000000218531 170300219 /nfs/dbraw/zinc/30/02/19/170300219.db2.gz QRDPYFICIVAXGI-UHFFFAOYSA-N -1 0 241.268 1.435 50 0 BDAARM CCOC(=S)SC(C)(C)C(=O)[O-] ZINC000077028677 170311328 /nfs/dbraw/zinc/31/13/28/170311328.db2.gz FBDXTAKUEUFSGH-UHFFFAOYSA-N -1 0 208.304 1.904 50 0 BDAARM CCOCc1cc(C(=O)[O-])ccc1OC ZINC000004218621 170458433 /nfs/dbraw/zinc/45/84/33/170458433.db2.gz YAODNZKZSDFQHS-UHFFFAOYSA-N -1 0 210.229 1.930 50 0 BDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccco1 ZINC000097018231 171164402 /nfs/dbraw/zinc/16/44/02/171164402.db2.gz HFXUEKSKWMMRHT-NSHDSACASA-N -1 0 225.244 1.653 50 0 BDAARM CC[C@H](C(=O)[O-])n1nnc(-c2ccsc2)n1 ZINC000004218785 171239118 /nfs/dbraw/zinc/23/91/18/171239118.db2.gz SMXMWEJIWOYPQS-SSDOTTSWSA-N -1 0 238.272 1.437 50 0 BDAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)C1CC1)C(=O)[O-] ZINC000148799921 171398420 /nfs/dbraw/zinc/39/84/20/171398420.db2.gz MCFWBAUGUODTFE-NRPADANISA-N -1 0 227.304 1.648 50 0 BDAARM CCc1c(OC)cc(C(=O)[O-])cc1OC ZINC000142792828 171745149 /nfs/dbraw/zinc/74/51/49/171745149.db2.gz DZTFGFNNWPBJJT-UHFFFAOYSA-N -1 0 210.229 1.964 50 0 BDAARM CCc1nc2ccccc2n1CC(=O)[O-] ZINC000000101275 172013960 /nfs/dbraw/zinc/01/39/60/172013960.db2.gz AIOOJAWBQBWGRB-UHFFFAOYSA-N -1 0 204.229 1.683 50 0 BDAARM CCc1occc1C(=O)N[C@H](C)C(=O)[O-] ZINC000234168463 172117931 /nfs/dbraw/zinc/11/79/31/172117931.db2.gz YZURRSHDCLXCDG-ZCFIWIBFSA-N -1 0 211.217 1.045 50 0 BDAARM CCn1cc([C@@H]2OCCC[C@H]2C(=O)[O-])cn1 ZINC000098095711 172195879 /nfs/dbraw/zinc/19/58/79/172195879.db2.gz GLCZJVBGCBLVOP-ZJUUUORDSA-N -1 0 224.260 1.455 50 0 BDAARM CCn1ncc2c1nc(C)cc2C(=O)[O-] ZINC000012351570 172256919 /nfs/dbraw/zinc/25/69/19/172256919.db2.gz JTTJVZMRWYUXBW-UHFFFAOYSA-N -1 0 205.217 1.458 50 0 BDAARM CCn1nccc1[C@@H]1OCC[C@H]1C(=O)[O-] ZINC000096301156 172277766 /nfs/dbraw/zinc/27/77/66/172277766.db2.gz HMMUWSZAQXKHAS-VXNVDRBHSA-N -1 0 210.233 1.065 50 0 BDAARM CN(C(=O)/C=C/C(=O)[O-])C1CCCCC1 ZINC000001959033 172292174 /nfs/dbraw/zinc/29/21/74/172292174.db2.gz IRBGCRGCLJXWBN-BQYQJAHWSA-N -1 0 211.261 1.418 50 0 BDAARM CN(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000035281832 172375391 /nfs/dbraw/zinc/37/53/91/172375391.db2.gz QYYNPFIFGAZSQR-ZDUSSCGKSA-N -1 0 235.283 1.507 50 0 BDAARM CN(C)c1cc(C(=O)[O-])cc(Cl)n1 ZINC000036960248 172544951 /nfs/dbraw/zinc/54/49/51/172544951.db2.gz FZGKYBLWJTYHTF-UHFFFAOYSA-N -1 0 200.625 1.499 50 0 BDAARM CN1CC[C@@](Cc2ccccc2)(C(=O)[O-])C1=O ZINC000390822138 173135914 /nfs/dbraw/zinc/13/59/14/173135914.db2.gz KBCMAFCOTKGLPA-ZDUSSCGKSA-N -1 0 233.267 1.162 50 0 BDAARM COc1ccc(-c2nc(C(=O)[O-])no2)cc1 ZINC000005527143 175038643 /nfs/dbraw/zinc/03/86/43/175038643.db2.gz UVNSBLCNDDHPQO-UHFFFAOYSA-N -1 0 220.184 1.443 50 0 BDAARM COc1ccc(-c2nnc(C(=O)[O-])o2)cc1 ZINC000032013563 175041148 /nfs/dbraw/zinc/04/11/48/175041148.db2.gz QAGOQFIFSCKSDS-UHFFFAOYSA-N -1 0 220.184 1.443 50 0 BDAARM COc1ccc(Br)c(N)c1C(=O)[O-] ZINC000052092486 175051169 /nfs/dbraw/zinc/05/11/69/175051169.db2.gz VRNHYOUHVGOECL-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM COc1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000040909378 175058380 /nfs/dbraw/zinc/05/83/80/175058380.db2.gz SOBFUPFQMSCBKQ-UHFFFAOYSA-N -1 0 237.255 1.288 50 0 BDAARM COc1ccc2c(c1)C(=O)CC[C@@H](C(=O)[O-])C2 ZINC000000401220 175206853 /nfs/dbraw/zinc/20/68/53/175206853.db2.gz SGNQYNKSGSSVLP-SECBINFHSA-N -1 0 234.251 1.915 50 0 BDAARM COc1cccc(-n2nnc(C(=O)[O-])c2C)c1 ZINC000004943146 175239691 /nfs/dbraw/zinc/23/96/91/175239691.db2.gz GMCAEMVOKZCERW-UHFFFAOYSA-N -1 0 233.227 1.283 50 0 BDAARM COc1cccc(CCC(=O)[O-])c1OC ZINC000001762244 175250868 /nfs/dbraw/zinc/25/08/68/175250868.db2.gz QPHAUUNQQLRYCJ-UHFFFAOYSA-N -1 0 210.229 1.721 50 0 biogenic BDAARM COc1cccc(CN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000008016241 175259639 /nfs/dbraw/zinc/25/96/39/175259639.db2.gz JFCMWRAGMBVEOV-JTQLQIEISA-N -1 0 249.266 1.128 50 0 BDAARM COc1cccc(N(C)CCC(=O)[O-])c1 ZINC000014001748 175275675 /nfs/dbraw/zinc/27/56/75/175275675.db2.gz VISAOLSKRMWKIH-UHFFFAOYSA-N -1 0 209.245 1.606 50 0 BDAARM COc1cccc(OCc2nc(C(=O)[O-])co2)c1 ZINC000067642350 175284432 /nfs/dbraw/zinc/28/44/32/175284432.db2.gz DGSTYBNQLKBRNI-UHFFFAOYSA-N -1 0 249.222 1.960 50 0 BDAARM COc1cccc2c1OCC(C(=O)[O-])=C2 ZINC000000168993 175304179 /nfs/dbraw/zinc/30/41/79/175304179.db2.gz VAOZSTIKIWWEDB-UHFFFAOYSA-N -1 0 206.197 1.556 50 0 biogenic BDAARM COc1ccccc1-n1cn[n-]c1=S ZINC000006476606 175312436 /nfs/dbraw/zinc/31/24/36/175312436.db2.gz QRAKHSMJURHRMO-UHFFFAOYSA-N -1 0 207.258 1.938 50 0 BDAARM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccsc1 ZINC000054051278 175623221 /nfs/dbraw/zinc/62/32/21/175623221.db2.gz JFUJAEHKHSMKJJ-ZETCQYMHSA-N -1 0 227.285 1.222 50 0 BDAARM C[C@@H]1CCCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)C1 ZINC000034926431 176094846 /nfs/dbraw/zinc/09/48/46/176094846.db2.gz SOMJPPGYJWKMIA-OPRDCNLKSA-N -1 0 239.315 1.602 50 0 BDAARM C[C@@H]1CCC[C@@H](NC(=O)COCC(=O)[O-])[C@@H]1C ZINC000004784733 176121508 /nfs/dbraw/zinc/12/15/08/176121508.db2.gz KXZFPZXUSZQUTH-OPRDCNLKSA-N -1 0 243.303 1.029 50 0 BDAARM C[C@@H](NC(=O)CO[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237410934 176125367 /nfs/dbraw/zinc/12/53/67/176125367.db2.gz VQEPAFVKPQSPLT-OPRDCNLKSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@@H]1Cc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000000874564 176451404 /nfs/dbraw/zinc/45/14/04/176451404.db2.gz ODIZGPXUVVEESJ-SECBINFHSA-N -1 0 233.267 1.829 50 0 BDAARM C[C@@H]1Sc2ccc(C(=O)[O-])cc2NC1=O ZINC000000336195 176489361 /nfs/dbraw/zinc/48/93/61/176489361.db2.gz QSSXMCACTGDTCK-YFKPBYRVSA-N -1 0 223.253 1.818 50 0 BDAARM C[C@H]1CN(CC(=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000237662851 177243585 /nfs/dbraw/zinc/24/35/85/177243585.db2.gz WQJNHAJSBOGWED-CMPLNLGQSA-N -1 0 235.283 1.533 50 0 BDAARM C[C@H]1C[C@H](C)CN(C(=O)CSCC(=O)[O-])C1 ZINC000004916326 177357856 /nfs/dbraw/zinc/35/78/56/177357856.db2.gz PBXZBMCZYSMVLN-IUCAKERBSA-N -1 0 245.344 1.309 50 0 BDAARM C[C@H]1C[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019267309 177377245 /nfs/dbraw/zinc/37/72/45/177377245.db2.gz IJTOTRUJDDJHPO-GZMMTYOYSA-N -1 0 233.267 1.657 50 0 BDAARM Cc1[nH]c(=O)c(C(=O)[O-])cc1Br ZINC000071603160 177504309 /nfs/dbraw/zinc/50/43/09/177504309.db2.gz FOAHQNRDEKWUEW-UHFFFAOYSA-N -1 0 232.033 1.144 50 0 BDAARM Cc1csc2c1[n-]c(=S)n(C)c2=O ZINC000000082280 229329731 /nfs/dbraw/zinc/32/97/31/229329731.db2.gz TWTNTZBOJVCOMJ-UHFFFAOYSA-N -1 0 212.299 1.966 50 0 BDAARM O=C([O-])[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000334163902 487859685 /nfs/dbraw/zinc/85/96/85/487859685.db2.gz WQIKSOQPKGGKRQ-WDSKDSINSA-N -1 0 228.166 1.055 50 0 BDAARM CCCCCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000048733243 487930291 /nfs/dbraw/zinc/93/02/91/487930291.db2.gz WOZVOAHUJUJUNW-QMMMGPOBSA-N -1 0 240.307 1.187 50 0 BDAARM C[C@H](CN(C(=O)C1CC=CC1)C1CC1)C(=O)[O-] ZINC000097231908 322986435 /nfs/dbraw/zinc/98/64/35/322986435.db2.gz GFTCMZGLPZPLEF-SECBINFHSA-N -1 0 237.299 1.664 50 0 BDAARM Cc1cc(CN(C)C(=O)CCC(=O)[O-])ccn1 ZINC000534642167 323156549 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/nfs/dbraw/zinc/74/46/78/342744678.db2.gz OWVLQYNNEXUSHO-UHFFFAOYSA-N -1 0 248.213 1.378 50 0 BDAARM O=c1c(-c2nnn[n-]2)coc2ccc(Cl)cc21 ZINC000004473173 342748116 /nfs/dbraw/zinc/74/81/16/342748116.db2.gz WXVLUOKHJBDAHP-UHFFFAOYSA-N -1 0 248.629 1.627 50 0 BDAARM CC(C)(C(=O)[O-])n1cc(Br)cn1 ZINC000002535179 342723145 /nfs/dbraw/zinc/72/31/45/342723145.db2.gz FDFLFWTVMKIZMX-UHFFFAOYSA-N -1 0 233.065 1.465 50 0 BDAARM O=C([O-])c1cc2nccc(-c3ccco3)n2n1 ZINC000002537107 342723320 /nfs/dbraw/zinc/72/33/20/342723320.db2.gz WVANFBWIAZCONH-UHFFFAOYSA-N -1 0 229.195 1.688 50 0 BDAARM CSC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002554998 342723868 /nfs/dbraw/zinc/72/38/68/342723868.db2.gz WFDQTEFRLDDJAM-LURJTMIESA-N -1 0 235.305 1.327 50 0 BDAARM O=C([O-])c1cc(O)ccc1NC(=O)C1CC1 ZINC000004674904 342750512 /nfs/dbraw/zinc/75/05/12/342750512.db2.gz MEPLUSPZRYYTTI-UHFFFAOYSA-N -1 0 221.212 1.439 50 0 BDAARM O=C([O-])CNC(=O)/C=C/c1ccccc1F ZINC000003588417 342734815 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FWGJQQSTZGBXSI-UHFFFAOYSA-N -1 0 206.176 1.914 50 0 BDAARM Cc1ccc(C(=O)[O-])c(OC[C@H]2CCCO2)n1 ZINC000042784247 178441304 /nfs/dbraw/zinc/44/13/04/178441304.db2.gz LUBBBUOKBZZLOO-SECBINFHSA-N -1 0 237.255 1.646 50 0 BDAARM Cc1cc(C)n(Cc2ccco2)c(=O)c1C(=O)[O-] ZINC000008991443 342806857 /nfs/dbraw/zinc/80/68/57/342806857.db2.gz PBUCBCVFRXLSAU-UHFFFAOYSA-N -1 0 247.250 1.805 50 0 BDAARM CCCC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000011638302 342842285 /nfs/dbraw/zinc/84/22/85/342842285.db2.gz LPCCRGDVOZJRAP-UHFFFAOYSA-N -1 0 223.228 1.829 50 0 BDAARM CC(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000011566520 342841608 /nfs/dbraw/zinc/84/16/08/342841608.db2.gz WTTTVJRTMHFDHO-UHFFFAOYSA-N -1 0 213.277 1.356 50 0 BDAARM C[C@]12CCC(=O)[C@@H](CCC(=O)[O-])[C@H]1CCC2=O ZINC000101368894 398319202 /nfs/dbraw/zinc/31/92/02/398319202.db2.gz PCCFNLPWOFTZPJ-RWEMILLDSA-N -1 0 238.283 1.816 50 0 BDAARM O=c1[nH]c2ccccc2c([O-])c1Br ZINC000016525276 342912002 /nfs/dbraw/zinc/91/20/02/342912002.db2.gz JJVRAMNFIQYYMP-UHFFFAOYSA-N -1 0 240.056 1.996 50 0 BDAARM O=C([O-])c1cnc(COc2ccccc2)[nH]c1=O ZINC000020134276 342970855 /nfs/dbraw/zinc/97/08/55/342970855.db2.gz HGFAMXXFTBIGOY-UHFFFAOYSA-N -1 0 246.222 1.047 50 0 BDAARM Nc1c(C(=O)[O-])cnc2nc3ccccc3n21 ZINC000020134402 342971104 /nfs/dbraw/zinc/97/11/04/342971104.db2.gz PYEDAIXBHFQFFZ-UHFFFAOYSA-N -1 0 228.211 1.163 50 0 BDAARM C[C@H](NC(=O)NC1CCCCC1)C(=O)[O-] ZINC000019978572 342965609 /nfs/dbraw/zinc/96/56/09/342965609.db2.gz RCFOPGZRGVAKMG-ZETCQYMHSA-N -1 0 214.265 1.091 50 0 BDAARM Nc1nc(C(=O)[O-])c(C(F)(F)F)s1 ZINC000020357793 342983562 /nfs/dbraw/zinc/98/35/62/342983562.db2.gz WKLMMGOQPSMWRH-UHFFFAOYSA-N -1 0 212.152 1.442 50 0 BDAARM CSc1nc2ccccc2c(O)c1C(=O)[O-] ZINC000021365561 343011825 /nfs/dbraw/zinc/01/18/25/343011825.db2.gz VKEXIWPTMGKMOU-UHFFFAOYSA-N -1 0 235.264 1.948 50 0 BDAARM CC(C)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000021951589 343029216 /nfs/dbraw/zinc/02/92/16/343029216.db2.gz JAIZTNQYPRQPRN-UHFFFAOYSA-N -1 0 221.256 1.624 50 0 BDAARM O=C([O-])c1cccc(OC(F)(F)F)c1O ZINC000022011140 343034385 /nfs/dbraw/zinc/03/43/85/343034385.db2.gz SDFAGXLFYRIEBD-UHFFFAOYSA-N -1 0 222.118 1.989 50 0 BDAARM CN(CC(=O)[O-])c1nc2ccccc2s1 ZINC000022168548 343043016 /nfs/dbraw/zinc/04/30/16/343043016.db2.gz USYIIHFJNNAEMI-UHFFFAOYSA-N -1 0 222.269 1.817 50 0 BDAARM CC(=O)N/C(=C\c1ccsc1)C(=O)[O-] ZINC000033305618 343250681 /nfs/dbraw/zinc/25/06/81/343250681.db2.gz SQJBLXUDQHJGCT-YWEYNIOJSA-N -1 0 211.242 1.310 50 0 BDAARM CCc1nc(C(=O)[O-])nn1-c1ccccc1 ZINC000036879546 343326157 /nfs/dbraw/zinc/32/61/57/343326157.db2.gz FYEYFUIBSCBRKD-UHFFFAOYSA-N -1 0 217.228 1.528 50 0 BDAARM O=C([O-])c1cnnn1-c1cccc(F)c1 ZINC000036917430 343327491 /nfs/dbraw/zinc/32/74/91/343327491.db2.gz ARFREYRUAGJAID-UHFFFAOYSA-N -1 0 207.164 1.105 50 0 BDAARM Nc1nc(CSCC(=O)[O-])nc2ccccc12 ZINC000036970337 343328808 /nfs/dbraw/zinc/32/88/08/343328808.db2.gz OPSWYGKIHTYDSZ-UHFFFAOYSA-N -1 0 249.295 1.530 50 0 BDAARM O=C([O-])c1cccc(C(=O)NC2CC2)c1 ZINC000035347399 343294502 /nfs/dbraw/zinc/29/45/02/343294502.db2.gz RIYVMGLVUQLYJB-UHFFFAOYSA-N -1 0 205.213 1.277 50 0 BDAARM O=C([O-])c1cccn1Cc1cccnc1 ZINC000035431546 343297018 /nfs/dbraw/zinc/29/70/18/343297018.db2.gz JJBSHDIWHGYCGS-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM CCN(C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000037078587 343333083 /nfs/dbraw/zinc/33/30/83/343333083.db2.gz SWWGCRIUWROKGX-UHFFFAOYSA-N -1 0 243.284 1.025 50 0 BDAARM CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)[O-] ZINC000038538352 343377022 /nfs/dbraw/zinc/37/70/22/343377022.db2.gz OWKAFGALKWOGOO-LLVKDONJSA-N -1 0 245.275 1.097 50 0 BDAARM CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000037358262 343343911 /nfs/dbraw/zinc/34/39/11/343343911.db2.gz JZGLXYSGNXGPCJ-SECBINFHSA-N -1 0 215.199 1.652 50 0 biogenic BDAARM O=C([O-])c1ccccc1Oc1ncccn1 ZINC000040542878 343406885 /nfs/dbraw/zinc/40/68/85/343406885.db2.gz BCIHMWNOJJYBSJ-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM O=C([O-])c1cncnc1Oc1ccccc1 ZINC000044126600 343492815 /nfs/dbraw/zinc/49/28/15/343492815.db2.gz DTKJQDWGSCPDJN-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM O=C([O-])c1cccc(CC2OCCO2)c1 ZINC000043214132 343465862 /nfs/dbraw/zinc/46/58/62/343465862.db2.gz OZMJVFGAVKZJMT-UHFFFAOYSA-N -1 0 208.213 1.300 50 0 BDAARM CSc1nc(-c2ccccc2)nc(=O)[n-]1 ZINC000013465929 346948187 /nfs/dbraw/zinc/94/81/87/346948187.db2.gz LNZNGZRZPAVAIL-UHFFFAOYSA-N -1 0 219.269 1.554 50 0 BDAARM CCCNC(=O)Nc1ncc(C(=O)[O-])s1 ZINC000720018723 537832148 /nfs/dbraw/zinc/83/21/48/537832148.db2.gz CNEPVKBKNVFOFT-UHFFFAOYSA-N -1 0 229.261 1.373 50 0 BDAARM O=C([O-])[C@@H]1NC(=O)C[C@H]1c1cccc(Cl)c1 ZINC000040449246 343943314 /nfs/dbraw/zinc/94/33/14/343943314.db2.gz IGCXWZBBWWUORU-WCBMZHEXSA-N -1 0 239.658 1.397 50 0 BDAARM CC(C)c1ncc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC000585134464 344146785 /nfs/dbraw/zinc/14/67/85/344146785.db2.gz VEKTZOFDSVORNP-BDAKNGLRSA-N -1 0 249.270 1.259 50 0 BDAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)C=C1CCC1 ZINC000585134608 344146946 /nfs/dbraw/zinc/14/69/46/344146946.db2.gz BUJJVIRYFMBOEY-LBPRGKRZSA-N -1 0 223.272 1.562 50 0 BDAARM O=C([O-])CCc1ccccc1C(=O)NCC1CC1 ZINC000585134110 344147472 /nfs/dbraw/zinc/14/74/72/344147472.db2.gz FBZKCZLSQVPTDO-UHFFFAOYSA-N -1 0 247.294 1.844 50 0 BDAARM COc1nccc(CC(=O)[O-])c1C(F)(F)F ZINC000380850052 344443683 /nfs/dbraw/zinc/44/36/83/344443683.db2.gz XNTMHWAKICYQMM-UHFFFAOYSA-N -1 0 235.161 1.736 50 0 BDAARM CC[C@@H](OC)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000262151819 344732195 /nfs/dbraw/zinc/73/21/95/344732195.db2.gz RKUOJROMLRPUAD-SNVBAGLBSA-N -1 0 237.255 1.748 50 0 BDAARM CN(C)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000386699 344741073 /nfs/dbraw/zinc/74/10/73/344741073.db2.gz XVMCOWDJFDRNAV-VOTSOKGWSA-N -1 0 234.255 1.332 50 0 BDAARM O=C([O-])[C@]1(c2ccccc2)CCC(=O)C1 ZINC000000328205 344699847 /nfs/dbraw/zinc/69/98/47/344699847.db2.gz GZFDVSDSPLDDJS-GFCCVEGCSA-N -1 0 204.225 1.762 50 0 BDAARM O=C([O-])Cc1cc(=O)[nH]cc1C(F)(F)F ZINC000238688289 345112725 /nfs/dbraw/zinc/11/27/25/345112725.db2.gz VAYYUSLJCQBXEV-UHFFFAOYSA-N -1 0 221.134 1.433 50 0 BDAARM Cc1ccc(NC(=O)N[C@H](C)C(=O)[O-])c(C)c1 ZINC000006281811 537894776 /nfs/dbraw/zinc/89/47/76/537894776.db2.gz AHDXXPLHSBPXDF-SECBINFHSA-N -1 0 236.271 1.898 50 0 BDAARM O=C([O-])[C@H]1SCCN1c1ccccc1 ZINC000000443021 345762082 /nfs/dbraw/zinc/76/20/82/345762082.db2.gz WGIROCSDYHZQIG-SECBINFHSA-N -1 0 209.270 1.651 50 0 BDAARM Cc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)o1 ZINC000004614244 178925320 /nfs/dbraw/zinc/92/53/20/178925320.db2.gz FKQBFGPLBKOCDT-SVRRBLITSA-N -1 0 213.258 1.376 50 0 BDAARM C/C(=C\C(=O)Nc1nccs1)C(=O)[O-] ZINC000005220512 345919313 /nfs/dbraw/zinc/91/93/13/345919313.db2.gz LQMDSXLXFGYONW-SNAWJCMRSA-N -1 0 212.230 1.113 50 0 BDAARM CC1(C)S[C@@H](c2ccncc2)N[C@H]1C(=O)[O-] ZINC000005304299 346182079 /nfs/dbraw/zinc/18/20/79/346182079.db2.gz CULRMXDEHPITBT-IUCAKERBSA-N -1 0 238.312 1.648 50 0 BDAARM CC(C)(C#N)NC(=O)c1ccccc1C(=O)[O-] ZINC000003160344 346227631 /nfs/dbraw/zinc/22/76/31/346227631.db2.gz IWZFWDURXOSCED-UHFFFAOYSA-N -1 0 232.239 1.417 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](/C=C/c2ccccc2)N1 ZINC000005515250 346246093 /nfs/dbraw/zinc/24/60/93/346246093.db2.gz AVCZCIMDECJOPA-JNQBIPAQSA-N -1 0 235.308 1.816 50 0 BDAARM Cc1cccc(C(=O)N[C@H](C)CCC(=O)[O-])c1 ZINC000070311050 179023611 /nfs/dbraw/zinc/02/36/11/179023611.db2.gz XWFQFCFIJPDCIZ-SNVBAGLBSA-N -1 0 235.283 1.978 50 0 BDAARM Cc1cccc(CC(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000097018905 179052654 /nfs/dbraw/zinc/05/26/54/179052654.db2.gz WFJDTUOCDHNMDL-UHFFFAOYSA-N -1 0 249.310 1.765 50 0 BDAARM Cc1ccc(CNC(=O)/C=C/C(=O)[O-])cc1 ZINC000000104132 346400943 /nfs/dbraw/zinc/40/09/43/346400943.db2.gz NEUHICJDMZVKSH-VOTSOKGWSA-N -1 0 219.240 1.252 50 0 BDAARM Cc1ccc(NC(=O)c2nc[nH]n2)c(C)c1 ZINC000005730447 347136665 /nfs/dbraw/zinc/13/66/65/347136665.db2.gz QHPIZDVZQWBZPC-UHFFFAOYSA-N -1 0 216.244 1.674 50 0 BDAARM CSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000018227440 347289478 /nfs/dbraw/zinc/28/94/78/347289478.db2.gz XWXMISGGKRKDLW-UHFFFAOYSA-N -1 0 234.280 1.660 50 0 BDAARM Cc1ccccc1/C=C\C(=O)NCC(=O)[O-] ZINC000004668533 179244128 /nfs/dbraw/zinc/24/41/28/179244128.db2.gz NOEFVRUDNZBVAM-SREVYHEPSA-N -1 0 219.240 1.209 50 0 BDAARM Cc1ccccc1N1C[C@H](C(=O)[O-])CC1=O ZINC000000317522 179295487 /nfs/dbraw/zinc/29/54/87/179295487.db2.gz GWCVJEVNUIDHPH-SECBINFHSA-N -1 0 219.240 1.433 50 0 BDAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(N)=O ZINC000012998133 179340702 /nfs/dbraw/zinc/34/07/02/179340702.db2.gz JAGHAYFBBUXGSX-VIFPVBQESA-N -1 0 222.244 1.179 50 0 BDAARM Cc1ccnc(NC(=O)CCCC(=O)[O-])c1 ZINC000000398329 179436100 /nfs/dbraw/zinc/43/61/00/179436100.db2.gz SITCUFCVKXCVAH-UHFFFAOYSA-N -1 0 222.244 1.583 50 0 BDAARM Cc1cnc2c(c1)c(C1CC1)nn2CC(=O)[O-] ZINC000012351653 179656580 /nfs/dbraw/zinc/65/65/80/179656580.db2.gz UEKXNTDSZUISKK-UHFFFAOYSA-N -1 0 231.255 1.702 50 0 BDAARM Cc1nc(Br)n(C)c1C(=O)[O-] ZINC000118363353 348992055 /nfs/dbraw/zinc/99/20/55/348992055.db2.gz WJWWTHYHCNGWAH-UHFFFAOYSA-N -1 0 219.038 1.189 50 0 BDAARM Cc1nc(OC(F)F)c(C(=O)[O-])s1 ZINC000145534249 180027051 /nfs/dbraw/zinc/02/70/51/180027051.db2.gz AHLHUMOBYBIMTK-UHFFFAOYSA-N -1 0 209.173 1.751 50 0 BDAARM Cc1nc([C@H]2CCOC2)sc1C(=O)[O-] ZINC000051691239 180056462 /nfs/dbraw/zinc/05/64/62/180056462.db2.gz YCYAFPPJVNYIHM-LURJTMIESA-N -1 0 213.258 1.654 50 0 BDAARM O=C([O-])[C@@H]1C(=O)NC[C@H]1c1ccccc1Cl ZINC000040449445 350364977 /nfs/dbraw/zinc/36/49/77/350364977.db2.gz MLVZUUPFXGUZTA-CBAPKCEASA-N -1 0 239.658 1.254 50 0 BDAARM Cn1c2ncc(C(=O)[O-])cc2nc1C1CCC1 ZINC000040449324 350365228 /nfs/dbraw/zinc/36/52/28/350365228.db2.gz NXYAUNIXGXNKHD-UHFFFAOYSA-N -1 0 231.255 1.934 50 0 BDAARM Cc1noc2nc3c(c(C(=O)[O-])c12)CCC3 ZINC000019702700 180502123 /nfs/dbraw/zinc/50/21/23/180502123.db2.gz GEZDYTMRGICAFR-UHFFFAOYSA-N -1 0 218.212 1.718 50 0 BDAARM CC(=O)N/C(=C/c1ccc(C)c(C)c1)C(=O)[O-] ZINC000000128299 187755539 /nfs/dbraw/zinc/75/55/39/187755539.db2.gz XNMBCSVGHVXHRV-KPKJPENVSA-N -1 0 233.267 1.865 50 0 BDAARM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000003073971 187756136 /nfs/dbraw/zinc/75/61/36/187756136.db2.gz CNBQGXOEOOVTPA-NSHDSACASA-N -1 0 219.240 1.044 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](F)C1 ZINC000095616708 187800632 /nfs/dbraw/zinc/80/06/32/187800632.db2.gz HEDHHUUQWWXVTC-NKWVEPMBSA-N -1 0 233.239 1.276 50 0 BDAARM CC(C)=CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000061608446 187834057 /nfs/dbraw/zinc/83/40/57/187834057.db2.gz KLTBNDCTHDNEQM-GFCCVEGCSA-N -1 0 247.294 1.937 50 0 BDAARM Cc1nc(Cl)cc(N2CCC[C@@H]2C(=O)[O-])n1 ZINC000001269844 353120005 /nfs/dbraw/zinc/12/00/05/353120005.db2.gz UUUVMDDPARXAOG-SSDOTTSWSA-N -1 0 241.678 1.492 50 0 BDAARM O=C([O-])[C@@H]1CCn2c(nc3ccccc32)C1 ZINC000049455198 353164573 /nfs/dbraw/zinc/16/45/73/353164573.db2.gz LRFTVNCRACYRDG-MRVPVSSYSA-N -1 0 216.240 1.683 50 0 BDAARM CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000075286096 188471557 /nfs/dbraw/zinc/47/15/57/188471557.db2.gz WGRRDHAJYZWLGI-MRVPVSSYSA-N -1 0 221.256 1.908 50 0 BDAARM C/C=C(\C)C(=O)N(CC)C[C@@H](C)C(=O)[O-] ZINC000097036010 188545376 /nfs/dbraw/zinc/54/53/76/188545376.db2.gz UQHMDPIIQBTKPY-WHXYTISESA-N -1 0 213.277 1.522 50 0 BDAARM COc1cc(NC(C)=O)cc(C(=O)[O-])c1 ZINC000002559238 355924805 /nfs/dbraw/zinc/92/48/05/355924805.db2.gz CUTDJCLTOMWNGD-UHFFFAOYSA-N -1 0 209.201 1.352 50 0 BDAARM CC(C)(O)C1(C(=O)[O-])[C@@H]2C=CC3C=C[C@@H]1C23 ZINC000045027993 356371897 /nfs/dbraw/zinc/37/18/97/356371897.db2.gz CNCRUTLUUWSYJX-KHUBWZJQSA-N -1 0 220.268 1.446 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccccc1 ZINC000019425705 356482961 /nfs/dbraw/zinc/48/29/61/356482961.db2.gz WSBOYOYQOJYXMU-IDVQTMNDSA-N -1 0 245.278 1.775 50 0 BDAARM Nc1cc(CC(=O)[O-])ccc1NC1CC1 ZINC000675068123 538495976 /nfs/dbraw/zinc/49/59/76/538495976.db2.gz TVHURKXEJBYGSA-UHFFFAOYSA-N -1 0 206.245 1.470 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)[O-] ZINC000096988276 538616397 /nfs/dbraw/zinc/61/63/97/538616397.db2.gz AKVVYXLGIYZXKV-DJLDLDEBSA-N -1 0 241.287 1.574 50 0 BDAARM O=C([O-])/C=C/C(=O)n1ccnc1-c1ccccc1 ZINC000075250694 356913114 /nfs/dbraw/zinc/91/31/14/356913114.db2.gz GUAXXUHKGVMKGG-VOTSOKGWSA-N -1 0 242.234 1.831 50 0 BDAARM O=C([O-])[C@H]1CC(=O)O[C@@H]1C(Cl)(Cl)Cl ZINC000001593204 356985900 /nfs/dbraw/zinc/98/59/00/356985900.db2.gz GOVVZEAQWXZNCC-OKKQSCSOSA-N -1 0 247.461 1.373 50 0 BDAARM O=C([O-])c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000035347552 357191643 /nfs/dbraw/zinc/19/16/43/357191643.db2.gz HAJCWNNVLUOJHM-UHFFFAOYSA-N -1 0 247.172 1.677 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000006222884 357194226 /nfs/dbraw/zinc/19/42/26/357194226.db2.gz VSFAUFULKMAMRL-HBNTYKKESA-N -1 0 231.251 1.900 50 0 BDAARM CC(C)OCC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000157996433 538844429 /nfs/dbraw/zinc/84/44/29/538844429.db2.gz RHHSKJHZQVMKAT-SNVBAGLBSA-N -1 0 243.303 1.267 50 0 BDAARM O=C([O-])[C@H]1Cc2ccccc2O[C@@H]1C(F)F ZINC000685939316 538886543 /nfs/dbraw/zinc/88/65/43/538886543.db2.gz QYIUGQOEDXBLHI-CBAPKCEASA-N -1 0 228.194 1.956 50 0 BDAARM Nc1ccc(F)c(-c2cc(C(=O)[O-])n[nH]2)c1 ZINC000685949125 538892578 /nfs/dbraw/zinc/89/25/78/538892578.db2.gz JJESABZXWUIROI-UHFFFAOYSA-N -1 0 221.191 1.496 50 0 BDAARM Cn1ccc2c1cccc2C(=O)NCCC(=O)[O-] ZINC000049543538 358076271 /nfs/dbraw/zinc/07/62/71/358076271.db2.gz ZXHNNEZLPJWOEQ-UHFFFAOYSA-N -1 0 246.266 1.383 50 0 biogenic BDAARM COC(=O)C1=C([O-])c2ccc(OC)cc2CC1 ZINC000039214356 358219902 /nfs/dbraw/zinc/21/99/02/358219902.db2.gz ZMHYDSAWFKQVKL-LLVKDONJSA-N -1 0 234.251 1.613 50 0 BDAARM CC(C)(C)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000042144137 166524454 /nfs/dbraw/zinc/52/44/54/166524454.db2.gz OSKWHMAOFIIQIJ-QMMMGPOBSA-N -1 0 213.277 1.498 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1OCC(C)(C)O ZINC000144342078 360527407 /nfs/dbraw/zinc/52/74/07/360527407.db2.gz QRAYCJDOSLKHBG-UHFFFAOYSA-N -1 0 224.256 1.843 50 0 BDAARM CC[C@@H](C(=O)[O-])[S@](=O)c1ccc(C)cc1 ZINC000040955449 360938446 /nfs/dbraw/zinc/93/84/46/360938446.db2.gz WHZFEMFXJCAZJS-BONVTDFDSA-N -1 0 226.297 1.966 50 0 BDAARM [NH3+]C(CCCCC(=O)[O-])CCCCC(=O)[O-] ZINC000002151107 181322660 /nfs/dbraw/zinc/32/26/60/181322660.db2.gz CYQNLOGQMXTRSY-UHFFFAOYSA-N -1 0 231.292 1.604 50 0 biogenic BDAARM Nc1ccc(CC(=O)[O-])c(C(F)(F)F)n1 ZINC000238585594 361158292 /nfs/dbraw/zinc/15/82/92/361158292.db2.gz QTHVADDUNYVNAI-UHFFFAOYSA-N -1 0 220.150 1.310 50 0 BDAARM CCC[C@@H](OCC)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000630173756 364005644 /nfs/dbraw/zinc/00/56/44/364005644.db2.gz CDMUKNNIKBDUMX-VHSXEESVSA-N -1 0 243.303 1.267 50 0 BDAARM O=C([O-])[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1 ZINC000011890469 370777729 /nfs/dbraw/zinc/77/77/29/370777729.db2.gz PNXOCTYUXPUBNW-MNOVXSKESA-N -1 0 249.266 1.108 50 0 BDAARM CCOc1cccc(NN=C(C)C(=O)[O-])n1 ZINC000252627996 364362733 /nfs/dbraw/zinc/36/27/33/364362733.db2.gz SFVBNNQUGQOKQA-UHFFFAOYSA-N -1 0 223.232 1.353 50 0 BDAARM CCCOc1ccc(CC(=O)[O-])cc1N ZINC000084902163 541364384 /nfs/dbraw/zinc/36/43/84/541364384.db2.gz DBXDALMFBIXSCK-UHFFFAOYSA-N -1 0 209.245 1.685 50 0 BDAARM COC(=O)c1cc([S@](=O)[O-])ccc1Cl ZINC000675060643 541463495 /nfs/dbraw/zinc/46/34/95/541463495.db2.gz FVWLYVRQOYGMMY-UHFFFAOYSA-N -1 0 234.660 1.707 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1C ZINC000253370508 368939669 /nfs/dbraw/zinc/93/96/69/368939669.db2.gz RQWZKMWZZVGNCL-VHSKPIJISA-N -1 0 213.277 1.402 50 0 BDAARM Nc1c(C(=O)[O-])cnc2c(F)cc(F)cc12 ZINC000040162925 181665462 /nfs/dbraw/zinc/66/54/62/181665462.db2.gz VGCFPKQBCPJXMV-UHFFFAOYSA-N -1 0 224.166 1.793 50 0 BDAARM CC1(C)C(=O)NN(c2ccc(C(=O)[O-])cc2)C1=O ZINC000021364944 371405357 /nfs/dbraw/zinc/40/53/57/371405357.db2.gz ARGFWPNEVDQZOW-UHFFFAOYSA-N -1 0 248.238 1.629 50 0 BDAARM Cc1ccc2c(c1)NC(=O)[C@@]([O-])(C(F)(F)F)O2 ZINC000002479695 371556368 /nfs/dbraw/zinc/55/63/68/371556368.db2.gz QZHWAXGLXJUSHJ-VIFPVBQESA-N -1 0 247.172 1.577 50 0 BDAARM CC(=O)n1nc(C(=O)[O-])c2ccccc21 ZINC000039931292 373063351 /nfs/dbraw/zinc/06/33/51/373063351.db2.gz LCKMKKBSJWJMSF-UHFFFAOYSA-N -1 0 204.185 1.395 50 0 BDAARM O=C([O-])C1(NC(=O)C2CCCCCC2)CC1 ZINC000096424769 182088570 /nfs/dbraw/zinc/08/85/70/182088570.db2.gz OGYYWMXISLMCPL-UHFFFAOYSA-N -1 0 225.288 1.690 50 0 BDAARM O=C([O-])C1(NC(=O)c2cccnc2)CCCCC1 ZINC000019485096 182089365 /nfs/dbraw/zinc/08/93/65/182089365.db2.gz RWYOWXIFTVZDHR-UHFFFAOYSA-N -1 0 248.282 1.599 50 0 BDAARM O=C([N-]C[C@@H](O)c1ccccc1)C(F)(F)F ZINC000038003864 182221279 /nfs/dbraw/zinc/22/12/79/182221279.db2.gz FZQBDQGADVTUDJ-MRVPVSSYSA-N -1 0 233.189 1.399 50 0 BDAARM O=C([N-]Cc1ccc2c(c1)OCO2)C(F)(F)F ZINC000000299393 182252339 /nfs/dbraw/zinc/25/23/39/182252339.db2.gz NGNSCJFIZWKKCW-UHFFFAOYSA-N -1 0 247.172 1.594 50 0 BDAARM O=C([N-]Cc1cccs1)C(F)(F)F ZINC000006334837 182263421 /nfs/dbraw/zinc/26/34/21/182263421.db2.gz OURABVDFOPRXPQ-UHFFFAOYSA-N -1 0 209.192 1.927 50 0 BDAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccccc1 ZINC000070522710 182297691 /nfs/dbraw/zinc/29/76/91/182297691.db2.gz ZLMNTMFXXCAMFO-WDEREUQCSA-N -1 0 233.267 1.670 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 ZINC000001767983 182341287 /nfs/dbraw/zinc/34/12/87/182341287.db2.gz ZNRUEEQIUVKKBL-MNOVXSKESA-N -1 0 249.266 1.776 50 0 BDAARM O=C([O-])/C=C/c1ccc2c(c1)OCCO2 ZINC000003887526 182412453 /nfs/dbraw/zinc/41/24/53/182412453.db2.gz KPDOZWMLNDDCDJ-DUXPYHPUSA-N -1 0 206.197 1.556 50 0 biogenic BDAARM O=C([O-])/C=C/[C@H]1COc2ccccc2C1 ZINC000009664683 182410647 /nfs/dbraw/zinc/41/06/47/182410647.db2.gz VRORSHSQJGUNNU-VUHVRTRXSA-N -1 0 204.225 1.879 50 0 BDAARM O=C([O-])/C=C/c1ccc(Br)nc1 ZINC000044547550 182411782 /nfs/dbraw/zinc/41/17/82/182411782.db2.gz MZIMKUQFGDVIID-DUXPYHPUSA-N -1 0 228.045 1.942 50 0 BDAARM O=C([O-])CCCCC[C@@H]1NC(=O)CS1 ZINC000002048658 182437359 /nfs/dbraw/zinc/43/73/59/182437359.db2.gz CSOJYIADHHNGRM-MRVPVSSYSA-N -1 0 217.290 1.211 50 0 in-vitro BDAARM O=C([O-])CCNC(=O)c1c[nH]c2ccccc12 ZINC000019487016 182446677 /nfs/dbraw/zinc/44/66/77/182446677.db2.gz UBZAIAYIGPMTIS-UHFFFAOYSA-N -1 0 232.239 1.372 50 0 BDAARM O=C([O-])CNC(=O)c1ccc(F)cc1Cl ZINC000020284693 182464553 /nfs/dbraw/zinc/46/45/53/182464553.db2.gz NZORQYYPXCALCV-UHFFFAOYSA-N -1 0 231.610 1.294 50 0 BDAARM O=C([O-])CSc1nnnn1C1CCCCC1 ZINC000000179691 182474836 /nfs/dbraw/zinc/47/48/36/182474836.db2.gz SNLAUQZZWULDIQ-UHFFFAOYSA-N -1 0 242.304 1.355 50 0 BDAARM O=C([O-])CSc1cccnc1Cl ZINC000000481408 182473207 /nfs/dbraw/zinc/47/32/07/182473207.db2.gz REAJFILEULHKNI-UHFFFAOYSA-N -1 0 203.650 1.912 50 0 BDAARM O=C([O-])CSc1ncc(Br)cn1 ZINC000011804011 182473864 /nfs/dbraw/zinc/47/38/64/182473864.db2.gz GEFXJQVEMVQMSS-UHFFFAOYSA-N -1 0 249.089 1.416 50 0 BDAARM O=C([O-])CSc1cnc2ccccc2n1 ZINC000000156730 182474177 /nfs/dbraw/zinc/47/41/77/182474177.db2.gz ZBWZEFLYRWANSY-UHFFFAOYSA-N -1 0 220.253 1.807 50 0 BDAARM O=C([O-])Cc1cncc(Br)c1 ZINC000000135689 182493980 /nfs/dbraw/zinc/49/39/80/182493980.db2.gz UETIDNDXXGCJCE-UHFFFAOYSA-N -1 0 216.034 1.471 50 0 BDAARM O=C([O-])[C@@H]1C(=O)NC[C@@H]1C1CCCCC1 ZINC000082953230 182506338 /nfs/dbraw/zinc/50/63/38/182506338.db2.gz IYNGVJHNUWGREC-BDAKNGLRSA-N -1 0 211.261 1.014 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000000236467 182510243 /nfs/dbraw/zinc/51/02/43/182510243.db2.gz ZOLDEFAIBWNKIN-VHSXEESVSA-N -1 0 225.288 1.500 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1ccccc1 ZINC000033435001 182510865 /nfs/dbraw/zinc/51/08/65/182510865.db2.gz WSBOYOYQOJYXMU-LAUAKBEESA-N -1 0 245.278 1.775 50 0 BDAARM O=C([O-])[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cccs1 ZINC000013400557 182523796 /nfs/dbraw/zinc/52/37/96/182523796.db2.gz CVMANSFIKWZMOH-BHNWBGBOSA-N -1 0 237.280 1.293 50 0 BDAARM O=C([O-])[C@@](F)(Br)C(F)(F)F ZINC000012953828 182523856 /nfs/dbraw/zinc/52/38/56/182523856.db2.gz QUWQIQACQOVGDT-REOHCLBHSA-N -1 0 224.935 1.694 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3[nH]ccc3c2)C1 ZINC000067772876 182530998 /nfs/dbraw/zinc/53/09/98/182530998.db2.gz IDYPGAUJWULXKW-VIFPVBQESA-N -1 0 244.250 1.605 50 0 BDAARM O=C([O-])c1ccc(I)o1 ZINC000000105377 182567815 /nfs/dbraw/zinc/56/78/15/182567815.db2.gz UKRYIKCRRFOEOD-UHFFFAOYSA-N -1 0 237.980 1.582 50 0 BDAARM O=C([O-])c1ccc2nc(Cl)cnc2c1 ZINC000096304648 182573512 /nfs/dbraw/zinc/57/35/12/182573512.db2.gz CHSHPICPNSLONM-UHFFFAOYSA-N -1 0 208.604 1.981 50 0 BDAARM O=C([O-])c1cn2nc(Br)sc2n1 ZINC000072482060 182588073 /nfs/dbraw/zinc/58/80/73/182588073.db2.gz WIJRPAZEAZYPEQ-UHFFFAOYSA-N -1 0 248.061 1.252 50 0 BDAARM O=C([O-])c1cnc2sc3ccccc3n2c1=O ZINC000049756782 182590603 /nfs/dbraw/zinc/59/06/03/182590603.db2.gz PIINGSXUWUVNKU-UHFFFAOYSA-N -1 0 246.247 1.607 50 0 BDAARM O=C([O-])c1cccc2c1C(=O)N(C1CC1)C2 ZINC000033313471 182579787 /nfs/dbraw/zinc/57/97/87/182579787.db2.gz CCDQHNCFESKQJK-UHFFFAOYSA-N -1 0 217.224 1.503 50 0 BDAARM O=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000043304661 182596241 /nfs/dbraw/zinc/59/62/41/182596241.db2.gz PJPCFEAMJAQICT-UHFFFAOYSA-N -1 0 247.206 1.811 50 0 BDAARM O=C1[N-]C(=O)C(=CCc2ccccc2)N1 ZINC000012879461 182789400 /nfs/dbraw/zinc/78/94/00/182789400.db2.gz OGOXNNGHEXFLIN-VQHVLOKHSA-N -1 0 202.213 1.793 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)c2cc(Cl)ccc2O1 ZINC000011849046 182774589 /nfs/dbraw/zinc/77/45/89/182774589.db2.gz RJNYIXPGUIVGJT-VIFPVBQESA-N -1 0 226.615 1.758 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000009690946 182774625 /nfs/dbraw/zinc/77/46/25/182774625.db2.gz WQOGWVAXXVNUOX-SSDOTTSWSA-N -1 0 209.176 1.336 50 0 BDAARM CCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000133717045 169097587 /nfs/dbraw/zinc/09/75/87/169097587.db2.gz SCOOWJIBCHYZHL-NXEZZACHSA-N -1 0 225.288 1.356 50 0 BDAARM CCCN(CCC)C(=O)CCC(=O)[O-] ZINC000020205389 169140381 /nfs/dbraw/zinc/14/03/81/169140381.db2.gz VHSXMWPTPBCNHB-UHFFFAOYSA-N -1 0 201.266 1.500 50 0 BDAARM CCCSc1ncc(OC)c(=O)[n-]1 ZINC000003130127 169341867 /nfs/dbraw/zinc/34/18/67/169341867.db2.gz NGGLDCSFONKEDC-UHFFFAOYSA-N -1 0 200.263 1.281 50 0 BDAARM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000036831511 169395870 /nfs/dbraw/zinc/39/58/70/169395870.db2.gz KTTWUNXJQQFZLT-LLVKDONJSA-N -1 0 235.283 1.599 50 0 BDAARM CCC[C@](C)(NC(=O)c1ccoc1)C(=O)[O-] ZINC000036337486 169549252 /nfs/dbraw/zinc/54/92/52/169549252.db2.gz PXESCESKERVOKN-NSHDSACASA-N -1 0 225.244 1.653 50 0 BDAARM C[C@@H]1C[C@H](NC(=O)/C=C/C(=O)[O-])CC(C)(C)C1 ZINC000000096730 383827318 /nfs/dbraw/zinc/82/73/18/383827318.db2.gz VJVRSOGEUWANMN-CFUOYWMPSA-N -1 0 239.315 1.958 50 0 BDAARM Cc1ccnc(NC(=O)CCC(=O)[O-])c1 ZINC000000104017 383826582 /nfs/dbraw/zinc/82/65/82/383826582.db2.gz AZQWEIGFMCBMAO-UHFFFAOYSA-N -1 0 208.217 1.193 50 0 BDAARM COC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000160436 383836002 /nfs/dbraw/zinc/83/60/02/383836002.db2.gz VFNNTVXOZWMVGX-HQJQHLMTSA-N -1 0 214.261 1.687 50 0 biogenic BDAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)CCC1=O ZINC000000187394 383840909 /nfs/dbraw/zinc/84/09/09/383840909.db2.gz DXWXNJRVULDSKE-UHFFFAOYSA-N -1 0 233.223 1.347 50 0 BDAARM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[O-] ZINC000000187624 383842545 /nfs/dbraw/zinc/84/25/45/383842545.db2.gz RXZNSDOUKYEHDZ-MRVPVSSYSA-N -1 0 227.285 1.587 50 0 BDAARM O=C([O-])c1cc2ccc(Cl)cc2nn1 ZINC000066054645 383844596 /nfs/dbraw/zinc/84/45/96/383844596.db2.gz HHBZZSHTYSBCBC-UHFFFAOYSA-N -1 0 208.604 1.981 50 0 BDAARM COc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000266706 383847810 /nfs/dbraw/zinc/84/78/10/383847810.db2.gz GQWNIXGHJLCLCG-SNVBAGLBSA-N -1 0 249.266 1.128 50 0 BDAARM Cc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000277866 383850923 /nfs/dbraw/zinc/85/09/23/383850923.db2.gz HTRWLFRKMUVNPG-VHSXEESVSA-N -1 0 223.297 1.783 50 0 BDAARM O=C([O-])c1ccc(Br)nc1 ZINC000000334031 383855968 /nfs/dbraw/zinc/85/59/68/383855968.db2.gz JDJBRMNTXORYEN-UHFFFAOYSA-N -1 0 202.007 1.542 50 0 in-vitro BDAARM CC(C)Cc1nnc([N-]S(C)(=O)=O)s1 ZINC000000378601 383861083 /nfs/dbraw/zinc/86/10/83/383861083.db2.gz PTZWEQUWMCMDQG-UHFFFAOYSA-N -1 0 235.334 1.108 50 0 BDAARM CC(C)Cc1[nH]nc(C(=O)[O-])c1Cl ZINC000066442649 383864805 /nfs/dbraw/zinc/86/48/05/383864805.db2.gz NJDJIXSDUCXUPY-UHFFFAOYSA-N -1 0 202.641 1.960 50 0 BDAARM O=C([O-])CC1CCN(CC(F)(F)F)CC1 ZINC000035655597 383867173 /nfs/dbraw/zinc/86/71/73/383867173.db2.gz HGCQBESVKCIVOY-UHFFFAOYSA-N -1 0 225.210 1.735 50 0 BDAARM COC(=O)c1cc2ccc(O)cc2oc1=O ZINC000000487431 383872576 /nfs/dbraw/zinc/87/25/76/383872576.db2.gz UDRWUSXZHQTTEN-UHFFFAOYSA-N -1 0 220.180 1.285 50 0 biogenic BDAARM O=C([O-])CCCCNC(=O)c1ccccc1 ZINC000001649284 383914447 /nfs/dbraw/zinc/91/44/47/383914447.db2.gz LAPZULVOGQPDBE-UHFFFAOYSA-N -1 0 221.256 1.671 50 0 BDAARM O=C([O-])CCCCCNC(=O)C(F)(F)F ZINC000001732853 383931656 /nfs/dbraw/zinc/93/16/56/383931656.db2.gz FGUZMCXMRNWZPT-UHFFFAOYSA-N -1 0 227.182 1.310 50 0 in-vitro BDAARM Cc1cc(C(=O)[O-])cc(Br)n1 ZINC000088190215 383884481 /nfs/dbraw/zinc/88/44/81/383884481.db2.gz QGZZJQDQHFJUHC-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM CS(=O)(=O)C=C([O-])c1ccc(F)cc1 ZINC000001402877 383896735 /nfs/dbraw/zinc/89/67/35/383896735.db2.gz WRNGTQAJHRDDIY-UHFFFAOYSA-N -1 0 216.233 1.053 50 0 BDAARM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000036405259 383901142 /nfs/dbraw/zinc/90/11/42/383901142.db2.gz VZHAMECIWIQGRU-RNFRBKRXSA-N -1 0 217.265 1.620 50 0 BDAARM Cc1ccc(CNC(=O)CCCC(=O)[O-])cc1 ZINC000002774149 383987106 /nfs/dbraw/zinc/98/71/06/383987106.db2.gz GHUPXWWKJXJMMF-UHFFFAOYSA-N -1 0 235.283 1.866 50 0 BDAARM O=C([O-])C1(C(=O)NCc2ccccc2F)CC1 ZINC000050290469 383995361 /nfs/dbraw/zinc/99/53/61/383995361.db2.gz AAJKJLDXDAIZIP-UHFFFAOYSA-N -1 0 237.230 1.307 50 0 BDAARM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccccc1 ZINC000068589750 383999406 /nfs/dbraw/zinc/99/94/06/383999406.db2.gz KBBGVLJOPVWVFH-CYBMUJFWSA-N -1 0 233.267 1.766 50 0 BDAARM CCO[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000068577086 383999594 /nfs/dbraw/zinc/99/95/94/383999594.db2.gz NBBIVCFGEMSRSY-YFKPBYRVSA-N -1 0 201.247 1.939 50 0 BDAARM O=C([O-])/C=C/C(=O)Nc1ccc2ncoc2c1 ZINC000002509215 383968835 /nfs/dbraw/zinc/96/88/35/383968835.db2.gz GJGKHXQRSGZBLY-ONEGZZNKSA-N -1 0 232.195 1.407 50 0 BDAARM CC[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002555504 383973282 /nfs/dbraw/zinc/97/32/82/383973282.db2.gz RJCHFHWEJSMOJW-SSDOTTSWSA-N -1 0 217.265 1.764 50 0 BDAARM C[C@](O)(C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000002547745 383973673 /nfs/dbraw/zinc/97/36/73/383973673.db2.gz XFZJIHDLEUDRJM-SECBINFHSA-N -1 0 234.173 1.998 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000002558244 383973892 /nfs/dbraw/zinc/97/38/92/383973892.db2.gz WOUNTSATDZJBLP-SFYZADRCSA-N -1 0 227.260 1.540 50 0 BDAARM O=C([O-])CCc1nnc(C2CCCC2)o1 ZINC000037729168 384003680 /nfs/dbraw/zinc/00/36/80/384003680.db2.gz OELNNBPNPWGWBC-UHFFFAOYSA-N -1 0 210.233 1.744 50 0 BDAARM O=C([O-])Cc1csc(-c2ccccn2)n1 ZINC000003406149 384008058 /nfs/dbraw/zinc/00/80/58/384008058.db2.gz GVNODPPFELQGRH-UHFFFAOYSA-N -1 0 220.253 1.832 50 0 BDAARM O=C([O-])CN1C(=S)N=NC1c1cccs1 ZINC000004206826 384044663 /nfs/dbraw/zinc/04/46/63/384044663.db2.gz KWDQNZLKKJZMEF-UHFFFAOYSA-N -1 0 241.297 1.380 50 0 BDAARM O=C([O-])/C=C\c1cnn(-c2ccccc2)n1 ZINC000090685194 384047321 /nfs/dbraw/zinc/04/73/21/384047321.db2.gz SWDBQUZCLPBXSD-SREVYHEPSA-N -1 0 215.212 1.365 50 0 BDAARM O=C([O-])CCc1nc(-c2ccncc2)no1 ZINC000003882919 384030793 /nfs/dbraw/zinc/03/07/93/384030793.db2.gz QQAOPUYDACUNLY-UHFFFAOYSA-N -1 0 219.200 1.149 50 0 BDAARM Cc1cnn(-c2ccccc2CC(=O)[O-])c1 ZINC000067851088 384056282 /nfs/dbraw/zinc/05/62/82/384056282.db2.gz HGOCYZKGJNDXEB-UHFFFAOYSA-N -1 0 216.240 1.808 50 0 BDAARM Cc1ccc(C)c(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000004724360 384078203 /nfs/dbraw/zinc/07/82/03/384078203.db2.gz DCROVTQLKXLIHL-SNVBAGLBSA-N -1 0 233.267 1.741 50 0 BDAARM O=C([O-])c1ccc2c(c1)C1(CN2)CCOCC1 ZINC000091304707 384118459 /nfs/dbraw/zinc/11/84/59/384118459.db2.gz CNNBNDRSNFMSKE-UHFFFAOYSA-N -1 0 233.267 1.859 50 0 BDAARM O=C([O-])COc1cncc(Br)c1 ZINC000070536028 384116394 /nfs/dbraw/zinc/11/63/94/384116394.db2.gz MIKFGLOWRULNCW-UHFFFAOYSA-N -1 0 232.033 1.308 50 0 BDAARM CCC[C@@H]1CN(c2noc(C)n2)C[C@H]1C(=O)[O-] ZINC000091691026 384138099 /nfs/dbraw/zinc/13/80/99/384138099.db2.gz MVCOMILLLXRUAY-RKDXNWHRSA-N -1 0 239.275 1.315 50 0 BDAARM CC(C)=CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091849154 384150411 /nfs/dbraw/zinc/15/04/11/384150411.db2.gz IXVXNGGYTLJODV-WDEREUQCSA-N -1 0 239.315 1.768 50 0 BDAARM O=C([O-])C[C@H]1CCc2sccc2C1=O ZINC000039039788 384167187 /nfs/dbraw/zinc/16/71/87/384167187.db2.gz SAOLNPJPCPAMSO-ZCFIWIBFSA-N -1 0 210.254 1.968 50 0 BDAARM Cc1cc(C)c2c(=O)[n-]c(=S)nc-2[nH]1 ZINC000006812916 384169626 /nfs/dbraw/zinc/16/96/26/384169626.db2.gz BPJWGHJLUSXUFE-UHFFFAOYSA-N -1 0 207.258 1.224 50 0 BDAARM CC(=O)c1cc2ncc(C(=O)[O-])cc2[nH]1 ZINC000072322425 384205554 /nfs/dbraw/zinc/20/55/54/384205554.db2.gz KRJQHKCVWYITBS-UHFFFAOYSA-N -1 0 204.185 1.464 50 0 BDAARM O=C([O-])C(=O)NCC1(c2ccccc2)CCCC1 ZINC000002998788 384197749 /nfs/dbraw/zinc/19/77/49/384197749.db2.gz ZNHDPWQHMUXSEC-UHFFFAOYSA-N -1 0 247.294 1.699 50 0 BDAARM CC(C)n1cc(Br)c(CC(=O)[O-])n1 ZINC000072209704 384200469 /nfs/dbraw/zinc/20/04/69/384200469.db2.gz HUAMIBVQIPZRTH-UHFFFAOYSA-N -1 0 247.092 1.854 50 0 BDAARM O=C([O-])C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000082791316 384267559 /nfs/dbraw/zinc/26/75/59/384267559.db2.gz NHAMBGXYCJMRMS-UHFFFAOYSA-N -1 0 225.675 1.783 50 0 BDAARM O=C([O-])C[C@@H]1SC2(CCCC2)OC1=O ZINC000034485090 384275251 /nfs/dbraw/zinc/27/52/51/384275251.db2.gz KZPNJNAEUVMDMA-LURJTMIESA-N -1 0 216.258 1.390 50 0 BDAARM Cc1n[n-]c(-c2cccc(Cl)c2)nc1=O ZINC000012336383 384310850 /nfs/dbraw/zinc/31/08/50/384310850.db2.gz GIOYTERLZGIMRA-UHFFFAOYSA-N -1 0 221.647 1.794 50 0 BDAARM O=C([O-])Cn1nc(C(F)F)c2c1CCC2 ZINC000012351646 384312990 /nfs/dbraw/zinc/31/29/90/384312990.db2.gz ZJIPBXQIWJMYGR-UHFFFAOYSA-N -1 0 216.187 1.394 50 0 BDAARM O=C1NC(=S)NC1=Cc1ccc(F)cc1 ZINC000012403089 384316661 /nfs/dbraw/zinc/31/66/61/384316661.db2.gz ISEWJUFUPBFYNZ-YVMONPNESA-N -1 0 222.244 1.171 50 0 BDAARM CC[C@@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000000280935 384301463 /nfs/dbraw/zinc/30/14/63/384301463.db2.gz DYABLFHJCQDJHY-SNVBAGLBSA-N -1 0 221.256 1.209 50 0 BDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccoc1 ZINC000061214989 384353067 /nfs/dbraw/zinc/35/30/67/384353067.db2.gz CATXMSMIINATRU-QMMMGPOBSA-N -1 0 225.244 1.462 50 0 BDAARM O=C([O-])C=C(Br)Br ZINC000013450845 384358957 /nfs/dbraw/zinc/35/89/57/384358957.db2.gz VWWPGQPTCCQNIO-UHFFFAOYSA-N -1 0 229.855 1.702 50 0 BDAARM O=C([O-])CCN(Cc1ccccc1)C(=O)C1CC1 ZINC000013428966 384360244 /nfs/dbraw/zinc/36/02/44/384360244.db2.gz JPIAMODXEPWZRB-UHFFFAOYSA-N -1 0 247.294 1.900 50 0 BDAARM Cc1nc(-n2ccnc2)sc1C(=O)[O-] ZINC000044918557 384364620 /nfs/dbraw/zinc/36/46/20/384364620.db2.gz GJUVOGHFQDCUSZ-UHFFFAOYSA-N -1 0 209.230 1.335 50 0 BDAARM CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000012504818 384323449 /nfs/dbraw/zinc/32/34/49/384323449.db2.gz CZHBKBNENRJYDU-NSHDSACASA-N -1 0 221.256 1.647 50 0 BDAARM O=C([O-])c1cnc(/C=C\c2csnn2)s1 ZINC000336766604 384407761 /nfs/dbraw/zinc/40/77/61/384407761.db2.gz SFUDMIFIOLNEGQ-UPHRSURJSA-N -1 0 239.281 1.863 50 0 BDAARM O=C([O-])c1cnn2c1cccc2Br ZINC000095707324 384390674 /nfs/dbraw/zinc/39/06/74/384390674.db2.gz IUQQUPJRJKYUDO-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM COC1(CC(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000095740501 384391402 /nfs/dbraw/zinc/39/14/02/384391402.db2.gz AJGHLLPKZWAQQI-UHFFFAOYSA-N -1 0 245.275 1.097 50 0 BDAARM COC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000096379199 384455675 /nfs/dbraw/zinc/45/56/75/384455675.db2.gz CRZHMQDANCVLGS-UHFFFAOYSA-N -1 0 233.223 1.323 50 0 BDAARM Cn1c(CC(=O)[O-])nnc1-c1ccccc1 ZINC000047844085 384467984 /nfs/dbraw/zinc/46/79/84/384467984.db2.gz OWMDBRYEFDQYBC-UHFFFAOYSA-N -1 0 217.228 1.109 50 0 BDAARM Cc1cccc2[nH]c(CCC(=O)[O-])nc21 ZINC000019737055 384535700 /nfs/dbraw/zinc/53/57/00/384535700.db2.gz HPIQKIKYAJGDAX-UHFFFAOYSA-N -1 0 204.229 1.889 50 0 BDAARM CC(C)(NC(=O)c1ccncc1Cl)C(=O)[O-] ZINC000085704106 384544428 /nfs/dbraw/zinc/54/44/28/384544428.db2.gz OJUUFOOQAWUMMZ-UHFFFAOYSA-N -1 0 242.662 1.328 50 0 BDAARM C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000019843565 384544519 /nfs/dbraw/zinc/54/45/19/384544519.db2.gz GLMNAEZCOPCAGN-SSDOTTSWSA-N -1 0 232.239 1.371 50 0 BDAARM O=C([O-])CCc1nnc(-c2ccccc2F)o1 ZINC000019780309 384539017 /nfs/dbraw/zinc/53/90/17/384539017.db2.gz IDNMSBSVBXRIKY-UHFFFAOYSA-N -1 0 236.202 1.893 50 0 BDAARM O=C([O-])c1cccn(-c2ccccc2)c1=O ZINC000049815762 384568020 /nfs/dbraw/zinc/56/80/20/384568020.db2.gz IXDWSPYXCCAUAW-UHFFFAOYSA-N -1 0 215.208 1.536 50 0 BDAARM CN1c2ccccc2[C@@H](CCC(=O)[O-])C1=O ZINC000100003258 384606869 /nfs/dbraw/zinc/60/68/69/384606869.db2.gz ULKLMTQSFXIIOR-SECBINFHSA-N -1 0 219.240 1.611 50 0 BDAARM Cc1c(C(=O)[O-])nnn1Cc1cccc(F)c1 ZINC000050215194 384609114 /nfs/dbraw/zinc/60/91/14/384609114.db2.gz SKINLZKUUMTHQE-UHFFFAOYSA-N -1 0 235.218 1.472 50 0 BDAARM O=C([O-])C[C@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000100152227 384621690 /nfs/dbraw/zinc/62/16/90/384621690.db2.gz KCRLPVUNGCRWTF-SSDOTTSWSA-N -1 0 225.631 1.850 50 0 BDAARM Cn1ccc(NC(=O)CC(C)(C)CC(=O)[O-])n1 ZINC000061826465 384667829 /nfs/dbraw/zinc/66/78/29/384667829.db2.gz UQCKYPIVKLPERS-UHFFFAOYSA-N -1 0 239.275 1.250 50 0 BDAARM O=C([O-])c1c[nH]c(=O)n1Cc1ccccc1 ZINC000082326738 384670287 /nfs/dbraw/zinc/67/02/87/384670287.db2.gz JBBLVCUVUFLIOV-UHFFFAOYSA-N -1 0 218.212 1.335 50 0 BDAARM CC(C)(C(=O)[O-])[C@@H](O)c1ccc(O)cc1 ZINC000052267539 384725651 /nfs/dbraw/zinc/72/56/51/384725651.db2.gz FCRPIDBTONMRNW-VIFPVBQESA-N -1 0 210.229 1.536 50 0 BDAARM Cn1nc(-c2cccnc2)cc1C(=O)[O-] ZINC000077606186 384706741 /nfs/dbraw/zinc/70/67/41/384706741.db2.gz HWNNCNZULCEABI-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM O=C([O-])Cc1ccnc(Br)c1 ZINC000021984941 384716014 /nfs/dbraw/zinc/71/60/14/384716014.db2.gz SJFRXYCVLZOAEU-UHFFFAOYSA-N -1 0 216.034 1.471 50 0 BDAARM CCc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000084199335 384760155 /nfs/dbraw/zinc/76/01/55/384760155.db2.gz NYGLNWYIOPVZNO-NEPJUHHUSA-N -1 0 247.294 1.586 50 0 BDAARM O=C([O-])c1ccc(F)nc1C(F)(F)F ZINC000238668915 384769010 /nfs/dbraw/zinc/76/90/10/384769010.db2.gz BTWCHPAPDZBJOO-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM CCc1ccc(S(C)(=O)=O)cc1C(=O)[O-] ZINC000083825309 384801858 /nfs/dbraw/zinc/80/18/58/384801858.db2.gz IQYUYUBXOSBGDU-UHFFFAOYSA-N -1 0 228.269 1.351 50 0 BDAARM O=c1[nH]c2n[n-]c(=S)n2nc1-c1ccccc1 ZINC000026421320 384873584 /nfs/dbraw/zinc/87/35/84/384873584.db2.gz MUXWXPPHGZQDTD-UHFFFAOYSA-N -1 0 245.267 1.181 50 0 BDAARM C/C(=C/C(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC000583652274 384864537 /nfs/dbraw/zinc/86/45/37/384864537.db2.gz IPFBOSOCOPBDAU-HJWRWDBZSA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])c1nnc2ccc(Br)cn21 ZINC000085223473 384928957 /nfs/dbraw/zinc/92/89/57/384928957.db2.gz FEUNUSVOGGZMLE-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000057954774 384974511 /nfs/dbraw/zinc/97/45/11/384974511.db2.gz YAFCYESBJWJEMX-GXSJLCMTSA-N -1 0 237.230 1.430 50 0 BDAARM Cc1nc(C)c(C(=O)NC[C@@H](C)CC(=O)[O-])o1 ZINC000128150368 385004874 /nfs/dbraw/zinc/00/48/74/385004874.db2.gz VFCYEKOXMSFFOF-LURJTMIESA-N -1 0 240.259 1.132 50 0 BDAARM C[C@](O)(CSc1cccc(F)c1)C(=O)[O-] ZINC000087111818 385073972 /nfs/dbraw/zinc/07/39/72/385073972.db2.gz FXKDJQPJFWKUJT-JTQLQIEISA-N -1 0 230.260 1.753 50 0 BDAARM COC(=O)c1cccc(NC(=O)/C=C\C(=O)[O-])c1 ZINC000031817134 385106429 /nfs/dbraw/zinc/10/64/29/385106429.db2.gz QVWDLGPTFFENHU-WAYWQWQTSA-N -1 0 249.222 1.053 50 0 BDAARM O=C([O-])C[C@H](NC(=O)c1cscn1)C1CC1 ZINC000096480314 385217760 /nfs/dbraw/zinc/21/77/60/385217760.db2.gz AOECMTXXDBQPLH-ZETCQYMHSA-N -1 0 240.284 1.126 50 0 BDAARM O=C([O-])c1nc(Br)ccc1O ZINC000064033978 385243237 /nfs/dbraw/zinc/24/32/37/385243237.db2.gz FSFPFQLFCVKWTG-UHFFFAOYSA-N -1 0 218.006 1.248 50 0 BDAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)C=CC1=O ZINC000000135983 385253411 /nfs/dbraw/zinc/25/34/11/385253411.db2.gz NSFHSBDEVFVSKX-UHFFFAOYSA-N -1 0 231.207 1.123 50 0 BDAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC000213383975 385476643 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/nfs/dbraw/zinc/01/27/36/174012736.db2.gz LZQYAYALNIMEFX-SECBINFHSA-N -1 0 248.234 1.444 50 0 BDAARM COCCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000036379658 174135481 /nfs/dbraw/zinc/13/54/81/174135481.db2.gz AVABAPDGUXETSR-UHFFFAOYSA-N -1 0 241.218 1.499 50 0 BDAARM COCCOc1cccc(CC(=O)[O-])c1 ZINC000048806073 174370020 /nfs/dbraw/zinc/37/00/20/174370020.db2.gz HKYOIHOUDNWCTD-UHFFFAOYSA-N -1 0 210.229 1.339 50 0 BDAARM CON(CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000002526762 174661212 /nfs/dbraw/zinc/66/12/12/174661212.db2.gz UIRKPSPBQPPPFX-UHFFFAOYSA-N -1 0 219.237 1.260 50 0 BDAARM COc1cc(CCC(=O)[O-])cc(OC)c1OC ZINC000000073032 174977459 /nfs/dbraw/zinc/97/74/59/174977459.db2.gz ZCYXGVJUZBKJAI-UHFFFAOYSA-N -1 0 240.255 1.730 50 0 endogenous,in-man BDAARM COc1cc(N)c([S-])cc1NC(C)=O ZINC000062721340 174996292 /nfs/dbraw/zinc/99/62/92/174996292.db2.gz JEMHLNFDDQAVJG-UHFFFAOYSA-N -1 0 212.274 1.525 50 0 BDAARM COc1cc(OC2CC2)ccc1C(=O)[O-] ZINC000095728466 175012234 /nfs/dbraw/zinc/01/22/34/175012234.db2.gz MXAPSYLSINFFFR-UHFFFAOYSA-N -1 0 208.213 1.935 50 0 BDAARM COc1cc2ncc(C(=O)[O-])c(O)c2cc1OC ZINC000032500187 175028405 /nfs/dbraw/zinc/02/84/05/175028405.db2.gz OHEYCDPOWKNXLX-UHFFFAOYSA-N -1 0 249.222 1.656 50 0 biogenic BDAARM COc1ccc(C2=NO[C@H](CC(=O)[O-])C2)cc1 ZINC000034521851 175085515 /nfs/dbraw/zinc/08/55/15/175085515.db2.gz CFZUPCFKZGJDQX-JTQLQIEISA-N -1 0 235.239 1.663 50 0 BDAARM COc1ccc(CCC(=O)[O-])c(OC)c1 ZINC000000404922 175088340 /nfs/dbraw/zinc/08/83/40/175088340.db2.gz NVDCWSFMCUWKAL-UHFFFAOYSA-N -1 0 210.229 1.721 50 0 BDAARM COc1ccc([C@@H](O)CCC(=O)[O-])cc1C ZINC000006678495 175180514 /nfs/dbraw/zinc/18/05/14/175180514.db2.gz MEJXHSLFFRKQGX-JTQLQIEISA-N -1 0 224.256 1.902 50 0 BDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC000012398977 175182143 /nfs/dbraw/zinc/18/21/43/175182143.db2.gz ICBZRFUYAIZNTN-JTQLQIEISA-N -1 0 221.212 1.597 50 0 BDAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000138418 175186053 /nfs/dbraw/zinc/18/60/53/175186053.db2.gz ZQRSXNJVEHLFCE-VHSXEESVSA-N -1 0 239.296 1.483 50 0 BDAARM COc1ccc([C@H](O)CCC(=O)[O-])cc1C ZINC000006678493 175193421 /nfs/dbraw/zinc/19/34/21/175193421.db2.gz MEJXHSLFFRKQGX-SNVBAGLBSA-N -1 0 224.256 1.902 50 0 BDAARM COc1ccc2c(C(=O)[O-])cc(OC)nc2n1 ZINC000253401827 175203778 /nfs/dbraw/zinc/20/37/78/175203778.db2.gz NNVOEYVTENZLRA-UHFFFAOYSA-N -1 0 234.211 1.345 50 0 BDAARM COc1ccc2c(c1)[C@@H](C(=O)[O-])CC2=O ZINC000003631474 175213537 /nfs/dbraw/zinc/21/35/37/175213537.db2.gz RQQOLRQCNYYVOL-VIFPVBQESA-N -1 0 206.197 1.450 50 0 BDAARM COc1cccc(-c2nnc(CC(=O)[O-])o2)c1 ZINC000020222901 175237782 /nfs/dbraw/zinc/23/77/82/175237782.db2.gz CMNRQDCKHTZJHV-UHFFFAOYSA-N -1 0 234.211 1.372 50 0 BDAARM COc1cccc(C(=O)C[C@@H](C)C(=O)[O-])c1 ZINC000002539844 175242559 /nfs/dbraw/zinc/24/25/59/175242559.db2.gz KZINHCSTSGEFRE-MRVPVSSYSA-N -1 0 222.240 1.989 50 0 BDAARM COc1cccc2ncc(C(=O)[O-])cc21 ZINC000059870799 175307640 /nfs/dbraw/zinc/30/76/40/175307640.db2.gz IQTWNFKXMYNHOP-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 BDAARM COc1ccccc1NC(C)(C)C(=O)[O-] ZINC000004244812 175336579 /nfs/dbraw/zinc/33/65/79/175336579.db2.gz UZHWAXFPZBAHMZ-UHFFFAOYSA-N -1 0 209.245 1.970 50 0 BDAARM COc1ccn2c(c1)nc(C)c2C(=O)[O-] ZINC000071255657 175357340 /nfs/dbraw/zinc/35/73/40/175357340.db2.gz GIDOLPFINYLKPM-UHFFFAOYSA-N -1 0 206.201 1.350 50 0 BDAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCCCCC1 ZINC000004700528 175643389 /nfs/dbraw/zinc/64/33/89/175643389.db2.gz IDOJCBYGDJZXFQ-SNVBAGLBSA-N -1 0 227.304 1.890 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccccc1 ZINC000095970360 175772743 /nfs/dbraw/zinc/77/27/43/175772743.db2.gz SZKJSCXJBNZRNA-WDEREUQCSA-N -1 0 249.310 1.845 50 0 BDAARM C[C@@H](SCCc1ccncc1)C(=O)[O-] ZINC000006571172 176008219 /nfs/dbraw/zinc/00/82/19/176008219.db2.gz LGYLJQDADOUQHJ-MRVPVSSYSA-N -1 0 211.286 1.830 50 0 in-vitro BDAARM C[C@H](C(=O)NCCCC(=O)[O-])c1ccsc1 ZINC000123505738 176570854 /nfs/dbraw/zinc/57/08/54/176570854.db2.gz YUHSDTFAYRWBTB-QMMMGPOBSA-N -1 0 241.312 1.833 50 0 BDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000242191301 176582782 /nfs/dbraw/zinc/58/27/82/176582782.db2.gz XENHMTYDWHZUSZ-MIMYLULJSA-N -1 0 248.282 1.117 50 0 BDAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000111754255 176815164 /nfs/dbraw/zinc/81/51/64/176815164.db2.gz FNTNSZPLICLPHV-INTQDDNPSA-N -1 0 233.267 1.585 50 0 BDAARM C[C@H](SC(=S)N1CCCC1)C(=O)[O-] ZINC000000241110 177025919 /nfs/dbraw/zinc/02/59/19/177025919.db2.gz HKLKLWSFCZPILB-LURJTMIESA-N -1 0 219.331 1.573 50 0 BDAARM C[C@H](c1ccco1)N(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262580696 177047053 /nfs/dbraw/zinc/04/70/53/177047053.db2.gz FNHDGYKMKZFUKI-VGMNWLOBSA-N -1 0 237.255 1.520 50 0 BDAARM C[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000005920701 177062082 /nfs/dbraw/zinc/06/20/82/177062082.db2.gz NGTUAZVXHJBAKJ-ZETCQYMHSA-N -1 0 233.223 1.284 50 0 BDAARM C[C@H]1CCc2[nH]c(=O)c(C(=O)[O-])cc2C1 ZINC000043404556 177208506 /nfs/dbraw/zinc/20/85/06/177208506.db2.gz ZUFHBIONPYXSHS-LURJTMIESA-N -1 0 207.229 1.198 50 0 BDAARM C[C@H]1C[C@H](C(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000004657270 177355039 /nfs/dbraw/zinc/35/50/39/177355039.db2.gz QRBDCVYZAXZQLN-UJURSFKZSA-N -1 0 231.202 1.592 50 0 BDAARM C[C@H]1[C@H](C(=O)[O-])CCN1c1ccccc1 ZINC000096300638 177424020 /nfs/dbraw/zinc/42/40/20/177424020.db2.gz NHNOUTFQKIQWLT-GXSJLCMTSA-N -1 0 205.257 1.986 50 0 BDAARM C[C@]1(C(=O)[O-])Cc2ccc(Cl)cc2C(=O)O1 ZINC000008768967 177457851 /nfs/dbraw/zinc/45/78/51/177457851.db2.gz WFXUUYPOUZBRTH-LLVKDONJSA-N -1 0 240.642 1.896 50 0 BDAARM Cc1cc(C(=O)[O-])c(C)n1-c1ncccn1 ZINC000019414015 487659090 /nfs/dbraw/zinc/65/90/90/487659090.db2.gz DLOYVGILSMWXGH-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000001731343 487942690 /nfs/dbraw/zinc/94/26/90/487942690.db2.gz SOPMURVETPAMPO-UHFFFAOYSA-N -1 0 207.229 1.120 50 0 BDAARM C[C@@H](Oc1ccccc1-c1cn[nH]c1)C(=O)[O-] ZINC000534581215 323153824 /nfs/dbraw/zinc/15/38/24/323153824.db2.gz HAPZHKFXJAUKHC-MRVPVSSYSA-N -1 0 232.239 1.929 50 0 BDAARM COc1cccc(F)c1-c1cncc(C(=O)[O-])n1 ZINC000534629937 323156608 /nfs/dbraw/zinc/15/66/08/323156608.db2.gz MRQIQWCPZGWAFU-UHFFFAOYSA-N -1 0 248.213 1.990 50 0 BDAARM Cn1ncc(-c2cccc(CO)c2)c1C(=O)[O-] ZINC000534633592 323156850 /nfs/dbraw/zinc/15/68/50/323156850.db2.gz VFHBIFJDXIHDFH-UHFFFAOYSA-N -1 0 232.239 1.278 50 0 BDAARM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cc[nH]n1 ZINC000257684428 323172457 /nfs/dbraw/zinc/17/24/57/323172457.db2.gz RBJRKUDYIFAWSW-NSHDSACASA-N -1 0 237.303 1.629 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)[O-])C1 ZINC000258147867 323947894 /nfs/dbraw/zinc/94/78/94/323947894.db2.gz ZTDXVQFLZHPSJK-JGVFFNPUSA-N -1 0 247.266 1.666 50 0 BDAARM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccsc1 ZINC000044611668 488004420 /nfs/dbraw/zinc/00/44/20/488004420.db2.gz ALKGOQWAQFGOEH-QMMMGPOBSA-N -1 0 227.285 1.683 50 0 BDAARM O=C([O-])c1ccnc(-n2cnc(Cl)n2)c1 ZINC000407947220 526399797 /nfs/dbraw/zinc/39/97/97/526399797.db2.gz DVEFJLNQCXRVAH-UHFFFAOYSA-N -1 0 224.607 1.014 50 0 BDAARM O=C([O-])Cn1cnc2c(Cl)cccc2c1=O ZINC000229005613 527642662 /nfs/dbraw/zinc/64/26/62/527642662.db2.gz DDJCWPUPYBKHKV-UHFFFAOYSA-N -1 0 238.630 1.135 50 0 BDAARM CC(C)[C@H](NC(=O)c1ccco1)C(=O)[O-] ZINC000000185619 529115841 /nfs/dbraw/zinc/11/58/41/529115841.db2.gz SGPKMOKGOBWXPC-QMMMGPOBSA-N -1 0 211.217 1.119 50 0 BDAARM CC(C)[C@H](NC(=O)c1cccs1)C(=O)[O-] ZINC000000187620 529116205 /nfs/dbraw/zinc/11/62/05/529116205.db2.gz RXZNSDOUKYEHDZ-QMMMGPOBSA-N -1 0 227.285 1.587 50 0 BDAARM O=Cc1ccc(-c2ccc(C(=O)[O-])o2)nc1 ZINC000725260987 566308059 /nfs/dbraw/zinc/30/80/59/566308059.db2.gz DDJRPEQEENMNBR-UHFFFAOYSA-N -1 0 217.180 1.852 50 0 BDAARM COc1cc(C)c([S@@](=O)[O-])cc1C ZINC000071508017 582676574 /nfs/dbraw/zinc/67/65/74/582676574.db2.gz KMEYZZUIWHPWKU-UHFFFAOYSA-N -1 0 200.259 1.893 50 0 BDAARM CC(C)CC(=O)Nc1ncc(C(=O)[O-])s1 ZINC000147837412 583770561 /nfs/dbraw/zinc/77/05/61/583770561.db2.gz CZBHFEBUWXPVIF-UHFFFAOYSA-N -1 0 228.273 1.826 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc3[nH]ccc3c2)C1 ZINC000067772875 636798878 /nfs/dbraw/zinc/79/88/78/636798878.db2.gz IDYPGAUJWULXKW-SECBINFHSA-N -1 0 244.250 1.605 50 0 BDAARM COc1cccc(C)c1C(=O)N1CC(C(=O)[O-])C1 ZINC000952972099 644445260 /nfs/dbraw/zinc/44/52/60/644445260.db2.gz ZJOHNNOONGZPLA-UHFFFAOYSA-N -1 0 249.266 1.160 50 0 BDAARM CC1(C)CCC[N@@H+]([C@@H](CCC(=O)[O-])C(=O)[O-])C1 ZINC000952847863 974049598 /nfs/dbraw/zinc/04/95/98/974049598.db2.gz PFJIBIBGWLQXPX-VIFPVBQESA-N -1 0 243.303 1.426 50 0 BDAARM Cc1ccc(S(C)(=O)=O)c(C(=O)[O-])c1 ZINC000071453701 398151013 /nfs/dbraw/zinc/15/10/13/398151013.db2.gz BUZCPQBRJOCXPK-UHFFFAOYSA-N -1 0 214.242 1.097 50 0 BDAARM O=S(=O)([O-])CCOc1ccccc1F ZINC000072424491 398180437 /nfs/dbraw/zinc/18/04/37/398180437.db2.gz RGEGHUQRLXEHTO-UHFFFAOYSA-N -1 0 220.221 1.092 50 0 BDAARM Cc1cc(F)cc(C(=O)NC2(C(=O)[O-])CC2)c1 ZINC000097036272 178076249 /nfs/dbraw/zinc/07/62/49/178076249.db2.gz YCONSFCBJFEUOJ-UHFFFAOYSA-N -1 0 237.230 1.481 50 0 BDAARM Cc1cc(N)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000000273439 178108403 /nfs/dbraw/zinc/10/84/03/178108403.db2.gz DNROOKGPZRAQNG-UHFFFAOYSA-N -1 0 217.228 1.461 50 0 BDAARM Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)no1 ZINC000061721968 178147094 /nfs/dbraw/zinc/14/70/94/178147094.db2.gz PNYZQYRRJNZCSF-YUMQZZPRSA-N -1 0 238.243 1.278 50 0 BDAARM Cc1cc(=O)n2nc(NC(=O)CC(C)C)[n-]c2n1 ZINC000018219974 178201946 /nfs/dbraw/zinc/20/19/46/178201946.db2.gz YPNUZTNNYWOVIF-UHFFFAOYSA-N -1 0 249.274 1.123 50 0 BDAARM Cc1cc2c(cc1CC(=O)[O-])OCCO2 ZINC000082594496 178288969 /nfs/dbraw/zinc/28/89/69/178288969.db2.gz YJFGXNYFYALAFL-UHFFFAOYSA-N -1 0 208.213 1.393 50 0 BDAARM Cc1cc2nc(C)c(=O)n(CC(=O)[O-])c2cc1C ZINC000045795927 178300757 /nfs/dbraw/zinc/30/07/57/178300757.db2.gz WQYOCDXAHYBJPX-UHFFFAOYSA-N -1 0 246.266 1.406 50 0 BDAARM Cc1nn(-c2ccc(C)cc2C)nc1C(=O)[O-] ZINC000003416001 178348701 /nfs/dbraw/zinc/34/87/01/178348701.db2.gz GLJDLAQFRVFTBM-UHFFFAOYSA-N -1 0 231.255 1.891 50 0 BDAARM Cc1ccc(C(=O)N(C)CCCC(=O)[O-])cn1 ZINC000036925020 178377070 /nfs/dbraw/zinc/37/70/70/178377070.db2.gz CMQSHQDJJMAMTM-UHFFFAOYSA-N -1 0 236.271 1.327 50 0 BDAARM COc1cc(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000045929923 346849834 /nfs/dbraw/zinc/84/98/34/346849834.db2.gz FIYBHJRHNIWWLU-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM Cc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2=O ZINC000000086368 342673779 /nfs/dbraw/zinc/67/37/79/342673779.db2.gz AWBOQSIIXFLDPI-UHFFFAOYSA-N -1 0 233.223 1.066 50 0 BDAARM Cc1cc(C)cc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000000112610 342675028 /nfs/dbraw/zinc/67/50/28/342675028.db2.gz ZVYUEYJQRCOJDI-JTQLQIEISA-N -1 0 233.267 1.741 50 0 BDAARM Cn1cc(C(=O)[O-])c(=O)c2ccccc21 ZINC000000121083 342675401 /nfs/dbraw/zinc/67/54/01/342675401.db2.gz WBHKMAPRABNYBR-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 biogenic BDAARM CSc1ncc(Cl)c(C(=O)[O-])n1 ZINC000000133171 342676399 /nfs/dbraw/zinc/67/63/99/342676399.db2.gz SEPCYCDQJZTPHO-UHFFFAOYSA-N -1 0 204.638 1.550 50 0 BDAARM CCc1ccnc(NC(=O)CCCC(=O)[O-])c1 ZINC000000151207 342677357 /nfs/dbraw/zinc/67/73/57/342677357.db2.gz POUJCLJSPKEHQX-UHFFFAOYSA-N -1 0 236.271 1.837 50 0 BDAARM Cc1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000000158815 342677917 /nfs/dbraw/zinc/67/79/17/342677917.db2.gz USSMIQWDLWJQDQ-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 in-vitro BDAARM COC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000160438 342678483 /nfs/dbraw/zinc/67/84/83/342678483.db2.gz VFNNTVXOZWMVGX-CPCISQLKSA-N -1 0 214.261 1.687 50 0 biogenic BDAARM C[C@H](Cn1nnc2ccccc21)C(=O)[O-] ZINC000000192750 342679623 /nfs/dbraw/zinc/67/96/23/342679623.db2.gz DQDZZJOQSXHOES-SSDOTTSWSA-N -1 0 205.217 1.152 50 0 BDAARM O=C([O-])c1cc(=O)c2cc(F)ccc2o1 ZINC000000404055 342686728 /nfs/dbraw/zinc/68/67/28/342686728.db2.gz JZJYDFADRMBXAW-UHFFFAOYSA-N -1 0 208.144 1.630 50 0 BDAARM CC(C)C(=O)Nc1ccccc1C(=O)[O-] ZINC000000450496 342687715 /nfs/dbraw/zinc/68/77/15/342687715.db2.gz MDNWGZNJNJKROK-UHFFFAOYSA-N -1 0 207.229 1.979 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NC1CCCC1 ZINC000000461597 342687918 /nfs/dbraw/zinc/68/79/18/342687918.db2.gz PRMUOGGTHSUYAC-GHMZBOCLSA-N -1 0 239.315 1.936 50 0 BDAARM O=C([O-])[C@H](O)Cc1c[nH]c2ccccc12 ZINC000000039099 342670676 /nfs/dbraw/zinc/67/06/76/342670676.db2.gz XGILAAMKEQUXLS-SNVBAGLBSA-N -1 0 205.213 1.156 50 0 endogenous,in-man BDAARM Cn1c(/C=C/C(=O)[O-])nc2ccccc21 ZINC000000053765 342671711 /nfs/dbraw/zinc/67/17/11/342671711.db2.gz MFJCQRHGLKEFEG-VOTSOKGWSA-N -1 0 202.213 1.671 50 0 BDAARM O=C([O-])c1ccc(-n2cnnn2)cc1Cl ZINC000000612415 342690951 /nfs/dbraw/zinc/69/09/51/342690951.db2.gz CYYPBOXVGUOKCD-UHFFFAOYSA-N -1 0 224.607 1.014 50 0 BDAARM O=C([O-])[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000000819002 342693390 /nfs/dbraw/zinc/69/33/90/342693390.db2.gz PBZBMHSUDXPYCP-SECBINFHSA-N -1 0 209.176 1.403 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H]1C(=O)[O-] ZINC000002379466 342719382 /nfs/dbraw/zinc/71/93/82/342719382.db2.gz JWJVSDZKYYXDDN-LURJTMIESA-N -1 0 201.222 1.080 50 0 BDAARM Nc1ccc(S(=O)(=O)[O-])c2cccc(O)c12 ZINC000001683638 342708930 /nfs/dbraw/zinc/70/89/30/342708930.db2.gz LRDIEHDJWYRVPT-UHFFFAOYSA-N -1 0 239.252 1.374 50 0 BDAARM Cc1cc(C)n(CCSCC(=O)[O-])n1 ZINC000002388649 342719814 /nfs/dbraw/zinc/71/98/14/342719814.db2.gz ZHSAXATXLOTZEP-UHFFFAOYSA-N -1 0 214.290 1.318 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1-n1ccnc1 ZINC000004136894 342743052 /nfs/dbraw/zinc/74/30/52/342743052.db2.gz TXCNVIYJPLBKEW-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM Cc1cccc(C2N=NC(=S)N2CC(=O)[O-])c1 ZINC000004206824 342744312 /nfs/dbraw/zinc/74/43/12/342744312.db2.gz YYPRYQCPRHKYAZ-UHFFFAOYSA-N -1 0 249.295 1.627 50 0 BDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccco1 ZINC000004218845 342744461 /nfs/dbraw/zinc/74/44/61/342744461.db2.gz TUMPYVWHXLSDJY-IONNQARKSA-N -1 0 241.268 1.327 50 0 BDAARM O=C([O-])c1ccccc1N1CCCC1=O ZINC000004218225 342744649 /nfs/dbraw/zinc/74/46/49/342744649.db2.gz WMLRBQWYIZGVMF-UHFFFAOYSA-N -1 0 205.213 1.512 50 0 BDAARM CCCCCCN1C[C@H](C(=O)[O-])CC1=O ZINC000004237846 342745071 /nfs/dbraw/zinc/74/50/71/342745071.db2.gz VHKDTUOUWLJSJT-SECBINFHSA-N -1 0 213.277 1.500 50 0 BDAARM O=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000004244835 342745481 /nfs/dbraw/zinc/74/54/81/342745481.db2.gz FDNYHBASQZFVBL-UHFFFAOYSA-N -1 0 206.176 1.914 50 0 BDAARM O=C([O-])c1cc(-c2cccc(O)c2)[nH]n1 ZINC000004262669 342745696 /nfs/dbraw/zinc/74/56/96/342745696.db2.gz KOWRVFWZCLHEIU-UHFFFAOYSA-N -1 0 204.185 1.481 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1NC[C@@H]1CCCO1 ZINC000004535819 342748847 /nfs/dbraw/zinc/74/88/47/342748847.db2.gz NOQZJPNPEJXAFH-VIFPVBQESA-N -1 0 236.271 1.558 50 0 BDAARM O=C([O-])[C@@H](O)c1ccc(Br)cc1F ZINC000002511049 342721736 /nfs/dbraw/zinc/72/17/36/342721736.db2.gz FAMRTHHQYMFCBD-ZETCQYMHSA-N -1 0 249.035 1.706 50 0 BDAARM C[C@H](C(=O)[O-])n1cc(N)c(C(F)(F)F)n1 ZINC000002537435 342723285 /nfs/dbraw/zinc/72/32/85/342723285.db2.gz UVRYYASDOMPGLU-GSVOUGTGSA-N -1 0 223.154 1.130 50 0 BDAARM CCCn1ncc(Br)c1C(=O)[O-] ZINC000002537969 342723380 /nfs/dbraw/zinc/72/33/80/342723380.db2.gz QOCXHKFQTVHNJS-UHFFFAOYSA-N -1 0 233.065 1.754 50 0 BDAARM C[C@H](CCc1ccccc1)NC(=O)CCC(=O)[O-] ZINC000002871210 342727585 /nfs/dbraw/zinc/72/75/85/342727585.db2.gz QBHPCIWSMMDBAD-LLVKDONJSA-N -1 0 249.310 1.989 50 0 BDAARM CC1(C)S[C@H](c2cccnc2)N[C@H]1C(=O)[O-] ZINC000003135680 342730759 /nfs/dbraw/zinc/73/07/59/342730759.db2.gz WFIBNIODPWJRHK-DTWKUNHWSA-N -1 0 238.312 1.648 50 0 BDAARM CCS(=O)(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000003252141 342731811 /nfs/dbraw/zinc/73/18/11/342731811.db2.gz NGYFZFOTGFAZBR-UHFFFAOYSA-N -1 0 243.309 1.910 50 0 BDAARM CCc1[nH]c(C(=O)[O-])c(C)c1C(=O)OC ZINC000003330794 342732722 /nfs/dbraw/zinc/73/27/22/342732722.db2.gz USHDUEUJFBPDNZ-UHFFFAOYSA-N -1 0 211.217 1.370 50 0 BDAARM O=C([O-])c1cncn1-c1ccc(F)cc1 ZINC000003356938 342732897 /nfs/dbraw/zinc/73/28/97/342732897.db2.gz FNLCJIQJPGSGMV-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM CN1C(=O)NC(=O)[C@](C)(C2=CCCCC2)C1=O ZINC000003830910 342737843 /nfs/dbraw/zinc/73/78/43/342737843.db2.gz UYXAWHWODHRRMR-LBPRGKRZSA-N -1 0 236.271 1.201 50 0 world BDAARM O=C([O-])c1ccc2c(c1)NC(=O)[C@H]1CCCN21 ZINC000003888683 342739110 /nfs/dbraw/zinc/73/91/10/342739110.db2.gz ILCIRRSQEUVMSA-SNVBAGLBSA-N -1 0 232.239 1.306 50 0 biogenic BDAARM O=C([O-])c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 ZINC000003888684 342739219 /nfs/dbraw/zinc/73/92/19/342739219.db2.gz ILCIRRSQEUVMSA-JTQLQIEISA-N -1 0 232.239 1.306 50 0 biogenic BDAARM CC(C)c1cc(=O)[nH]c(S[C@@H](C)C(=O)[O-])n1 ZINC000004943274 342754684 /nfs/dbraw/zinc/75/46/84/342754684.db2.gz RXYWHDHZEVZLCP-LURJTMIESA-N -1 0 242.300 1.459 50 0 BDAARM Cc1c(C)[n+]([O-])cn1[C@H](CC(C)C)C(=O)[O-] ZINC000005031270 342756866 /nfs/dbraw/zinc/75/68/66/342756866.db2.gz BBAGWYXCCVYCHR-SNVBAGLBSA-N -1 0 226.276 1.410 50 0 BDAARM Cc1c(C)[n+]([O-])cn1[C@@H](CC(C)C)C(=O)[O-] ZINC000005031267 342756895 /nfs/dbraw/zinc/75/68/95/342756895.db2.gz BBAGWYXCCVYCHR-JTQLQIEISA-N -1 0 226.276 1.410 50 0 BDAARM C=C(C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000005158166 342759137 /nfs/dbraw/zinc/75/91/37/342759137.db2.gz XEYLAWVXYZUVDD-UHFFFAOYSA-N -1 0 221.212 1.605 50 0 BDAARM Cc1ccc2nc3[n-]c(NN)nnc-3c2c1 ZINC000005730663 342769235 /nfs/dbraw/zinc/76/92/35/342769235.db2.gz QNIGVTNBJSLTIS-UHFFFAOYSA-N -1 0 214.232 1.100 50 0 BDAARM O=C1CCCCCN1Cc1n[n-]c(=S)o1 ZINC000006502939 342778740 /nfs/dbraw/zinc/77/87/40/342778740.db2.gz FRNUPZXKVBWLIM-UHFFFAOYSA-N -1 0 227.289 1.261 50 0 BDAARM O=C([O-])c1ccc(CSc2nc[nH]n2)cc1 ZINC000006492338 342778655 /nfs/dbraw/zinc/77/86/55/342778655.db2.gz DJNSBDVLCREAQV-UHFFFAOYSA-N -1 0 235.268 1.795 50 0 BDAARM Cc1ccc(N2CC[C@@H](C(=O)[O-])C2=O)cc1C ZINC000011890867 342844383 /nfs/dbraw/zinc/84/43/83/342844383.db2.gz XDTJOZZZMUUAAV-LLVKDONJSA-N -1 0 233.267 1.741 50 0 BDAARM Cn1nc(-c2cccs2)cc1C(=O)[O-] ZINC000012370339 342850383 /nfs/dbraw/zinc/85/03/83/342850383.db2.gz YSTOGMCNCZGBTG-UHFFFAOYSA-N -1 0 208.242 1.847 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000011891416 342844274 /nfs/dbraw/zinc/84/42/74/342844274.db2.gz UBUKOZDYHYWYOU-JTQLQIEISA-N -1 0 234.255 1.018 50 0 BDAARM O=C([O-])[C@@H](O)c1ccccc1Br ZINC000012954308 342861951 /nfs/dbraw/zinc/86/19/51/342861951.db2.gz YBNMJUAXERDNRJ-ZETCQYMHSA-N -1 0 231.045 1.567 50 0 BDAARM O=C([O-])[C@H](O)c1ccccc1Br ZINC000012954304 342861954 /nfs/dbraw/zinc/86/19/54/342861954.db2.gz YBNMJUAXERDNRJ-SSDOTTSWSA-N -1 0 231.045 1.567 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc3cc[nH]c3c2)C1 ZINC000013577477 342867987 /nfs/dbraw/zinc/86/79/87/342867987.db2.gz KYDHSFNGKIUPDF-SECBINFHSA-N -1 0 244.250 1.605 50 0 BDAARM CCCc1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000013624654 342868743 /nfs/dbraw/zinc/86/87/43/342868743.db2.gz LVDHOVQRZCHBBX-UHFFFAOYSA-N -1 0 218.260 1.271 50 0 BDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000013727325 342870997 /nfs/dbraw/zinc/87/09/97/342870997.db2.gz OWKGDEDCXQCCSO-KOLCDFICSA-N -1 0 219.240 1.291 50 0 BDAARM C[C@@H](SCC(=O)N[C@@H](C)C1CC1)C(=O)[O-] ZINC000032745097 342872510 /nfs/dbraw/zinc/87/25/10/342872510.db2.gz YHLIVGODCRZVBC-NKWVEPMBSA-N -1 0 231.317 1.107 50 0 BDAARM O=C([O-])c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC000012769439 342857765 /nfs/dbraw/zinc/85/77/65/342857765.db2.gz JUQDBOUNSCDHRS-UHFFFAOYSA-N -1 0 247.128 1.838 50 0 BDAARM C[C@]12CCC(=O)[C@H](CCC(=O)[O-])[C@H]1CCC2=O ZINC000101368898 398319076 /nfs/dbraw/zinc/31/90/76/398319076.db2.gz PCCFNLPWOFTZPJ-KKFJDGPESA-N -1 0 238.283 1.816 50 0 BDAARM CCSc1ncc(/C=C/C(=O)[O-])cn1 ZINC000014608595 342882664 /nfs/dbraw/zinc/88/26/64/342882664.db2.gz PUALAWUDGDHFPC-ONEGZZNKSA-N -1 0 210.258 1.686 50 0 BDAARM Cc1nccn1Cc1c(C)onc1C(=O)[O-] ZINC000016943893 342917578 /nfs/dbraw/zinc/91/75/78/342917578.db2.gz CFTZBFPJWBSJKY-UHFFFAOYSA-N -1 0 221.216 1.234 50 0 BDAARM O=C([O-])CSCCC(=O)Nc1ccccc1 ZINC000037415480 342930983 /nfs/dbraw/zinc/93/09/83/342930983.db2.gz JXSBMGGKWSPFEM-UHFFFAOYSA-N -1 0 239.296 1.833 50 0 BDAARM O=C([O-])c1cnc(Nc2ccccc2)nc1 ZINC000019091367 342941349 /nfs/dbraw/zinc/94/13/49/342941349.db2.gz ZPIYMRAJXNMUPE-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM O=C([O-])Cn1cc(NC(=O)[C@@H]2CC=CCC2)cn1 ZINC000038029782 398335828 /nfs/dbraw/zinc/33/58/28/398335828.db2.gz FYQIQATVWHRLTC-SECBINFHSA-N -1 0 249.270 1.263 50 0 BDAARM CC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000000499499 346898693 /nfs/dbraw/zinc/89/86/93/346898693.db2.gz HOQRDQRNVPZZOZ-NSHDSACASA-N -1 0 249.310 1.845 50 0 BDAARM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000019506179 342950118 /nfs/dbraw/zinc/95/01/18/342950118.db2.gz ZVKYKDYNVWTJKF-SSDOTTSWSA-N -1 0 231.317 1.409 50 0 BDAARM O=C([O-])c1cc(-c2cccs2)nc(=O)[nH]1 ZINC000019702640 342954219 /nfs/dbraw/zinc/95/42/19/342954219.db2.gz PCBIJYOLICKSPU-UHFFFAOYSA-N -1 0 222.225 1.197 50 0 BDAARM Cc1[nH]c2ccccc2c1C(=O)C(=O)[O-] ZINC000019725721 342954955 /nfs/dbraw/zinc/95/49/55/342954955.db2.gz IYLDJJZSHNIIOQ-UHFFFAOYSA-N -1 0 203.197 1.744 50 0 BDAARM CCN(CC)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000019982209 342965603 /nfs/dbraw/zinc/96/56/03/342965603.db2.gz ZOAYBBWITZNRCB-UHFFFAOYSA-N -1 0 228.292 1.245 50 0 BDAARM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000020223416 342978114 /nfs/dbraw/zinc/97/81/14/342978114.db2.gz KZZZLACPRLEARL-ZETCQYMHSA-N -1 0 246.259 1.320 50 0 BDAARM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)[O-] ZINC000020285578 342980569 /nfs/dbraw/zinc/98/05/69/342980569.db2.gz VXIIZQXOIDYWBS-PRJMDXOYSA-N -1 0 227.260 1.469 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)[O-] ZINC000020285571 342980591 /nfs/dbraw/zinc/98/05/91/342980591.db2.gz RTWMQNSZCUYSJJ-PRJMDXOYSA-N -1 0 227.260 1.326 50 0 BDAARM O=C([O-])[C@@H]1CCCN1c1ncnc2sccc21 ZINC000020285322 342980716 /nfs/dbraw/zinc/98/07/16/342980716.db2.gz SNQHAQGRGDHJFK-QMMMGPOBSA-N -1 0 249.295 1.745 50 0 BDAARM O=C([O-])c1ccc(OCC2CCOCC2)nc1 ZINC000020357757 342983592 /nfs/dbraw/zinc/98/35/92/342983592.db2.gz BZQWXMFGGPBSOV-UHFFFAOYSA-N -1 0 237.255 1.585 50 0 BDAARM Cc1c(C(=O)[O-])c(C(F)(F)F)nn1C ZINC000020357816 342983633 /nfs/dbraw/zinc/98/36/33/342983633.db2.gz XVQPOCQCAAYPGZ-UHFFFAOYSA-N -1 0 208.139 1.446 50 0 BDAARM Cc1csc(N2CCC(C(=O)[O-])CC2)n1 ZINC000020439837 342985148 /nfs/dbraw/zinc/98/51/48/342985148.db2.gz OCCNNHHMDCZCNB-UHFFFAOYSA-N -1 0 226.301 1.753 50 0 BDAARM O=C([O-])[C@H]1CCCN1c1nc2cccnc2s1 ZINC000021163793 343005441 /nfs/dbraw/zinc/00/54/41/343005441.db2.gz KCGBPABTJYPDJN-MRVPVSSYSA-N -1 0 249.295 1.745 50 0 BDAARM CCc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000021951664 343029408 /nfs/dbraw/zinc/02/94/08/343029408.db2.gz YFRGQAFPMKPOQF-QMMMGPOBSA-N -1 0 221.256 1.452 50 0 BDAARM Cc1nc(CN[C@@H](C)C(=O)[O-])cs1 ZINC000021951756 343029442 /nfs/dbraw/zinc/02/94/42/343029442.db2.gz DQBGNVNMHNJJHS-YFKPBYRVSA-N -1 0 200.263 1.014 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000022221368 343044850 /nfs/dbraw/zinc/04/48/50/343044850.db2.gz FRLOYHRLDJWDJX-DCAQKATOSA-N -1 0 247.298 1.699 50 0 BDAARM O=c1[n-]cnn1-c1ccc(Cl)cc1Cl ZINC000026423665 343104912 /nfs/dbraw/zinc/10/49/12/343104912.db2.gz AJUBKBLVURGUCN-UHFFFAOYSA-N -1 0 230.054 1.867 50 0 BDAARM O=C([O-])c1csc(-c2ncccn2)n1 ZINC000029866054 343147739 /nfs/dbraw/zinc/14/77/39/343147739.db2.gz JLEFSHGKRSIMSK-UHFFFAOYSA-N -1 0 207.214 1.298 50 0 BDAARM NNc1nc2c(s1)COc1ccccc1-2 ZINC000043560043 343144427 /nfs/dbraw/zinc/14/44/27/343144427.db2.gz YQTUVCVGYXSQKN-UHFFFAOYSA-N -1 0 219.269 1.988 50 0 BDAARM Cc1nc(N)nc(-c2ccccc2[O-])n1 ZINC000013130578 346929644 /nfs/dbraw/zinc/92/96/44/346929644.db2.gz UVTVAMAYDLXALC-UHFFFAOYSA-N -1 0 202.217 1.135 50 0 BDAARM Cn1ccnc1COc1ccc(C(=O)[O-])cc1 ZINC000031978153 343227323 /nfs/dbraw/zinc/22/73/23/343227323.db2.gz FRSXOQOLPYKWIS-UHFFFAOYSA-N -1 0 232.239 1.697 50 0 BDAARM O=C([O-])[C@@H](O)Cc1cccc(Cl)c1 ZINC000032009962 343227757 /nfs/dbraw/zinc/22/77/57/343227757.db2.gz LTPLLXQULCUYHJ-QMMMGPOBSA-N -1 0 200.621 1.328 50 0 BDAARM CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC000032628910 343239057 /nfs/dbraw/zinc/23/90/57/343239057.db2.gz IFAMSTPTNRJBRG-YIZRAAEISA-N -1 0 241.287 1.859 50 0 BDAARM O=C([O-])Cn1ccnc1[C@@H](O)c1ccccc1 ZINC000022204006 343271857 /nfs/dbraw/zinc/27/18/57/343271857.db2.gz GLUOIBYUJXHDCR-NSHDSACASA-N -1 0 232.239 1.049 50 0 BDAARM CCN(CC)C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000034926444 343280330 /nfs/dbraw/zinc/28/03/30/343280330.db2.gz SVBVVSCJEKVQRD-SFYZADRCSA-N -1 0 213.277 1.212 50 0 BDAARM CCN(CC)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000034926441 343280347 /nfs/dbraw/zinc/28/03/47/343280347.db2.gz SVBVVSCJEKVQRD-JGVFFNPUSA-N -1 0 213.277 1.212 50 0 BDAARM O=C([O-])[C@H](c1ccccc1)N1CCCCC1=O ZINC000036960475 343328573 /nfs/dbraw/zinc/32/85/73/343328573.db2.gz CQHQRANYGPPLRE-LBPRGKRZSA-N -1 0 233.267 1.825 50 0 BDAARM O=C([O-])c1cc2c(c(Br)c1)OCO2 ZINC000035577524 343298411 /nfs/dbraw/zinc/29/84/11/343298411.db2.gz HLQBEIBAXJNCPT-UHFFFAOYSA-N -1 0 245.028 1.876 50 0 BDAARM Cc1ccc(C2=NO[C@H](C(=O)[O-])C2)cc1 ZINC000020594142 343309151 /nfs/dbraw/zinc/30/91/51/343309151.db2.gz SRKDYOFJHOCKES-JTQLQIEISA-N -1 0 205.213 1.573 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc2c(c1)OCO2 ZINC000037312235 343343218 /nfs/dbraw/zinc/34/32/18/343343218.db2.gz OOBITTXDOOFFAZ-UHFFFAOYSA-N -1 0 247.210 1.003 50 0 BDAARM O=C([O-])c1cn2ccc(Br)cc2n1 ZINC000040447989 343403663 /nfs/dbraw/zinc/40/36/63/343403663.db2.gz HKOPWQHBKVSTHO-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM O=C([O-])c1ccc(OCC2CCC2)nc1 ZINC000047476131 343562331 /nfs/dbraw/zinc/56/23/31/343562331.db2.gz DKPOXMLQTYEANZ-UHFFFAOYSA-N -1 0 207.229 1.959 50 0 BDAARM O=S(=O)([O-])CCCc1ccc(F)cc1 ZINC000049582070 343604010 /nfs/dbraw/zinc/60/40/10/343604010.db2.gz MPQHSGVLXLYLMF-UHFFFAOYSA-N -1 0 218.249 1.646 50 0 BDAARM Cc1oc(-c2ccco2)nc1CC(=O)[O-] ZINC000049632711 343604780 /nfs/dbraw/zinc/60/47/80/343604780.db2.gz DNFNJZYFUAIYPR-UHFFFAOYSA-N -1 0 207.185 1.870 50 0 BDAARM CC(C)NC(=O)Nc1ncc(C(=O)[O-])s1 ZINC000720019318 537832887 /nfs/dbraw/zinc/83/28/87/537832887.db2.gz PMSYIOWOOCHIBF-UHFFFAOYSA-N -1 0 229.261 1.371 50 0 BDAARM CC(C)c1ncc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cn1 ZINC000585134465 344146850 /nfs/dbraw/zinc/14/68/50/344146850.db2.gz VEKTZOFDSVORNP-DTWKUNHWSA-N -1 0 249.270 1.259 50 0 BDAARM Nc1cc(=O)[n-]n1-c1ccc(F)cc1F ZINC000040907092 344409995 /nfs/dbraw/zinc/40/99/95/344409995.db2.gz WWKJCZGAJNIIMU-UHFFFAOYSA-N -1 0 211.171 1.026 50 0 BDAARM O=C([O-])c1ccnc(Nc2ccc(O)cc2)n1 ZINC000166086120 344751865 /nfs/dbraw/zinc/75/18/65/344751865.db2.gz GWLHVPQJDORVEF-UHFFFAOYSA-N -1 0 231.211 1.624 50 0 BDAARM CC(=O)N/C(=C/c1ccccc1Cl)C(=O)[O-] ZINC000000338566 344707145 /nfs/dbraw/zinc/70/71/45/344707145.db2.gz DRSFTYBSAQMDJP-UXBLZVDNSA-N -1 0 239.658 1.902 50 0 BDAARM C[C@H](CNC(=O)c1ccccc1)C(=O)[O-] ZINC000033506701 344808419 /nfs/dbraw/zinc/80/84/19/344808419.db2.gz CCEBPEVKSYSXIR-MRVPVSSYSA-N -1 0 207.229 1.137 50 0 BDAARM CC(=O)N1CCCc2cc([S@@](=O)[O-])ccc21 ZINC000071549422 537897187 /nfs/dbraw/zinc/89/71/87/537897187.db2.gz RUVDQDIDAHXRBE-UHFFFAOYSA-N -1 0 239.296 1.566 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)C(C)C ZINC000169044318 345833499 /nfs/dbraw/zinc/83/34/99/345833499.db2.gz YSXIWTRCRGRBIA-UHFFFAOYSA-N -1 0 242.296 1.875 50 0 BDAARM CO[C@@H](C(=O)[O-])c1cc(F)cc(F)c1 ZINC000118683360 537929771 /nfs/dbraw/zinc/92/97/71/537929771.db2.gz ZGAAFRQSQHBMLM-MRVPVSSYSA-N -1 0 202.156 1.737 50 0 BDAARM O=S(=O)(Cc1ccccc1)c1ncccc1[O-] ZINC000071766347 537948756 /nfs/dbraw/zinc/94/87/56/537948756.db2.gz OJRUJRDDZFCIEF-UHFFFAOYSA-N -1 0 249.291 1.761 50 0 BDAARM Cc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC000062117348 179010710 /nfs/dbraw/zinc/01/07/10/179010710.db2.gz YCERMHJKIYZXLC-LLVKDONJSA-N -1 0 247.294 1.850 50 0 BDAARM Cc1cccc(C(=O)N[C@@H](C)CCC(=O)[O-])c1 ZINC000070311049 179021599 /nfs/dbraw/zinc/02/15/99/179021599.db2.gz XWFQFCFIJPDCIZ-JTQLQIEISA-N -1 0 235.283 1.978 50 0 BDAARM Nc1ccc(C(=O)[O-])cc1-c1ncccn1 ZINC000669379796 537981760 /nfs/dbraw/zinc/98/17/60/537981760.db2.gz DRGGLTUKGPCYIJ-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM Cc1cccc(NC(=O)/C=C\C(=O)[O-])c1C ZINC000031776156 179124469 /nfs/dbraw/zinc/12/44/69/179124469.db2.gz VELSACLSCVPKNK-SREVYHEPSA-N -1 0 219.240 1.883 50 0 BDAARM C[C@H](CC(=O)[O-])CC(=O)NC1CCCCC1 ZINC000018249688 347289599 /nfs/dbraw/zinc/28/95/99/347289599.db2.gz KMBYRJXJHWHLDV-VIFPVBQESA-N -1 0 227.304 1.936 50 0 BDAARM Cc1cccc2c1NC(=O)[C@H]2CC(=O)[O-] ZINC000100142319 179219827 /nfs/dbraw/zinc/21/98/27/179219827.db2.gz WUUIYXLJVZVXHC-QMMMGPOBSA-N -1 0 205.213 1.505 50 0 BDAARM CC(C)CN(CC(C)C)C(=O)CCC(=O)[O-] ZINC000020205442 259397897 /nfs/dbraw/zinc/39/78/97/259397897.db2.gz VFQVPAFURNCNTR-UHFFFAOYSA-N -1 0 229.320 1.992 50 0 BDAARM Cc1ccccc1Nc1nc(=O)c(C)n[n-]1 ZINC000019791856 179308442 /nfs/dbraw/zinc/30/84/42/179308442.db2.gz RSOTYHKDQPJEQS-UHFFFAOYSA-N -1 0 216.244 1.525 50 0 BDAARM Cc1cccn(Cc2ccc(C(=O)[O-])o2)c1=O ZINC000019722986 179352257 /nfs/dbraw/zinc/35/22/57/179352257.db2.gz KOTNERDPTALGMW-UHFFFAOYSA-N -1 0 233.223 1.496 50 0 BDAARM Cc1ccoc1C(=O)N(CC(=O)[O-])CC(C)C ZINC000059881256 179502393 /nfs/dbraw/zinc/50/23/93/179502393.db2.gz HEGKHNDNULRERY-UHFFFAOYSA-N -1 0 239.271 1.771 50 0 BDAARM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)[O-] ZINC000299805657 538030584 /nfs/dbraw/zinc/03/05/84/538030584.db2.gz ZRKOZYSIEWQQQS-SFYZADRCSA-N -1 0 245.275 1.001 50 0 BDAARM Cc1nc(C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000002555688 179892914 /nfs/dbraw/zinc/89/29/14/179892914.db2.gz IOKWGFCAXYAKKM-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM Cc1[nH]c(C)c(C(=O)[O-])c(=O)c1Br ZINC000005297370 179905372 /nfs/dbraw/zinc/90/53/72/179905372.db2.gz GXWVLFZDHVVCGO-UHFFFAOYSA-N -1 0 246.060 1.865 50 0 BDAARM Cc1cc(Br)c(C(=O)[O-])cn1 ZINC000084077459 191007908 /nfs/dbraw/zinc/00/79/08/191007908.db2.gz FYWMYYUNSJWYKV-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM Cc1nc2c(nc(C)nc2N[C@@H](C)C(=O)[O-])o1 ZINC000000205991 180022899 /nfs/dbraw/zinc/02/28/99/180022899.db2.gz XTRGZFPYBZDSAM-BYPYZUCNSA-N -1 0 236.231 1.120 50 0 biogenic BDAARM COc1cc(CC(=O)[O-])c(C(F)(F)F)cn1 ZINC000309169189 350115044 /nfs/dbraw/zinc/11/50/44/350115044.db2.gz KOFSIZNJLPYOHA-UHFFFAOYSA-N -1 0 235.161 1.736 50 0 BDAARM Cc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC000009189643 180101243 /nfs/dbraw/zinc/10/12/43/180101243.db2.gz RHKNYUITXQMCRB-UHFFFAOYSA-N -1 0 232.239 1.180 50 0 BDAARM O=C(C=C([O-])c1ccncc1)C(F)(F)F ZINC000100247499 191062575 /nfs/dbraw/zinc/06/25/75/191062575.db2.gz VVFWWIMDNOGGLM-UHFFFAOYSA-N -1 0 217.146 1.786 50 0 BDAARM Cc1nn([C@H]2CCCCO2)c(C)c1C(=O)[O-] ZINC000238856054 180393197 /nfs/dbraw/zinc/39/31/97/180393197.db2.gz USWARDWJLFRKLM-SECBINFHSA-N -1 0 224.260 1.897 50 0 BDAARM Cc1nn([C@H](C)C(=O)[O-])c(C)c1Cl ZINC000002537590 180393513 /nfs/dbraw/zinc/39/35/13/180393513.db2.gz ZFBIVBZRAMXENI-ZCFIWIBFSA-N -1 0 202.641 1.799 50 0 BDAARM Cc1nn(CC(=O)[O-])c(C)c1Br ZINC000000335388 180385983 /nfs/dbraw/zinc/38/59/83/180385983.db2.gz DBQZMBXCYZSMDQ-UHFFFAOYSA-N -1 0 233.065 1.347 50 0 BDAARM Cc1nn(CCCC(=O)[O-])cc1Br ZINC000012357816 180387806 /nfs/dbraw/zinc/38/78/06/180387806.db2.gz FAVMWAYCTJGCSE-UHFFFAOYSA-N -1 0 247.092 1.819 50 0 BDAARM Cc1noc(C(F)(F)Cl)c1C(=O)[O-] ZINC000074942707 180462064 /nfs/dbraw/zinc/46/20/64/180462064.db2.gz BXKXJRCQMBAASX-UHFFFAOYSA-N -1 0 211.551 1.969 50 0 BDAARM Cn1c(=O)c(C(=O)[O-])c(Cl)c2ccccc21 ZINC000059175131 180610076 /nfs/dbraw/zinc/61/00/76/180610076.db2.gz GLGXBPBPRWWXJA-UHFFFAOYSA-N -1 0 237.642 1.890 50 0 BDAARM [NH3+][C@H](CCCCCCCC(=O)[O-])C(=O)[O-] ZINC000002108714 363162711 /nfs/dbraw/zinc/16/27/11/363162711.db2.gz OZELAETXNOXZOK-MRVPVSSYSA-N -1 0 217.265 1.214 50 0 biogenic BDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCCCC1 ZINC000002571477 187756316 /nfs/dbraw/zinc/75/63/16/187756316.db2.gz IXKXWOPQJSDTFX-KXNHARMFSA-N -1 0 249.310 1.522 50 0 BDAARM O=C([O-])c1nc[nH]c1C(=O)Nc1ccccc1 ZINC000004066912 187756905 /nfs/dbraw/zinc/75/69/05/187756905.db2.gz JRYSJLPNUUHTER-UHFFFAOYSA-N -1 0 231.211 1.360 50 0 BDAARM CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000005283508 187757999 /nfs/dbraw/zinc/75/79/99/187757999.db2.gz WOMAZWFMNNIOID-UHFFFAOYSA-N -1 0 233.676 1.165 50 0 BDAARM C/C(=C\C(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000128514108 187809531 /nfs/dbraw/zinc/80/95/31/187809531.db2.gz DTVHFHGCZCDNQW-MXMFLMJRSA-N -1 0 237.299 1.666 50 0 BDAARM O=C([O-])CN1Cc2ccccc2CCC1=O ZINC000148838924 187812246 /nfs/dbraw/zinc/81/22/46/187812246.db2.gz BUDWPGSSYJHKJX-UHFFFAOYSA-N -1 0 219.240 1.046 50 0 BDAARM Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000536952421 323959038 /nfs/dbraw/zinc/95/90/38/323959038.db2.gz YNRQDVJBFJKWIA-UHFFFAOYSA-N -1 0 236.168 1.586 50 0 BDAARM CC(=O)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000002172229 188455405 /nfs/dbraw/zinc/45/54/05/188455405.db2.gz QINYBRXZAIWZBM-UHFFFAOYSA-N -1 0 221.212 1.302 50 0 BDAARM CC(C)(Oc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000005186961 188457698 /nfs/dbraw/zinc/45/76/98/188457698.db2.gz LCMOUKCVPZXKLT-UHFFFAOYSA-N -1 0 223.228 1.028 50 0 BDAARM CC1(C)SC(C)(C)N(C=O)[C@@H]1C(=O)[O-] ZINC000004794462 188458198 /nfs/dbraw/zinc/45/81/98/188458198.db2.gz QEIKJZZSMZXSAI-ZCFIWIBFSA-N -1 0 217.290 1.160 50 0 BDAARM CCOc1ncccc1C([O-])=CC(=O)OC ZINC000048623163 188481231 /nfs/dbraw/zinc/48/12/31/188481231.db2.gz MGUSALHWDNIFJP-UHFFFAOYSA-N -1 0 223.228 1.226 50 0 BDAARM CCOc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000004201409 353721905 /nfs/dbraw/zinc/72/19/05/353721905.db2.gz SGBGGGJESAABIS-MRVPVSSYSA-N -1 0 237.255 1.288 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000019518514 356484106 /nfs/dbraw/zinc/48/41/06/356484106.db2.gz LKMAPZFSIYORAG-GHMZBOCLSA-N -1 0 237.299 1.666 50 0 BDAARM CCCc1onc(-c2c[nH]cn2)c1C(=O)[O-] ZINC000675057746 538480500 /nfs/dbraw/zinc/48/05/00/538480500.db2.gz MYAZQZFWJIWJOH-UHFFFAOYSA-N -1 0 221.216 1.715 50 0 BDAARM O=C([O-])c1c(-c2c[nH]cn2)noc1C(F)(F)F ZINC000675058182 538481686 /nfs/dbraw/zinc/48/16/86/538481686.db2.gz XPZIKZLWAULZFX-UHFFFAOYSA-N -1 0 247.132 1.782 50 0 BDAARM CCCNc1ccc(CC(=O)[O-])cc1N ZINC000675067584 538495004 /nfs/dbraw/zinc/49/50/04/538495004.db2.gz KAKVQFJTWVBMCS-UHFFFAOYSA-N -1 0 208.261 1.718 50 0 BDAARM Cc1cnccc1-c1cnc(C(=O)[O-])nc1 ZINC000675070383 538501325 /nfs/dbraw/zinc/50/13/25/538501325.db2.gz WGBFZKUNPSZXNL-UHFFFAOYSA-N -1 0 215.212 1.545 50 0 BDAARM CCOC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000086573234 538557468 /nfs/dbraw/zinc/55/74/68/538557468.db2.gz JQQIPOUMZBPLJY-UHFFFAOYSA-N -1 0 215.249 1.330 50 0 BDAARM O=C([O-])c1coc(NC[C@@H]2CCC[C@H](O)C2)n1 ZINC000227819787 358363760 /nfs/dbraw/zinc/36/37/60/358363760.db2.gz BWKDLKKDKLBVRY-SFYZADRCSA-N -1 0 240.259 1.336 50 0 BDAARM O=S(=O)([O-])c1ccc2c(c1)nc1n2CCC1 ZINC000001820336 358953774 /nfs/dbraw/zinc/95/37/74/358953774.db2.gz LXUNHYNMKKUNNC-UHFFFAOYSA-N -1 0 238.268 1.229 50 0 BDAARM COC(=O)c1cc([S@](=O)[O-])ccc1C ZINC000306536298 360395524 /nfs/dbraw/zinc/39/55/24/360395524.db2.gz HFEAZWFNBZZDQX-UHFFFAOYSA-N -1 0 214.242 1.362 50 0 BDAARM O=C([N-][C@H]1C[C@H](O)c2ccccc21)C(F)(F)F ZINC000200937177 360453844 /nfs/dbraw/zinc/45/38/44/360453844.db2.gz KNYCCPSQQQDWMZ-IUCAKERBSA-N -1 0 245.200 1.843 50 0 BDAARM Cc1cnc(NC(=O)CCC(=O)[O-])s1 ZINC000006731477 360688140 /nfs/dbraw/zinc/68/81/40/360688140.db2.gz JGBLXWMMQNZTDF-UHFFFAOYSA-N -1 0 214.246 1.255 50 0 BDAARM COc1ccc(OCCCC(=O)[O-])cc1 ZINC000001694957 200650631 /nfs/dbraw/zinc/65/06/31/200650631.db2.gz WUHMCXAVTAKIAE-UHFFFAOYSA-N -1 0 210.229 1.939 50 0 BDAARM NC(=S)/C(=C/c1ccccc1O)C(=O)[O-] ZINC000003407345 181314816 /nfs/dbraw/zinc/31/48/16/181314816.db2.gz QIKZKJFWFMPDKH-ALCCZGGFSA-N -1 0 223.253 1.146 50 0 BDAARM O=C([O-])Cc1ccnc(F)c1C(F)(F)F ZINC000238696096 361179988 /nfs/dbraw/zinc/17/99/88/361179988.db2.gz LBCGQEAXGZKUQR-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM CC1CC(C(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC000575141631 365221634 /nfs/dbraw/zinc/22/16/34/365221634.db2.gz HPLJPUQLTKLBRP-RTBKNWGFSA-N -1 0 225.288 1.498 50 0 BDAARM COC(=O)C1=C([O-])c2ccccc2NC(=O)C1 ZINC000019908822 368372878 /nfs/dbraw/zinc/37/28/78/368372878.db2.gz XGBANNXWHLNQIP-QMMMGPOBSA-N -1 0 233.223 1.001 50 0 BDAARM Cc1c(Br)c[nH]c(=O)c1C(=O)[O-] ZINC000144067209 368393980 /nfs/dbraw/zinc/39/39/80/368393980.db2.gz XWBBDMPPUISBGX-UHFFFAOYSA-N -1 0 232.033 1.556 50 0 BDAARM O=S(=O)([N-]c1nncs1)c1ccccc1 ZINC000000438614 368551218 /nfs/dbraw/zinc/55/12/18/368551218.db2.gz CQVBWAMMROBBPU-UHFFFAOYSA-N -1 0 241.297 1.339 50 0 BDAARM C/C(=C/C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C1CC1 ZINC000225394209 370516225 /nfs/dbraw/zinc/51/62/25/370516225.db2.gz FOFYWALBXPQVDQ-FNOHHLHBSA-N -1 0 237.299 1.666 50 0 BDAARM CCSC(SCC)c1nnn[n-]1 ZINC000020405502 371278778 /nfs/dbraw/zinc/27/87/78/371278778.db2.gz HAXQWXBTQRYVII-UHFFFAOYSA-N -1 0 204.324 1.705 50 0 BDAARM Nc1cc2c(cc1C(=O)[O-])OC(F)(F)O2 ZINC000091252496 181691714 /nfs/dbraw/zinc/69/17/14/181691714.db2.gz HXZOVDGSMJZADX-UHFFFAOYSA-N -1 0 217.127 1.289 50 0 BDAARM Nc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000040471935 181700105 /nfs/dbraw/zinc/70/01/05/181700105.db2.gz QUZYAFQPJQSVRD-JTQLQIEISA-N -1 0 248.282 1.206 50 0 BDAARM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)o1 ZINC000022176236 371519166 /nfs/dbraw/zinc/51/91/66/371519166.db2.gz CLKKHWYEELVQPY-SNVBAGLBSA-N -1 0 239.271 1.735 50 0 BDAARM Nc1ncc(-c2ccc(C=O)cc2)cc1C(=O)[O-] ZINC000065347218 181794959 /nfs/dbraw/zinc/79/49/59/181794959.db2.gz SIKDKDMFLKXFLD-UHFFFAOYSA-N -1 0 242.234 1.842 50 0 BDAARM CCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002741775 168859264 /nfs/dbraw/zinc/85/92/64/168859264.db2.gz PSXSDJFHXYJJFU-VHSXEESVSA-N -1 0 227.304 1.794 50 0 BDAARM O=C([O-])[C@H](CF)NC(=O)OCc1ccccc1 ZINC000039285131 182286520 /nfs/dbraw/zinc/28/65/20/182286520.db2.gz FXFJJOJQOPXMPP-VIFPVBQESA-N -1 0 241.218 1.336 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccsc2)C1 ZINC000085006528 182309817 /nfs/dbraw/zinc/30/98/17/182309817.db2.gz LGYHRROWGFYRPZ-IONNQARKSA-N -1 0 239.296 1.731 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccoc2)C1 ZINC000085006449 182340340 /nfs/dbraw/zinc/34/03/40/182340340.db2.gz RDNOFEVSTQSCBG-APPZFPTMSA-N -1 0 223.228 1.263 50 0 BDAARM O=C([O-])C1CCC(OC[C@H]2CCCO2)CC1 ZINC000098210156 182429294 /nfs/dbraw/zinc/42/92/94/182429294.db2.gz OWKNDBBRCOQJBA-VQXHTEKXSA-N -1 0 228.288 1.825 50 0 BDAARM O=C([O-])C1CN(C(=O)OCc2ccccc2)C1 ZINC000026894652 182429522 /nfs/dbraw/zinc/42/95/22/182429522.db2.gz PVJPBKZGIUAESY-UHFFFAOYSA-N -1 0 235.239 1.340 50 0 BDAARM O=C([O-])CCCC(=O)OCc1ccco1 ZINC000003105979 182435686 /nfs/dbraw/zinc/43/56/86/182435686.db2.gz OAXMGUBECMCTSE-UHFFFAOYSA-N -1 0 212.201 1.578 50 0 BDAARM O=C([O-])CCCc1ccc2c(c1)OCO2 ZINC000000133406 182441495 /nfs/dbraw/zinc/44/14/95/182441495.db2.gz DOVMVBWTRNTJOF-UHFFFAOYSA-N -1 0 208.213 1.823 50 0 BDAARM O=C([O-])COc1ccc2c(c1)NC(=O)CC2 ZINC000011730305 182470738 /nfs/dbraw/zinc/47/07/38/182470738.db2.gz ZGGNYKQEJXPJLF-UHFFFAOYSA-N -1 0 221.212 1.035 50 0 BDAARM O=C([O-])Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000000818862 182498883 /nfs/dbraw/zinc/49/88/83/182498883.db2.gz IFIZLMBMWFHCOO-UHFFFAOYSA-N -1 0 238.634 1.078 50 0 BDAARM O=C([O-])Cc1cccc2c1OC(F)(F)O2 ZINC000036438970 182492534 /nfs/dbraw/zinc/49/25/34/182492534.db2.gz MALUPQXIZSPUNS-UHFFFAOYSA-N -1 0 216.139 1.635 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc3n[nH]cc3c2)C1 ZINC000067675550 182507220 /nfs/dbraw/zinc/50/72/20/182507220.db2.gz JOHFEJQWXAGOML-MRVPVSSYSA-N -1 0 245.238 1.000 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2)C1 ZINC000170625943 182515504 /nfs/dbraw/zinc/51/55/04/182515504.db2.gz GUXFPHRQZJBAQP-VHSXEESVSA-N -1 0 225.288 1.500 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccnc1 ZINC000000397919 182533706 /nfs/dbraw/zinc/53/37/06/182533706.db2.gz AFWWQUGLCPAHPY-QWRGUYRKSA-N -1 0 248.282 1.911 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000019802696 182535326 /nfs/dbraw/zinc/53/53/26/182535326.db2.gz MJQHNBXBMIPISF-PORFMDCZSA-N -1 0 249.266 1.616 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2nccs2)C1 ZINC000225528349 182540880 /nfs/dbraw/zinc/54/08/80/182540880.db2.gz NNIRDXDNHWLQLV-BQBZGAKWSA-N -1 0 240.284 1.583 50 0 BDAARM O=C([O-])[C@H]1CCn2c(nc3ccccc32)C1 ZINC000049455196 182541397 /nfs/dbraw/zinc/54/13/97/182541397.db2.gz LRFTVNCRACYRDG-QMMMGPOBSA-N -1 0 216.240 1.683 50 0 BDAARM O=C([O-])c1cc(F)ccc1-n1cccn1 ZINC000037234116 182556314 /nfs/dbraw/zinc/55/63/14/182556314.db2.gz BTTTZTDHHFSDKD-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM O=C([O-])c1ccc(I)cn1 ZINC000014983086 182568009 /nfs/dbraw/zinc/56/80/09/182568009.db2.gz VHBWDGNMKCLMCB-UHFFFAOYSA-N -1 0 249.007 1.384 50 0 BDAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCCO2)c1 ZINC000037716416 182576320 /nfs/dbraw/zinc/57/63/20/182576320.db2.gz GFYFMEHDUUGYRI-NSHDSACASA-N -1 0 249.266 1.180 50 0 BDAARM O=C([O-])c1cccc(CNC(=O)[C@H]2CCOC2)c1 ZINC000040929845 182575912 /nfs/dbraw/zinc/57/59/12/182575912.db2.gz JEXCFILPSSMVRD-NSHDSACASA-N -1 0 249.266 1.038 50 0 BDAARM O=C([O-])c1cn(-c2ccc(F)c(F)c2)nn1 ZINC000020216586 182586977 /nfs/dbraw/zinc/58/69/77/182586977.db2.gz DMLHPAYIZDVIRY-UHFFFAOYSA-N -1 0 225.154 1.244 50 0 BDAARM O=C([O-])c1cn(C2CCSCC2)nn1 ZINC000096516310 182587357 /nfs/dbraw/zinc/58/73/57/182587357.db2.gz YESJDIBIVKEYHG-UHFFFAOYSA-N -1 0 213.262 1.044 50 0 BDAARM O=C([O-])c1nn(-c2ccccc2)cc1CCCO ZINC000032627071 182596275 /nfs/dbraw/zinc/59/62/75/182596275.db2.gz JGAJNNPQJDMOAG-UHFFFAOYSA-N -1 0 246.266 1.495 50 0 BDAARM O=c1cn[n-]c(NC2CCCCCC2)n1 ZINC000005009515 183006385 /nfs/dbraw/zinc/00/63/85/183006385.db2.gz TUSQQDDRWUKIEC-UHFFFAOYSA-N -1 0 208.265 1.300 50 0 BDAARM S=c1[n-]nc2ccc(-c3ccco3)nn21 ZINC000061966054 183316448 /nfs/dbraw/zinc/31/64/48/183316448.db2.gz XIFFBLWMWCBHID-UHFFFAOYSA-N -1 0 218.241 1.673 50 0 BDAARM S=c1[n-]nnn1-c1cccc(Cl)c1 ZINC000005731022 183316704 /nfs/dbraw/zinc/31/67/04/183316704.db2.gz UNIAYRLZLPUWAB-UHFFFAOYSA-N -1 0 212.665 1.604 50 0 BDAARM O=c1[n-]nnn1Cc1cccc(Cl)c1 ZINC000085388658 183310630 /nfs/dbraw/zinc/31/06/30/183310630.db2.gz AQLGQJZCVFAFNW-UHFFFAOYSA-N -1 0 210.624 1.080 50 0 BDAARM CC(=O)c1cc2ccc([O-])cc2oc1=O ZINC000000047516 383819116 /nfs/dbraw/zinc/81/91/16/383819116.db2.gz BRQZHMHHZLRXOO-UHFFFAOYSA-N -1 0 204.181 1.701 50 0 biogenic,in-vivo BDAARM COC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000045722 383819448 /nfs/dbraw/zinc/81/94/48/383819448.db2.gz DBEKDAZTABHMRW-VOTSOKGWSA-N -1 0 249.222 1.053 50 0 BDAARM Cc1cc(C)cc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000038664 383820103 /nfs/dbraw/zinc/82/01/03/383820103.db2.gz RMPBFVIFASQTTQ-ONEGZZNKSA-N -1 0 219.240 1.883 50 0 BDAARM O=C([O-])COCc1nc2ccccc2[nH]1 ZINC000000070243 383821189 /nfs/dbraw/zinc/82/11/89/383821189.db2.gz QQCDVGPTWGIYAK-UHFFFAOYSA-N -1 0 206.201 1.164 50 0 BDAARM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000080812 383823946 /nfs/dbraw/zinc/82/39/46/383823946.db2.gz DZTHIGRZJZPRDV-LBPRGKRZSA-N -1 0 246.266 1.300 50 0 endogenous,in-man BDAARM O=C([O-])COc1ccccc1Br ZINC000000087943 383824080 /nfs/dbraw/zinc/82/40/80/383824080.db2.gz AZYODYPUWJPKOI-UHFFFAOYSA-N -1 0 231.045 1.913 50 0 BDAARM CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)[O-])(C3)C2 ZINC000000106370 383828116 /nfs/dbraw/zinc/82/81/16/383828116.db2.gz XBMPXAYRLNNWET-ASZHBFLOSA-N -1 0 237.299 1.546 50 0 BDAARM O=C([O-])CCC(=O)Nc1nccc2cccnc21 ZINC000000154304 383836490 /nfs/dbraw/zinc/83/64/90/383836490.db2.gz QXLLOFROZJRIHD-UHFFFAOYSA-N -1 0 245.238 1.433 50 0 BDAARM CS(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000000183476 383841805 /nfs/dbraw/zinc/84/18/05/383841805.db2.gz IFAFHONNYUQKIJ-UHFFFAOYSA-N -1 0 228.298 1.668 50 0 BDAARM O=C([O-])CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000000248741 383846853 /nfs/dbraw/zinc/84/68/53/383846853.db2.gz OMPYJFAYYUEIPJ-UHFFFAOYSA-N -1 0 237.299 1.546 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)C=C(C1CC1)C1CC1 ZINC000269199539 383854558 /nfs/dbraw/zinc/85/45/58/383854558.db2.gz QWBPDPMUQICTBN-LBPRGKRZSA-N -1 0 249.310 1.808 50 0 BDAARM C[C@@H](CC(=O)[O-])C(=O)c1ccc(N)cc1 ZINC000066325864 383857637 /nfs/dbraw/zinc/85/76/37/383857637.db2.gz LTGZRJJFPDCBAO-ZETCQYMHSA-N -1 0 207.229 1.562 50 0 BDAARM CC(=O)c1c(C)oc2cc([O-])cc(O)c2c1=O ZINC000000481596 383872853 /nfs/dbraw/zinc/87/28/53/383872853.db2.gz JPJLOHCYWXTCCN-UHFFFAOYSA-N -1 0 234.207 1.715 50 0 BDAARM CC(C)C[C@H](Nc1ncnc2nc[nH]c21)C(=O)[O-] ZINC000000517324 383874466 /nfs/dbraw/zinc/87/44/66/383874466.db2.gz CHFPMAUBZFXAIO-ZETCQYMHSA-N -1 0 249.274 1.264 50 0 biogenic BDAARM O=C([O-])CCCC(=O)Nc1nccs1 ZINC000000120564 383830482 /nfs/dbraw/zinc/83/04/82/383830482.db2.gz KIGCPAJFAFXJHS-UHFFFAOYSA-N -1 0 214.246 1.337 50 0 BDAARM O=C([O-])COc1ncc(Cl)cc1Cl ZINC000000967369 383886416 /nfs/dbraw/zinc/88/64/16/383886416.db2.gz TYWLCRHMAZYOFB-UHFFFAOYSA-N -1 0 222.027 1.852 50 0 BDAARM O=C([O-])COc1c(F)c(F)cc(F)c1F ZINC000000969666 383886859 /nfs/dbraw/zinc/88/68/59/383886859.db2.gz NXTODGOOFUJCNQ-UHFFFAOYSA-N -1 0 224.109 1.706 50 0 BDAARM CC(=O)c1cccc(NC(=O)C=CC(=O)[O-])c1 ZINC000001296751 383893405 /nfs/dbraw/zinc/89/34/05/383893405.db2.gz YYXORIWGLJYIAI-AATRIKPKSA-N -1 0 233.223 1.469 50 0 BDAARM CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002741778 383986276 /nfs/dbraw/zinc/98/62/76/383986276.db2.gz PSXSDJFHXYJJFU-ZJUUUORDSA-N -1 0 227.304 1.794 50 0 BDAARM O=C([O-])CCCNC(=O)c1ccc(Cl)cc1 ZINC000002880436 383988940 /nfs/dbraw/zinc/98/89/40/383988940.db2.gz OWNIULYDSMYROG-UHFFFAOYSA-N -1 0 241.674 1.935 50 0 BDAARM C[C@H](CCC(=O)NC1CCCCC1)C(=O)[O-] ZINC000002845549 383991112 /nfs/dbraw/zinc/99/11/12/383991112.db2.gz ORHBRNGIQYZQRP-SECBINFHSA-N -1 0 227.304 1.936 50 0 BDAARM O=C([O-])Cc1cn2cc(Cl)ccc2n1 ZINC000002024768 383944123 /nfs/dbraw/zinc/94/41/23/383944123.db2.gz IHZMECVRSCZAHU-UHFFFAOYSA-N -1 0 210.620 1.615 50 0 BDAARM O=C([O-])CCCCCNC(=O)c1ccco1 ZINC000002279604 383957452 /nfs/dbraw/zinc/95/74/52/383957452.db2.gz WGPWPHSXUBPXTE-UHFFFAOYSA-N -1 0 225.244 1.654 50 0 BDAARM COCCn1ccc2c1cccc2C(=O)[O-] ZINC000037244842 383965055 /nfs/dbraw/zinc/96/50/55/383965055.db2.gz UHQHOMJUEMAPIT-UHFFFAOYSA-N -1 0 219.240 1.986 50 0 biogenic BDAARM O=C1Nc2ccc(S(=O)(=O)[O-])c3cccc1c23 ZINC000002480686 383966791 /nfs/dbraw/zinc/96/67/91/383966791.db2.gz FDLCCKWHHXEWGC-UHFFFAOYSA-N -1 0 249.247 1.652 50 0 BDAARM C[C@](O)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000002547708 383973856 /nfs/dbraw/zinc/97/38/56/383973856.db2.gz CUDDZZCNPJYPBF-SECBINFHSA-N -1 0 200.621 1.632 50 0 BDAARM COc1ncccc1-c1cncc(C(=O)[O-])c1 ZINC000067788383 384023046 /nfs/dbraw/zinc/02/30/46/384023046.db2.gz QVLXUCVMVUYPQK-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM CC(=O)c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000003379365 384010094 /nfs/dbraw/zinc/01/00/94/384010094.db2.gz LMBHCEXLVUOTAV-MRVPVSSYSA-N -1 0 208.213 1.741 50 0 BDAARM O=C([O-])Cc1cc(=O)[nH]c2ccccc12 ZINC000004228066 384046970 /nfs/dbraw/zinc/04/69/70/384046970.db2.gz UXVHMJOEWPQFFT-UHFFFAOYSA-N -1 0 203.197 1.155 50 0 BDAARM O=C([O-])CCc1cnn(-c2ccccc2)c1 ZINC000004219059 384047903 /nfs/dbraw/zinc/04/79/03/384047903.db2.gz NBHCOIXHQRCPQV-UHFFFAOYSA-N -1 0 216.240 1.890 50 0 BDAARM O=C([O-])C1CCN(c2nccs2)CC1 ZINC000004218950 384048409 /nfs/dbraw/zinc/04/84/09/384048409.db2.gz RBLAPOMCQIFXCT-UHFFFAOYSA-N -1 0 212.274 1.444 50 0 BDAARM COC(=O)c1cc(-c2ccc(C(=O)[O-])cc2)on1 ZINC000090513788 384056348 /nfs/dbraw/zinc/05/63/48/384056348.db2.gz YGJBDODYBMPATP-UHFFFAOYSA-N -1 0 247.206 1.826 50 0 BDAARM CCCCOCCCNC(=O)CCC(=O)[O-] ZINC000004672608 384061121 /nfs/dbraw/zinc/06/11/21/384061121.db2.gz LXBGPRSCHAKCLZ-UHFFFAOYSA-N -1 0 231.292 1.174 50 0 BDAARM CC1(C)S[C@H](c2cccnc2)N[C@@H]1C(=O)[O-] ZINC000004640738 384073315 /nfs/dbraw/zinc/07/33/15/384073315.db2.gz WFIBNIODPWJRHK-RKDXNWHRSA-N -1 0 238.312 1.648 50 0 BDAARM COCCn1cc(C(=O)[O-])c2ccccc21 ZINC000004973359 384091585 /nfs/dbraw/zinc/09/15/85/384091585.db2.gz FXSBCLSDWGBWQY-UHFFFAOYSA-N -1 0 219.240 1.986 50 0 biogenic BDAARM O=C([O-])CCCC(=O)Nc1ccc(O)cc1 ZINC000005091125 384101024 /nfs/dbraw/zinc/10/10/24/384101024.db2.gz KJVAPVLPMQWXAJ-UHFFFAOYSA-N -1 0 223.228 1.586 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000091304807 384118510 /nfs/dbraw/zinc/11/85/10/384118510.db2.gz OUTDFRNFTVGFRQ-RDDDGLTNSA-N -1 0 227.260 1.328 50 0 BDAARM O=C([O-])Cn1c(=O)oc2ccc(Cl)cc21 ZINC000005451375 384115206 /nfs/dbraw/zinc/11/52/06/384115206.db2.gz HAUYIEZNIDPDKP-UHFFFAOYSA-N -1 0 227.603 1.333 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)[O-])C1 ZINC000091304540 384117711 /nfs/dbraw/zinc/11/77/11/384117711.db2.gz QXRGGYBREHVBNA-PRHODGIISA-N -1 0 241.287 1.718 50 0 BDAARM O=C([O-])CCCC(=O)Nc1ccccc1O ZINC000005679651 384124023 /nfs/dbraw/zinc/12/40/23/384124023.db2.gz NCEVJMUZIPFQSW-UHFFFAOYSA-N -1 0 223.228 1.586 50 0 BDAARM CSc1ccccc1-n1nn[n-]c1=S ZINC000005911777 384138126 /nfs/dbraw/zinc/13/81/26/384138126.db2.gz XGZBBXLSTOAMTO-UHFFFAOYSA-N -1 0 224.314 1.673 50 0 BDAARM O=C([O-])Cc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000040162977 384128269 /nfs/dbraw/zinc/12/82/69/384128269.db2.gz BEGCNOZUQFIXOD-UHFFFAOYSA-N -1 0 237.646 1.752 50 0 BDAARM O=C([O-])C1(c2cncc(Br)c2)CC1 ZINC000091692732 384138383 /nfs/dbraw/zinc/13/83/83/384138383.db2.gz IWOCHOGYZNRHGW-UHFFFAOYSA-N -1 0 242.072 1.960 50 0 BDAARM C[C@H](NC(=O)[C@H](C)Oc1ccccc1)C(=O)[O-] ZINC000033434476 384173726 /nfs/dbraw/zinc/17/37/26/384173726.db2.gz PVNYUBVYNXAWMN-IUCAKERBSA-N -1 0 237.255 1.043 50 0 BDAARM CCC(CC)[C@H](C(=O)[O-])N1CCOCC1 ZINC000041049882 384175136 /nfs/dbraw/zinc/17/51/36/384175136.db2.gz TXDUCGUOBULJKP-SNVBAGLBSA-N -1 0 215.293 1.208 50 0 biogenic BDAARM C[C@](O)(C(=O)[O-])c1ccccc1C(F)(F)F ZINC000040733746 384162621 /nfs/dbraw/zinc/16/26/21/384162621.db2.gz ALXYARRENNXGBT-SECBINFHSA-N -1 0 234.173 1.998 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccccn2)C1 ZINC000071405198 384164933 /nfs/dbraw/zinc/16/49/33/384164933.db2.gz ABPQPZVEEIOCGY-IUCAKERBSA-N -1 0 234.255 1.521 50 0 BDAARM O=S(=O)(c1ccccc1[O-])N1CCCCC1 ZINC000071550683 384170624 /nfs/dbraw/zinc/17/06/24/384170624.db2.gz AMABMYYCOCDQBA-UHFFFAOYSA-N -1 0 241.312 1.567 50 0 BDAARM Cc1c(Br)ccnc1C(=O)[O-] ZINC000071864101 384183614 /nfs/dbraw/zinc/18/36/14/384183614.db2.gz NBJMGJHLRQKYKX-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM O=C([O-])COc1ccc(-c2csnn2)cc1 ZINC000072324011 384207968 /nfs/dbraw/zinc/20/79/68/384207968.db2.gz ATIGNJDSYXLIRT-UHFFFAOYSA-N -1 0 236.252 1.669 50 0 BDAARM O=C([O-])C[C@@](O)(c1ccco1)C(F)(F)F ZINC000009458205 384253768 /nfs/dbraw/zinc/25/37/68/384253768.db2.gz GAAVCWCVXAPSKM-SSDOTTSWSA-N -1 0 224.134 1.504 50 0 BDAARM O=C([O-])C1(CC(=O)N2CCCC2)CCCC1 ZINC000009482998 384255473 /nfs/dbraw/zinc/25/54/73/384255473.db2.gz FGPJYONSNQPOSL-UHFFFAOYSA-N -1 0 225.288 1.644 50 0 BDAARM O=C([O-])Cn1nc(C2CC2)c2cccnc21 ZINC000012395215 384315757 /nfs/dbraw/zinc/31/57/57/384315757.db2.gz XDJRMHRPJVGPIW-UHFFFAOYSA-N -1 0 217.228 1.393 50 0 BDAARM Cc1ccoc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097009348 384280375 /nfs/dbraw/zinc/28/03/75/384280375.db2.gz NFWGEIBAUICEQY-BDAKNGLRSA-N -1 0 237.255 1.571 50 0 BDAARM CO[C@](C)([C@@H](C)N=c1nc(C)[n-]s1)C1CC1 ZINC000408521369 384286974 /nfs/dbraw/zinc/28/69/74/384286974.db2.gz QXCGNNDMKKDRHJ-RDDDGLTNSA-N -1 0 241.360 1.884 50 0 BDAARM CC(C)[C@@](C)(NC(=O)c1cccnc1)C(=O)[O-] ZINC000097036330 384293506 /nfs/dbraw/zinc/29/35/06/384293506.db2.gz OQQPUWXAPYXYNQ-GFCCVEGCSA-N -1 0 236.271 1.311 50 0 BDAARM C[C@@H]1C[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000097036703 384293518 /nfs/dbraw/zinc/29/35/18/384293518.db2.gz NZUZZTOOBFSNBL-BXKDBHETSA-N -1 0 247.294 1.842 50 0 BDAARM CC(C)(C)OC(=O)N1CC(OCCC(=O)[O-])C1 ZINC000095218303 384368677 /nfs/dbraw/zinc/36/86/77/384368677.db2.gz XDDIYUUNSUWZJX-UHFFFAOYSA-N -1 0 245.275 1.097 50 0 BDAARM O=C([O-])CCCc1nnc2ccccn21 ZINC000013690889 384369395 /nfs/dbraw/zinc/36/93/95/384369395.db2.gz UHLKIVSJCCBXFD-UHFFFAOYSA-N -1 0 205.217 1.137 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)[O-])OC1 ZINC000095743017 384393810 /nfs/dbraw/zinc/39/38/10/384393810.db2.gz NROSRTMHTJHLLE-YUMQZZPRSA-N -1 0 245.275 1.143 50 0 BDAARM O=C([O-])c1c(F)nccc1Br ZINC000095628499 384383303 /nfs/dbraw/zinc/38/33/03/384383303.db2.gz JHWSPGKURCYLMN-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM Cc1n[nH]c(C)c1/C=C/c1cc(C(=O)[O-])ncn1 ZINC000134672008 384384993 /nfs/dbraw/zinc/38/49/93/384384993.db2.gz SAPJBXGAXFHKTL-ONEGZZNKSA-N -1 0 244.254 1.685 50 0 BDAARM O=C([O-])CCCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000023068775 384386698 /nfs/dbraw/zinc/38/66/98/384386698.db2.gz PDTMETFOBGFEEU-DTORHVGOSA-N -1 0 239.271 1.026 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1cc(C)cc(C)c1 ZINC000015828680 384446134 /nfs/dbraw/zinc/44/61/34/384446134.db2.gz LHEVSDDYNAFXNS-UHFFFAOYSA-N -1 0 231.255 1.891 50 0 BDAARM C[C@@H](CN(C(=O)C1CCC1)C1CC1)C(=O)[O-] ZINC000097231845 384462669 /nfs/dbraw/zinc/46/26/69/384462669.db2.gz ZVMUPWUWWIALSW-QMMMGPOBSA-N -1 0 225.288 1.498 50 0 BDAARM CC(C)(C)OC(=O)N1CCCC=C1C(=O)[O-] ZINC000135752558 384464487 /nfs/dbraw/zinc/46/44/87/384464487.db2.gz RPPBLWLQRNXEBO-UHFFFAOYSA-N -1 0 227.260 1.986 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccco1 ZINC000097018234 384498715 /nfs/dbraw/zinc/49/87/15/384498715.db2.gz HFXUEKSKWMMRHT-LLVKDONJSA-N -1 0 225.244 1.653 50 0 BDAARM O=C([O-])[C@H]1Cc2cc(Cl)ccc2C(=O)O1 ZINC000011612451 384491699 /nfs/dbraw/zinc/49/16/99/384491699.db2.gz DVIYHAUVAWYWJW-MRVPVSSYSA-N -1 0 226.615 1.506 50 0 BDAARM O=C([O-])CCn1cnc2cc(F)c(F)cc21 ZINC000019408003 384519342 /nfs/dbraw/zinc/51/93/42/384519342.db2.gz FVQRKYMRDLFRFR-UHFFFAOYSA-N -1 0 226.182 1.789 50 0 BDAARM CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000019414547 384521919 /nfs/dbraw/zinc/52/19/19/384521919.db2.gz SPCBMHGUHKLVLV-UHFFFAOYSA-N -1 0 249.675 1.410 50 0 BDAARM O=C([O-])[C@@H]1CCc2nc(N3CCCC3)ncc2C1 ZINC000097673567 384542007 /nfs/dbraw/zinc/54/20/07/384542007.db2.gz MKAFQKFYQXVJNB-SECBINFHSA-N -1 0 247.298 1.266 50 0 BDAARM O=C([O-])Cc1coc(-c2ccccc2)n1 ZINC000049563542 384550351 /nfs/dbraw/zinc/55/03/51/384550351.db2.gz GHGUBEHGXLMGTM-UHFFFAOYSA-N -1 0 203.197 1.969 50 0 BDAARM O=C([O-])CCc1nnc(-c2cccnc2)o1 ZINC000019780305 384537895 /nfs/dbraw/zinc/53/78/95/384537895.db2.gz KMYLTZJABUXLCQ-UHFFFAOYSA-N -1 0 219.200 1.149 50 0 BDAARM Cc1ocnc1C(=O)N[C@@](C)(C(=O)[O-])C(C)C ZINC000097036318 384562659 /nfs/dbraw/zinc/56/26/59/384562659.db2.gz JRZSKEPONKHPQM-LLVKDONJSA-N -1 0 240.259 1.212 50 0 BDAARM CC(=O)N/C(=C/c1ccccc1)C(=O)[O-] ZINC000000078599 384615468 /nfs/dbraw/zinc/61/54/68/384615468.db2.gz XODAOBAZOQSFDS-JXMROGBWSA-N -1 0 205.213 1.248 50 0 biogenic BDAARM C[C@H](NC(=O)NCc1cccs1)C(=O)[O-] ZINC000005177837 384632159 /nfs/dbraw/zinc/63/21/59/384632159.db2.gz IVVJGFLQVZDJEV-LURJTMIESA-N -1 0 228.273 1.020 50 0 BDAARM Nc1cccnc1NCc1ccc(C(=O)[O-])cc1 ZINC000021020932 384645602 /nfs/dbraw/zinc/64/56/02/384645602.db2.gz FWRPELRETWATEG-UHFFFAOYSA-N -1 0 243.266 1.974 50 0 BDAARM CC(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000021959787 384709965 /nfs/dbraw/zinc/70/99/65/384709965.db2.gz ZKXNUJJKVJQNHB-QMMMGPOBSA-N -1 0 208.213 1.741 50 0 BDAARM CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000021969040 384712640 /nfs/dbraw/zinc/71/26/40/384712640.db2.gz MSJXONVQCMKJDI-UHFFFAOYSA-N -1 0 249.675 1.410 50 0 BDAARM O=C([O-])CN(C(=O)C1CC=CC1)C1CC1 ZINC000082865976 384743782 /nfs/dbraw/zinc/74/37/82/384743782.db2.gz KRFBORNGHQJIGZ-UHFFFAOYSA-N -1 0 209.245 1.028 50 0 BDAARM CCOCCN(C[C@@H](C)C(=O)[O-])C(=O)C(C)C ZINC000089986960 384794218 /nfs/dbraw/zinc/79/42/18/384794218.db2.gz SXFOXJDBPAYBBD-SNVBAGLBSA-N -1 0 245.319 1.228 50 0 BDAARM O=C([O-])COc1ccc(Cl)cc1O ZINC000085223864 384927622 /nfs/dbraw/zinc/92/76/22/384927622.db2.gz IJMOEYYLLVJVAS-UHFFFAOYSA-N -1 0 202.593 1.509 50 0 BDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000057954772 384972950 /nfs/dbraw/zinc/97/29/50/384972950.db2.gz YAFCYESBJWJEMX-KOLCDFICSA-N -1 0 237.230 1.430 50 0 BDAARM COCc1ncc(Br)c(C(=O)[O-])n1 ZINC000058041942 384979715 /nfs/dbraw/zinc/97/97/15/384979715.db2.gz CCDRTBDMOTYRNT-UHFFFAOYSA-N -1 0 247.048 1.084 50 0 BDAARM Cc1nc(C(=O)[O-])ccc1Br ZINC000059025098 385036093 /nfs/dbraw/zinc/03/60/93/385036093.db2.gz UXKSXZKZOWOMKC-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM O=C1Nc2cc(F)c(F)c(F)c2C1=O ZINC000061117840 385109471 /nfs/dbraw/zinc/10/94/71/385109471.db2.gz QWDKZDRPORBMKV-UHFFFAOYSA-N -1 0 201.103 1.239 50 0 BDAARM O=Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000031973652 385115443 /nfs/dbraw/zinc/11/54/43/385115443.db2.gz SKBRIWPGEGSGJR-MRVPVSSYSA-N -1 0 223.228 1.393 50 0 BDAARM O=C([O-])c1ccccc1-c1nc(Cl)n[nH]1 ZINC000061715007 385135820 /nfs/dbraw/zinc/13/58/20/385135820.db2.gz QBDVXAISXBSKGK-UHFFFAOYSA-N -1 0 223.619 1.823 50 0 BDAARM O=C([O-])Cn1sc2ccccc2c1=O ZINC000031776020 385103738 /nfs/dbraw/zinc/10/37/38/385103738.db2.gz JNNXIBWXEGAIMV-UHFFFAOYSA-N -1 0 209.226 1.148 50 0 BDAARM CC(C)(C)[S@@](=O)C=C([O-])c1ccccn1 ZINC000044125741 385194425 /nfs/dbraw/zinc/19/44/25/385194425.db2.gz NKLDRRLRYLDDPG-OAHLLOKOSA-N -1 0 225.313 1.812 50 0 BDAARM O=C(CC1CCCC1)NC1(C(=O)[O-])CC1 ZINC000096424759 385165710 /nfs/dbraw/zinc/16/57/10/385165710.db2.gz ZOYABLOVVIRWTK-UHFFFAOYSA-N -1 0 211.261 1.300 50 0 BDAARM CC(C)[C@@]12C[C@@H](C(=O)O1)[C@@H](C(=O)[O-])CC2 ZINC000000434672 385278784 /nfs/dbraw/zinc/27/87/84/385278784.db2.gz IXNJPLJCFRKZMH-VAOFZXAKSA-N -1 0 212.245 1.439 50 0 biogenic BDAARM O=C([O-])C[C@H]1CC(c2ccccc2)=NO1 ZINC000034481205 385282029 /nfs/dbraw/zinc/28/20/29/385282029.db2.gz MUFJHYRCIHHATF-SECBINFHSA-N -1 0 205.213 1.654 50 0 in-man BDAARM O=C([O-])Cn1ccnc1-c1ccccc1 ZINC000034797456 385291197 /nfs/dbraw/zinc/29/11/97/385291197.db2.gz IQDMXDZDPSAAPW-UHFFFAOYSA-N -1 0 202.213 1.635 50 0 BDAARM CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000156001818 385428669 /nfs/dbraw/zinc/42/86/69/385428669.db2.gz JOQRZQJSDFDNNR-WDEREUQCSA-N -1 0 248.282 1.118 50 0 BDAARM O=C([O-])c1cc(=O)n2nc3cccc(F)c3c2[nH]1 ZINC000252549058 385654726 /nfs/dbraw/zinc/65/47/26/385654726.db2.gz QQXWTNSMBNOTCT-UHFFFAOYSA-N -1 0 247.185 1.425 50 0 BDAARM O=C([O-])COc1cccnc1Br ZINC000038541142 385667987 /nfs/dbraw/zinc/66/79/87/385667987.db2.gz UEKYGQXOQQMBGC-UHFFFAOYSA-N -1 0 232.033 1.308 50 0 BDAARM CC(C)c1occc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000263193014 385941494 /nfs/dbraw/zinc/94/14/94/385941494.db2.gz TVTCARMMRSBLLD-ZETCQYMHSA-N -1 0 225.244 1.606 50 0 BDAARM CC(C)(C)OC(=O)N1CCC(=O)[C@]1(C)C(=O)[O-] ZINC000263624182 386157445 /nfs/dbraw/zinc/15/74/45/386157445.db2.gz OCUHXQRCNPAURP-LLVKDONJSA-N -1 0 243.259 1.040 50 0 BDAARM COC(=O)c1cc(C)c(C(=O)[O-])c(C)c1 ZINC000001599876 386383078 /nfs/dbraw/zinc/38/30/78/386383078.db2.gz XOCGGTZMYAMKCN-UHFFFAOYSA-N -1 0 208.213 1.788 50 0 BDAARM Cc1nnc(CN2CCCC[C@@H]2C(=O)[O-])s1 ZINC000534584992 386644328 /nfs/dbraw/zinc/64/43/28/386644328.db2.gz BDAZUQYUAKUZCM-MRVPVSSYSA-N -1 0 241.316 1.286 50 0 BDAARM Cc1ccc(C)c(CC(=O)NC(C)(C)C(=O)[O-])c1 ZINC000053141878 386717348 /nfs/dbraw/zinc/71/73/48/386717348.db2.gz LZIXFCYHJUQBDT-UHFFFAOYSA-N -1 0 249.310 1.825 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1cccnc1 ZINC000037435363 386727097 /nfs/dbraw/zinc/72/70/97/386727097.db2.gz VLNRDOOILPXAOE-NSHDSACASA-N -1 0 248.282 1.090 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000071289199 386831357 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ZINC000009237228 342810815 /nfs/dbraw/zinc/81/08/15/342810815.db2.gz JCDAFVMXCOGHRL-UHFFFAOYSA-N -1 0 205.217 1.540 50 0 BDAARM COc1ccc(OC)c(NC(=O)CC(=O)[O-])c1 ZINC000009304521 342812305 /nfs/dbraw/zinc/81/23/05/342812305.db2.gz ZMRQBSALBQMCCZ-UHFFFAOYSA-N -1 0 239.227 1.117 50 0 BDAARM O=C([O-])C/C=C\C(=O)Nc1ccccc1 ZINC000008729799 342803708 /nfs/dbraw/zinc/80/37/08/342803708.db2.gz POGLAMTWTLZJCW-DAXSKMNVSA-N -1 0 205.213 1.656 50 0 BDAARM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=O)c12 ZINC000009066272 342807616 /nfs/dbraw/zinc/80/76/16/342807616.db2.gz PNKDOXHMMQRMAG-UHFFFAOYSA-N -1 0 224.241 1.712 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H](c2cc(F)ccc2F)N1 ZINC000011766299 342843262 /nfs/dbraw/zinc/84/32/62/342843262.db2.gz MYTWAZGPELUBSV-DTWKUNHWSA-N -1 0 245.250 1.753 50 0 BDAARM Cc1ccc(Cn2cc(C(=O)[O-])cn2)cc1 ZINC000012357808 342849815 /nfs/dbraw/zinc/84/98/15/342849815.db2.gz HYBRAUPLUXQZEG-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM Nc1nc(=O)[n-]c(C23CC4CC(CC(C4)C2)C3)n1 ZINC000012362961 342850198 /nfs/dbraw/zinc/85/01/98/342850198.db2.gz DUAQZQPORVSDBZ-UHFFFAOYSA-N -1 0 246.314 1.627 50 0 BDAARM CCCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000011891067 342844288 /nfs/dbraw/zinc/84/42/88/342844288.db2.gz YXQLJEQFZUMUPB-GFCCVEGCSA-N -1 0 249.310 1.989 50 0 BDAARM O=C([O-])[C@](F)(Br)C(F)(F)F ZINC000012953833 342861959 /nfs/dbraw/zinc/86/19/59/342861959.db2.gz QUWQIQACQOVGDT-UWTATZPHSA-N -1 0 224.935 1.694 50 0 BDAARM CC(=O)N/C(=C/c1ccc(C)cc1)C(=O)[O-] ZINC000013128657 342864013 /nfs/dbraw/zinc/86/40/13/342864013.db2.gz XLKTTWGSTMQVIL-YRNVUSSQSA-N -1 0 219.240 1.557 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)c1ccncc1 ZINC000034973966 342882583 /nfs/dbraw/zinc/88/25/83/342882583.db2.gz XFDYHPBYZYAHSL-UHFFFAOYSA-N -1 0 222.244 1.018 50 0 BDAARM Cn1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000015933465 342903278 /nfs/dbraw/zinc/90/32/78/342903278.db2.gz UMSNBPXXRMGAKT-IUCAKERBSA-N -1 0 249.270 1.026 50 0 BDAARM CC[C@@H](C)[C@H](NC(=O)c1ccco1)C(=O)[O-] ZINC000012340746 346893410 /nfs/dbraw/zinc/89/34/10/346893410.db2.gz KUVZWSNPIJOQJP-APPZFPTMSA-N -1 0 225.244 1.509 50 0 BDAARM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000019258937 342944683 /nfs/dbraw/zinc/94/46/83/342944683.db2.gz BGYPWZQLAHUGGX-RKDXNWHRSA-N -1 0 213.277 1.356 50 0 BDAARM CC(=O)Nc1ccccc1OCCCC(=O)[O-] ZINC000019395338 342947469 /nfs/dbraw/zinc/94/74/69/342947469.db2.gz QDSRRFGMJNVAGK-UHFFFAOYSA-N -1 0 237.255 1.889 50 0 BDAARM O=C([O-])c1ccnc(NCc2ccco2)c1 ZINC000019844584 342959597 /nfs/dbraw/zinc/95/95/97/342959597.db2.gz ZEOUBMGRYFFCPY-UHFFFAOYSA-N -1 0 218.212 1.985 50 0 BDAARM O=C([O-])c1cc(=O)n(-c2ccc(Cl)cc2)[nH]1 ZINC000020134351 342971123 /nfs/dbraw/zinc/97/11/23/342971123.db2.gz BTUDGWWRQVTVDT-UHFFFAOYSA-N -1 0 238.630 1.517 50 0 BDAARM O=C([O-])c1nccn1Cc1ccccc1 ZINC000019941720 342963956 /nfs/dbraw/zinc/96/39/56/342963956.db2.gz QEEBXPXPYKOARL-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c(F)c1 ZINC000020283082 342980351 /nfs/dbraw/zinc/98/03/51/342980351.db2.gz JVHLLKSGJDLKIZ-QMMMGPOBSA-N -1 0 237.230 1.572 50 0 BDAARM Nc1cccc(OC(F)(F)F)c1C(=O)[O-] ZINC000020357731 342983184 /nfs/dbraw/zinc/98/31/84/342983184.db2.gz GPGNUJGCHLXOIW-UHFFFAOYSA-N -1 0 221.134 1.866 50 0 BDAARM O=C([O-])c1csc(CN2CCCCC2)n1 ZINC000020438910 342985339 /nfs/dbraw/zinc/98/53/39/342985339.db2.gz LHXYAUFAFIOKKD-UHFFFAOYSA-N -1 0 226.301 1.827 50 0 BDAARM Cc1[nH]c(-c2cccnc2)nc1C(=O)[O-] ZINC000020445616 342985724 /nfs/dbraw/zinc/98/57/24/342985724.db2.gz VRHSEUBQEPIPNJ-UHFFFAOYSA-N -1 0 203.201 1.478 50 0 BDAARM Cn1cc(C(=O)[O-])c(=O)c2cc(F)ccc21 ZINC000022236110 343045295 /nfs/dbraw/zinc/04/52/95/343045295.db2.gz DKICYNJXAWAGQJ-UHFFFAOYSA-N -1 0 221.187 1.376 50 0 BDAARM CC(C)(NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000030954603 343213524 /nfs/dbraw/zinc/21/35/24/343213524.db2.gz UFMSVCROZJXPCF-UHFFFAOYSA-N -1 0 241.674 1.933 50 0 BDAARM O=C([O-])[C@H](O)Cc1c(F)cccc1Cl ZINC000032013367 343228288 /nfs/dbraw/zinc/22/82/88/343228288.db2.gz ZNDHYXRNPRMLHH-MRVPVSSYSA-N -1 0 218.611 1.467 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1C=CCC[C@H]1C(=O)[O-] ZINC000032099067 343229148 /nfs/dbraw/zinc/22/91/48/343229148.db2.gz QWRRLPZJKAWOFL-BDAKNGLRSA-N -1 0 241.287 1.931 50 0 BDAARM O=C([O-])[C@@H]1CS[C@]23CCCC[C@@H]2CC(=O)N13 ZINC000032629187 343239495 /nfs/dbraw/zinc/23/94/95/343239495.db2.gz XIUGRKJHDQXGDS-VHSKPIJISA-N -1 0 241.312 1.305 50 0 BDAARM COc1ccc(CN2CC[C@H]2C(=O)[O-])cc1 ZINC000006405400 343258183 /nfs/dbraw/zinc/25/81/83/343258183.db2.gz RUHKUSSRDNLLTL-NSHDSACASA-N -1 0 221.256 1.354 50 0 BDAARM Nc1ccc(Br)cc1-c1nn[nH]n1 ZINC000034542985 343274601 /nfs/dbraw/zinc/27/46/01/343274601.db2.gz CATSHJCKVONEFX-UHFFFAOYSA-N -1 0 240.064 1.211 50 0 BDAARM O=C1[N-]S(=O)(=O)c2cccc3cccc1c32 ZINC000034580137 343275351 /nfs/dbraw/zinc/27/53/51/343275351.db2.gz JIBDPKQMYWLNGM-UHFFFAOYSA-N -1 0 233.248 1.847 50 0 BDAARM Cn1cc(C(=O)[O-])c(-c2ccncc2)n1 ZINC000036894490 343326697 /nfs/dbraw/zinc/32/66/97/343326697.db2.gz SXFFRRVYLAKLES-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM O=C([O-])c1nn2ccccc2c1Br ZINC000035269959 343291492 /nfs/dbraw/zinc/29/14/92/343291492.db2.gz NGRRVZUNAISFSH-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM Cc1c2ccc(F)cc2oc(=O)c1C(=O)[O-] ZINC000038339490 343374305 /nfs/dbraw/zinc/37/43/05/343374305.db2.gz VGRKTBCYYSNKBO-UHFFFAOYSA-N -1 0 222.171 1.939 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000038589742 343377384 /nfs/dbraw/zinc/37/73/84/343377384.db2.gz QQVADMMBTIQOOR-LLVKDONJSA-N -1 0 233.267 1.510 50 0 BDAARM C[C@H](CC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000037453860 343345496 /nfs/dbraw/zinc/34/54/96/343345496.db2.gz XGMBQBFMNKULBV-SSDOTTSWSA-N -1 0 233.223 1.146 50 0 BDAARM Nc1cc(C(=O)[O-])ccc1OCC(F)F ZINC000037756316 343354253 /nfs/dbraw/zinc/35/42/53/343354253.db2.gz OUZDZKUMDKRODS-UHFFFAOYSA-N -1 0 217.171 1.611 50 0 BDAARM COc1c(C)cc(C(C)=O)cc1C(=O)[O-] ZINC000039368456 343389236 /nfs/dbraw/zinc/38/92/36/343389236.db2.gz OTESNYGJNHRVMY-UHFFFAOYSA-N -1 0 208.213 1.904 50 0 BDAARM O=C([O-])CC1(CC(=O)NCC2CC2)CCCC1 ZINC000040223871 343398542 /nfs/dbraw/zinc/39/85/42/343398542.db2.gz DUDPCAJUVVVSSN-UHFFFAOYSA-N -1 0 239.315 1.938 50 0 BDAARM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000042694809 343448252 /nfs/dbraw/zinc/44/82/52/343448252.db2.gz CRADIPLTWJTMTH-SSDOTTSWSA-N -1 0 217.265 1.574 50 0 BDAARM COc1cc(Cl)ccc1OCC(=O)[O-] ZINC000049582125 343603653 /nfs/dbraw/zinc/60/36/53/343603653.db2.gz PVUWZUAZEYECBS-UHFFFAOYSA-N -1 0 216.620 1.812 50 0 BDAARM O=S(=O)([O-])CCc1ccc(F)cc1 ZINC000049582067 343603991 /nfs/dbraw/zinc/60/39/91/343603991.db2.gz PNIKRMYUGJUQJV-UHFFFAOYSA-N -1 0 204.222 1.256 50 0 BDAARM COC(=O)C12CCC(C(=O)[O-])(CC1)CCC2 ZINC000059242218 343706876 /nfs/dbraw/zinc/70/68/76/343706876.db2.gz ZUZBTCVOLMTOBD-UHFFFAOYSA-N -1 0 226.272 1.975 50 0 BDAARM O=C([O-])c1cc2ccccc2c(=O)s1 ZINC000000079372 344243577 /nfs/dbraw/zinc/24/35/77/344243577.db2.gz MFYRORXZDLTDBJ-UHFFFAOYSA-N -1 0 206.222 1.960 50 0 biogenic BDAARM CCn1c(=O)cc([O-])c2cc3c(cc21)OCO3 ZINC000104710229 344461172 /nfs/dbraw/zinc/46/11/72/344461172.db2.gz JNHAMWSIXRPXMP-UHFFFAOYSA-N -1 0 233.223 1.456 50 0 BDAARM CN(C)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000146284 344565600 /nfs/dbraw/zinc/56/56/00/344565600.db2.gz YVQGKOJJBOYTDX-BQYQJAHWSA-N -1 0 234.255 1.332 50 0 BDAARM Nc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000000241848 344658035 /nfs/dbraw/zinc/65/80/35/344658035.db2.gz VFUKLPQSDBEMBS-UHFFFAOYSA-N -1 0 208.217 1.072 50 0 BDAARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])c(O)c1 ZINC000033421145 344740786 /nfs/dbraw/zinc/74/07/86/344740786.db2.gz NYMVZACXRKNURW-SNAWJCMRSA-N -1 0 221.212 1.280 50 0 BDAARM CC(C)n1ncc2cc(C=CC(=O)[O-])c(=O)[nH]c21 ZINC000033573515 344850705 /nfs/dbraw/zinc/85/07/05/344850705.db2.gz GARHFICJXPAVMG-ARJAWSKDSA-N -1 0 247.254 1.403 50 0 BDAARM O=C([O-])Cc1cc(F)ncc1C(F)(F)F ZINC000238685858 345108886 /nfs/dbraw/zinc/10/88/86/345108886.db2.gz BAMAKAGFPQQUFJ-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM O=C([O-])Cc1ccc(C(F)(F)F)nc1F ZINC000238689743 345112786 /nfs/dbraw/zinc/11/27/86/345112786.db2.gz IXFRPPHVAKSJRS-UHFFFAOYSA-N -1 0 223.125 1.867 50 0 BDAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC000012398971 178869821 /nfs/dbraw/zinc/86/98/21/178869821.db2.gz VMLYHAMUXCKCLJ-JTQLQIEISA-N -1 0 205.213 1.897 50 0 BDAARM Cc1noc(C)c1-c1noc(C)c1C(=O)[O-] ZINC000114812488 537901526 /nfs/dbraw/zinc/90/15/26/537901526.db2.gz POLGKDVALGSQEY-UHFFFAOYSA-N -1 0 222.200 1.953 50 0 BDAARM Cc1ccc2ncnc(N[C@H](C)C(=O)[O-])c2c1 ZINC000000122950 178985089 /nfs/dbraw/zinc/98/50/89/178985089.db2.gz XLROUBUFLBZGKO-MRVPVSSYSA-N -1 0 231.255 1.823 50 0 BDAARM Cc1ccsc1CNC(=O)CCC(=O)[O-] ZINC000000147817 346401289 /nfs/dbraw/zinc/40/12/89/346401289.db2.gz YTZDJWXZPIYUGQ-UHFFFAOYSA-N -1 0 227.285 1.538 50 0 BDAARM O=C1[N-]C(=O)/C(=C\c2ccccc2F)N1 ZINC000000072813 346403469 /nfs/dbraw/zinc/40/34/69/346403469.db2.gz XFXSDLABCZVLRU-VMPITWQZSA-N -1 0 206.176 1.006 50 0 BDAARM COc1cc(C(=O)[O-])ccc1CCNC(C)=O ZINC000148833145 346464683 /nfs/dbraw/zinc/46/46/83/346464683.db2.gz RJQVRIDYZIXUPY-UHFFFAOYSA-N -1 0 237.255 1.072 50 0 BDAARM Cc1cccc([C@H]2N[C@H](C(=O)[O-])CS2)c1 ZINC000000240226 179204689 /nfs/dbraw/zinc/20/46/89/179204689.db2.gz DGIGORABYWFPSU-UWVGGRQHSA-N -1 0 223.297 1.783 50 0 BDAARM Cc1ccccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062912679 179248216 /nfs/dbraw/zinc/24/82/16/179248216.db2.gz URQNGFCWCWAUKO-CQSZACIVSA-N -1 0 247.294 1.932 50 0 BDAARM Cc1ccccc1CC(=O)NC1(C(=O)[O-])CC1 ZINC000203653623 179257005 /nfs/dbraw/zinc/25/70/05/179257005.db2.gz ZMACSLRERXGPNK-UHFFFAOYSA-N -1 0 233.267 1.271 50 0 BDAARM Cc1ccccc1CN1C[C@H](C(=O)[O-])CC1=O ZINC000009235636 179276151 /nfs/dbraw/zinc/27/61/51/179276151.db2.gz PURRCQVBQRILJX-LLVKDONJSA-N -1 0 233.267 1.428 50 0 BDAARM Cc1ccn(-c2ccc(C(=O)[O-])cc2)n1 ZINC000000938937 179399800 /nfs/dbraw/zinc/39/98/00/179399800.db2.gz DYLOJVSWTZSAAA-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1cnc(NC(=O)C[C@H](C)CC(=O)[O-])s1 ZINC000061834420 179626294 /nfs/dbraw/zinc/62/62/94/179626294.db2.gz CNQNIGSEQXWGPM-LURJTMIESA-N -1 0 242.300 1.891 50 0 BDAARM CN(C)c1ccc(-n2nn[n-]c2=S)cc1 ZINC000000098764 490238921 /nfs/dbraw/zinc/23/89/21/490238921.db2.gz IURONGQHOPTYGU-UHFFFAOYSA-N -1 0 221.289 1.017 50 0 BDAARM Cc1nc(Sc2ncccc2C(=O)[O-])n[nH]1 ZINC000017118018 179839320 /nfs/dbraw/zinc/83/93/20/179839320.db2.gz ZCNFAAGMHFEFCF-UHFFFAOYSA-N -1 0 236.256 1.358 50 0 BDAARM Cc1nc(SC(F)F)[n-]c(=O)c1CCO ZINC000001405989 180029821 /nfs/dbraw/zinc/02/98/21/180029821.db2.gz HYKQWQMSNADVIE-UHFFFAOYSA-N -1 0 236.243 1.340 50 0 BDAARM Cc1nc(NC(=O)C2CC2)sc1C(=O)[O-] ZINC000005000247 180005210 /nfs/dbraw/zinc/00/52/10/180005210.db2.gz INLJLDHNDACXKO-UHFFFAOYSA-N -1 0 226.257 1.498 50 0 BDAARM Cc1nc2cc(NC(=O)CCC(=O)[O-])ccc2o1 ZINC000035135556 180081043 /nfs/dbraw/zinc/08/10/43/180081043.db2.gz SWFJQFNDJBWUOR-UHFFFAOYSA-N -1 0 248.238 1.940 50 0 BDAARM O=Cc1c(F)cncc1-c1ccc(C(=O)[O-])o1 ZINC000725261055 538085611 /nfs/dbraw/zinc/08/56/11/538085611.db2.gz JHELEPIWEHMJND-UHFFFAOYSA-N -1 0 235.170 1.991 50 0 BDAARM Cc1nccn1[C@H](C(=O)[O-])c1ccccc1 ZINC000013483669 180272228 /nfs/dbraw/zinc/27/22/28/180272228.db2.gz YFYZIRGMDHGXCD-NSHDSACASA-N -1 0 216.240 1.866 50 0 BDAARM CC(C)(C)CN1CSC[C@@H]1C(=O)[O-] ZINC000040449119 350365112 /nfs/dbraw/zinc/36/51/12/350365112.db2.gz KHXAGJRPHYTRMT-SSDOTTSWSA-N -1 0 203.307 1.492 50 0 BDAARM Cc1nn(-c2cccc(Cl)c2)nc1C(=O)[O-] ZINC000003416013 180328760 /nfs/dbraw/zinc/32/87/60/180328760.db2.gz QCHCGRZRBHMDMN-UHFFFAOYSA-N -1 0 237.646 1.927 50 0 BDAARM Cc1nn(-c2ccccn2)c(C)c1C(=O)[O-] ZINC000022176590 180330364 /nfs/dbraw/zinc/33/03/64/180330364.db2.gz VWEFKMQPNDCLII-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1nn(C)c(Br)c1C(=O)[O-] ZINC000082367876 180333162 /nfs/dbraw/zinc/33/31/62/180333162.db2.gz PTWGWRNOGQENEI-UHFFFAOYSA-N -1 0 219.038 1.189 50 0 BDAARM Cc1nn(C2CCOCC2)cc1C(=O)[O-] ZINC000070706558 180384607 /nfs/dbraw/zinc/38/46/07/180384607.db2.gz UTLISWXTBXEDDV-UHFFFAOYSA-N -1 0 210.233 1.241 50 0 BDAARM Cc1nn(CC(=O)[O-])cc1Br ZINC000000215752 180386264 /nfs/dbraw/zinc/38/62/64/180386264.db2.gz KJRXQTJYEXJDQW-UHFFFAOYSA-N -1 0 219.038 1.039 50 0 BDAARM Cc1nnc(S[C@@H](C)C(=O)[O-])s1 ZINC000000412425 180439758 /nfs/dbraw/zinc/43/97/58/180439758.db2.gz GLGPJFLSHUJPNM-VKHMYHEASA-N -1 0 204.276 1.412 50 0 BDAARM CC(C)[C@H](NC(=O)NC1CCCC1)C(=O)[O-] ZINC000000545098 191117390 /nfs/dbraw/zinc/11/73/90/191117390.db2.gz VLRYCPMUJPANPV-VIFPVBQESA-N -1 0 228.292 1.337 50 0 BDAARM CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)[O-])C1 ZINC000306704074 350851938 /nfs/dbraw/zinc/85/19/38/350851938.db2.gz NBZXLLZSQJEBME-ZKCHVHJHSA-N -1 0 229.276 1.622 50 0 BDAARM Cc1oc(C)c(C(=O)NC[C@H](C)C(=O)[O-])c1C ZINC000054333287 180530816 /nfs/dbraw/zinc/53/08/16/180530816.db2.gz WFJKQZMDYDZPPH-LURJTMIESA-N -1 0 239.271 1.655 50 0 BDAARM CC(C)c1ccc(CN=Nc2nnn[n-]2)cc1 ZINC000005847826 351263113 /nfs/dbraw/zinc/26/31/13/351263113.db2.gz ZWNHKKXTBZGNLD-UHFFFAOYSA-N -1 0 230.275 1.769 50 0 BDAARM Cn1cc(-c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000038068796 180627348 /nfs/dbraw/zinc/62/73/48/180627348.db2.gz OYVMRLAXKSOIEV-UHFFFAOYSA-N -1 0 220.203 1.924 50 0 BDAARM [NH3+][C@@H](CCCCCC(=O)[O-])CCCCC(=O)[O-] ZINC000002839271 363080452 /nfs/dbraw/zinc/08/04/52/363080452.db2.gz XYDQDGJOQQAPIM-JTQLQIEISA-N -1 0 245.319 1.994 50 0 biogenic,in-vitro BDAARM CCCCCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000004237847 168664155 /nfs/dbraw/zinc/66/41/55/168664155.db2.gz VHKDTUOUWLJSJT-VIFPVBQESA-N -1 0 213.277 1.500 50 0 BDAARM CCc1ccc2c(c1)C([O-])=CS(=O)(=O)C2 ZINC000039102506 187764662 /nfs/dbraw/zinc/76/46/62/187764662.db2.gz GUWUZKCZQYXBSB-UHFFFAOYSA-N -1 0 224.281 1.360 50 0 BDAARM Cc1c2c(C=O)c[nH]c2ncc1C(=O)[O-] ZINC000044712640 352655721 /nfs/dbraw/zinc/65/57/21/352655721.db2.gz HGLDDCHTXUAXIS-UHFFFAOYSA-N -1 0 204.185 1.382 50 0 BDAARM O=C([O-])[C@H]1O[C@H]1c1ccccc1Br ZINC000067801485 187785998 /nfs/dbraw/zinc/78/59/98/187785998.db2.gz MPYXZBLIAUVRGB-YUMQZZPRSA-N -1 0 243.056 1.974 50 0 BDAARM CC1(C)Cc2[nH]c(=O)c(C(=O)[O-])cc2CS1 ZINC000003984907 187811896 /nfs/dbraw/zinc/81/18/96/187811896.db2.gz XWQIFUQBFLJTTC-UHFFFAOYSA-N -1 0 239.296 1.641 50 0 biogenic BDAARM O=C([O-])c1nc(Br)ccc1F ZINC000085221912 187798277 /nfs/dbraw/zinc/79/82/77/187798277.db2.gz XCYYBWHCNWDFMO-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC000019843492 363205859 /nfs/dbraw/zinc/20/58/59/363205859.db2.gz PRGHTWSNAGRIHL-UHFFFAOYSA-N -1 0 218.212 1.363 50 0 BDAARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccco1 ZINC000004218848 188457233 /nfs/dbraw/zinc/45/72/33/188457233.db2.gz TUMPYVWHXLSDJY-APPZFPTMSA-N -1 0 241.268 1.327 50 0 BDAARM COc1ncc(Br)cc1C(=O)[O-] ZINC000004352712 188458216 /nfs/dbraw/zinc/45/82/16/188458216.db2.gz SJLXURQPRRMPIV-UHFFFAOYSA-N -1 0 232.033 1.551 50 0 BDAARM CC(C)=CCSc1nc(=O)c(C)n[n-]1 ZINC000007348475 188459295 /nfs/dbraw/zinc/45/92/95/188459295.db2.gz FOWOPRPCLANHKT-UHFFFAOYSA-N -1 0 211.290 1.532 50 0 BDAARM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)[O-] ZINC000019978933 188462462 /nfs/dbraw/zinc/46/24/62/188462462.db2.gz RCDXPYXXFNYXKK-ZETCQYMHSA-N -1 0 216.281 1.193 50 0 BDAARM Cc1cccc(NC(=O)/C=C/C(=O)[O-])c1C ZINC000000095708 188452399 /nfs/dbraw/zinc/45/23/99/188452399.db2.gz VELSACLSCVPKNK-VOTSOKGWSA-N -1 0 219.240 1.883 50 0 BDAARM CC(C)C(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000000187389 188453521 /nfs/dbraw/zinc/45/35/21/188453521.db2.gz FTNATMNMRPCXJP-UHFFFAOYSA-N -1 0 223.228 1.685 50 0 biogenic BDAARM CCCCCOCC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000089953462 168725562 /nfs/dbraw/zinc/72/55/62/168725562.db2.gz IPAJFSWVLMZVTJ-VIFPVBQESA-N -1 0 231.292 1.125 50 0 BDAARM CC[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)[O-])O1 ZINC000038763113 358485541 /nfs/dbraw/zinc/48/55/41/358485541.db2.gz HTCUURQJNZBKIA-AATLWQCWSA-N -1 0 216.277 1.416 50 0 BDAARM CC(C)c1onc(-c2nccn2C)c1C(=O)[O-] ZINC000675058259 538481128 /nfs/dbraw/zinc/48/11/28/538481128.db2.gz ZDXOIFPGKPEZGN-UHFFFAOYSA-N -1 0 235.243 1.897 50 0 BDAARM NC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000004426125 181288392 /nfs/dbraw/zinc/28/83/92/181288392.db2.gz XIDBELOIUFHQAW-UHFFFAOYSA-N -1 0 206.028 1.798 50 0 BDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)C1CC(C)C1 ZINC000393812478 357301063 /nfs/dbraw/zinc/30/10/63/357301063.db2.gz YFPGBOISQJAQAU-KYHHOPLUSA-N -1 0 227.304 1.744 50 0 BDAARM O=C([O-])c1cnc(-c2cncc(F)c2)nc1 ZINC000685949140 538892307 /nfs/dbraw/zinc/89/23/07/538892307.db2.gz LELHSYLIHKQTII-UHFFFAOYSA-N -1 0 219.175 1.376 50 0 BDAARM CC(=O)C(=Cc1ccc([O-])c([N+](=O)[O-])c1)C(C)=O ZINC000036026166 360543489 /nfs/dbraw/zinc/54/34/89/360543489.db2.gz JVUISWUIUGFNPB-UHFFFAOYSA-N -1 0 249.222 1.862 50 0 BDAARM CCc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000036974255 361586373 /nfs/dbraw/zinc/58/63/73/361586373.db2.gz FXUNTXREKOAOHH-VIFPVBQESA-N -1 0 237.255 1.531 50 0 BDAARM CCCCO[C@H](C)C(=O)N(CCC)CC(=O)[O-] ZINC000170671697 363999855 /nfs/dbraw/zinc/99/98/55/363999855.db2.gz KDOOEWVZNFWQFQ-SNVBAGLBSA-N -1 0 245.319 1.515 50 0 BDAARM C/C(=C/C(=O)NCCCC(=O)[O-])C1CC1 ZINC000225466532 370769500 /nfs/dbraw/zinc/76/95/00/370769500.db2.gz ZYODSLWEVWORCQ-FPLPWBNLSA-N -1 0 211.261 1.324 50 0 BDAARM O=C([O-])c1c(-c2ncc[nH]2)noc1C1CC1 ZINC000675057396 541462804 /nfs/dbraw/zinc/46/28/04/541462804.db2.gz FXKDSQCFVOVPCT-UHFFFAOYSA-N -1 0 219.200 1.640 50 0 BDAARM Cn1ccnc1-c1noc(C(F)F)c1C(=O)[O-] ZINC000675057325 541462835 /nfs/dbraw/zinc/46/28/35/541462835.db2.gz AVICLSBRHRFRRD-UHFFFAOYSA-N -1 0 243.169 1.711 50 0 BDAARM CC1(C)Cc2c(sc(N)c2C(=O)[O-])CO1 ZINC000002956409 368082329 /nfs/dbraw/zinc/08/23/29/368082329.db2.gz QUNNOUKRRVDLIL-UHFFFAOYSA-N -1 0 227.285 1.880 50 0 BDAARM Cc1cccnc1N1CCC(C(=O)[O-])CC1 ZINC000113365643 370408250 /nfs/dbraw/zinc/40/82/50/370408250.db2.gz QKLBHBJTCBLCEV-UHFFFAOYSA-N -1 0 220.272 1.691 50 0 BDAARM Cn1ccc2cccc(C(=O)[O-])c2c1=O ZINC000095628783 371309885 /nfs/dbraw/zinc/30/98/85/371309885.db2.gz MUZUJNHOVKHARY-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 BDAARM Nc1cc(C(=O)[O-])cc(Br)c1F ZINC000095217895 181678861 /nfs/dbraw/zinc/67/88/61/181678861.db2.gz GLQFRAJMWXKZMH-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM Nc1ccc(Br)c(F)c1C(=O)[O-] ZINC000075926049 181698445 /nfs/dbraw/zinc/69/84/45/181698445.db2.gz NUEJVMJQKLRHCO-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM Nc1cnn(Cc2ccc(C(=O)[O-])s2)c1 ZINC000047474164 181772079 /nfs/dbraw/zinc/77/20/79/181772079.db2.gz VOPPXSLVZWLZOF-UHFFFAOYSA-N -1 0 223.257 1.273 50 0 BDAARM O=C(CS(=O)(=O)[O-])c1ccc(Cl)cc1 ZINC000002826165 182005747 /nfs/dbraw/zinc/00/57/47/182005747.db2.gz LDURQPAFCSQUNG-UHFFFAOYSA-N -1 0 234.660 1.411 50 0 BDAARM O=C([O-])c1cccc(NC(=O)C[C@@H]2CCOC2)c1 ZINC000362753869 182020339 /nfs/dbraw/zinc/02/03/39/182020339.db2.gz VPWLGVYRQPNBKT-VIFPVBQESA-N -1 0 249.266 1.750 50 0 BDAARM O=C([O-])C1(NC(=O)c2cc3ccccc3o2)CC1 ZINC000096424764 182087799 /nfs/dbraw/zinc/08/77/99/182087799.db2.gz ICCCIYOAPRSCCA-UHFFFAOYSA-N -1 0 245.234 1.780 50 0 BDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1 ZINC000070522713 182332884 /nfs/dbraw/zinc/33/28/84/182332884.db2.gz ZLMNTMFXXCAMFO-MNOVXSKESA-N -1 0 233.267 1.670 50 0 BDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2cccs2)C1 ZINC000085006708 182339602 /nfs/dbraw/zinc/33/96/02/182339602.db2.gz CGSRSBMPGZTZOV-YUMQZZPRSA-N -1 0 239.296 1.731 50 0 BDAARM O=C([O-])c1nc[nH]c1C(=O)Nc1ccc(F)cc1 ZINC000000280606 182356653 /nfs/dbraw/zinc/35/66/53/182356653.db2.gz VRQZJKLTBLHHHP-UHFFFAOYSA-N -1 0 249.201 1.499 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccon1 ZINC000028225485 182389152 /nfs/dbraw/zinc/38/91/52/182389152.db2.gz JLJDDHYHKCOKFS-JGVFFNPUSA-N -1 0 238.243 1.504 50 0 BDAARM O=C([O-])c1ncccc1C(=O)Nc1cccnc1 ZINC000006701074 182385704 /nfs/dbraw/zinc/38/57/04/182385704.db2.gz NLRMZVRERYENPE-UHFFFAOYSA-N -1 0 243.222 1.427 50 0 BDAARM O=C([O-])/C=C/c1ccccc1-n1cccn1 ZINC000020527200 182412600 /nfs/dbraw/zinc/41/26/00/182412600.db2.gz JGBSTCIQXRSQLQ-VOTSOKGWSA-N -1 0 214.224 1.970 50 0 BDAARM O=C([O-])Cc1ccc(-n2cccn2)cc1 ZINC000032627914 182490530 /nfs/dbraw/zinc/49/05/30/182490530.db2.gz LFSKFPXFMVLNGR-UHFFFAOYSA-N -1 0 202.213 1.499 50 0 BDAARM O=C([O-])Cc1ccc(N2CCCC2=O)cc1 ZINC000004218276 182491594 /nfs/dbraw/zinc/49/15/94/182491594.db2.gz FAYDWIZOVOAUPK-UHFFFAOYSA-N -1 0 219.240 1.441 50 0 BDAARM O=C([O-])Cc1csc(-c2ncccn2)n1 ZINC000036378535 182493652 /nfs/dbraw/zinc/49/36/52/182493652.db2.gz PNRNCTDRICZVAK-UHFFFAOYSA-N -1 0 221.241 1.227 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccon1 ZINC000028225455 182532156 /nfs/dbraw/zinc/53/21/56/182532156.db2.gz YPJGYFWCFUVDGT-SFYZADRCSA-N -1 0 236.227 1.280 50 0 BDAARM O=C([O-])c1c(F)cncc1Br ZINC000071654880 182548775 /nfs/dbraw/zinc/54/87/75/182548775.db2.gz MKWGICBLFLGJBI-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM O=C([O-])c1ccc(-n2ccc(=O)cc2)cc1 ZINC000000225072 182563670 /nfs/dbraw/zinc/56/36/70/182563670.db2.gz DMFCDYFZHCVIFY-UHFFFAOYSA-N -1 0 215.208 1.536 50 0 BDAARM O=C([O-])c1ccc(O[C@@H]2CCOC2)cc1 ZINC000075133728 182570757 /nfs/dbraw/zinc/57/07/57/182570757.db2.gz AUPVXELYDOKUDB-SNVBAGLBSA-N -1 0 208.213 1.553 50 0 BDAARM O=C([O-])c1ccc(OC2CCOCC2)nc1 ZINC000012370582 182570940 /nfs/dbraw/zinc/57/09/40/182570940.db2.gz OLOSQIMMFCSJHD-UHFFFAOYSA-N -1 0 223.228 1.338 50 0 BDAARM O=C([O-])c1cccnc1Oc1cccnc1 ZINC000034937723 182585097 /nfs/dbraw/zinc/58/50/97/182585097.db2.gz BBOCDFBQFGUCCI-UHFFFAOYSA-N -1 0 216.196 1.967 50 0 BDAARM O=C([O-])c1cccc(OCC(F)F)n1 ZINC000084425330 182578751 /nfs/dbraw/zinc/57/87/51/182578751.db2.gz CLGMATKWZACQSQ-UHFFFAOYSA-N -1 0 203.144 1.424 50 0 BDAARM O=C([O-])[C@@H]1CCC(=O)c2ccccc2C1 ZINC000000401223 182747132 /nfs/dbraw/zinc/74/71/32/182747132.db2.gz XUNZMNVTEDNDCE-SECBINFHSA-N -1 0 204.225 1.906 50 0 BDAARM CCN(CCC(=O)[O-])C(=O)CC1CCOCC1 ZINC000237017774 169817838 /nfs/dbraw/zinc/81/78/38/169817838.db2.gz GSADFWQCBDYIJS-UHFFFAOYSA-N -1 0 243.303 1.126 50 0 BDAARM CCN(CCC(=O)[O-])C(=O)C[C@H]1CCCCO1 ZINC000095031107 169817902 /nfs/dbraw/zinc/81/79/02/169817902.db2.gz ZKZZUYOZCMQRDT-SNVBAGLBSA-N -1 0 243.303 1.269 50 0 BDAARM CCCCS(=O)(=O)[N-]c1nccs1 ZINC000007988251 168928495 /nfs/dbraw/zinc/92/84/95/168928495.db2.gz NTBLWYWAFUIPDD-UHFFFAOYSA-N -1 0 220.319 1.685 50 0 BDAARM O=c1cn[n-]c(Nc2cccc(F)c2)n1 ZINC000012732086 183007095 /nfs/dbraw/zinc/00/70/95/183007095.db2.gz MXMIADQQVUTOFS-UHFFFAOYSA-N -1 0 206.180 1.048 50 0 BDAARM O=c1[n-]c(=S)[nH]nc1-c1ccccc1 ZINC000012377770 183009862 /nfs/dbraw/zinc/00/98/62/183009862.db2.gz WAQGGKJKDGJEEA-UHFFFAOYSA-N -1 0 205.242 1.121 50 0 BDAARM S=c1[n-]nnn1CCc1ccc(Cl)cc1 ZINC000000100336 183316433 /nfs/dbraw/zinc/31/64/33/183316433.db2.gz SRGXOLSEKLBZQI-UHFFFAOYSA-N -1 0 240.719 1.858 50 0 BDAARM S=c1[n-]nc2nnc3cc(Cl)ccc3n12 ZINC000000133536 183316557 /nfs/dbraw/zinc/31/65/57/183316557.db2.gz TUQVVBUWKLWQEA-UHFFFAOYSA-N -1 0 237.675 1.615 50 0 BDAARM S=c1[n-]nnn1CCc1cccs1 ZINC000012504986 183316668 /nfs/dbraw/zinc/31/66/68/183316668.db2.gz DMJJFBTYTMIJHY-UHFFFAOYSA-N -1 0 212.303 1.266 50 0 BDAARM S=C([S-])NN=c1[nH]c2ccccc2o1 ZINC000054361206 183312669 /nfs/dbraw/zinc/31/26/69/183312669.db2.gz MABMDUQQNQBFPM-UHFFFAOYSA-N -1 0 225.298 1.959 50 0 BDAARM CCC[C@@H](C)C(=O)N(C)CCC(=O)[O-] ZINC000037931468 169347014 /nfs/dbraw/zinc/34/70/14/169347014.db2.gz JRGSETNFGNQJTI-MRVPVSSYSA-N -1 0 201.266 1.356 50 0 BDAARM CCC[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)CC ZINC000097022272 169375074 /nfs/dbraw/zinc/37/50/74/169375074.db2.gz FRWYLLBYNMMSFW-IUCAKERBSA-N -1 0 215.293 1.792 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)[O-] ZINC000014166662 166656975 /nfs/dbraw/zinc/65/69/75/166656975.db2.gz RTWMQNSZCUYSJJ-FXQIFTODSA-N -1 0 227.260 1.326 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)[O-])OC1 ZINC000095742618 166667067 /nfs/dbraw/zinc/66/70/67/166667067.db2.gz NROSRTMHTJHLLE-HTQZYQBOSA-N -1 0 245.275 1.143 50 0 BDAARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])c(C)c1 ZINC000000053895 383820872 /nfs/dbraw/zinc/82/08/72/383820872.db2.gz YJSWFYKQDVWJSU-AATRIKPKSA-N -1 0 219.240 1.883 50 0 BDAARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1C ZINC000000072321 383820997 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ZINC000095943146 388792099 /nfs/dbraw/zinc/79/20/99/388792099.db2.gz LLORLOXJNINTGH-UHFFFAOYSA-N -1 0 243.259 1.119 50 0 BDAARM CCCCOCC(=O)N[C@](C)(CCC)C(=O)[O-] ZINC000095424459 388770278 /nfs/dbraw/zinc/77/02/78/388770278.db2.gz JTCLXJIAOZGIHO-GFCCVEGCSA-N -1 0 245.319 1.563 50 0 BDAARM O=C1Nc2ccccc2O[C@@]1([O-])C(F)(F)F ZINC000002479694 388837441 /nfs/dbraw/zinc/83/74/41/388837441.db2.gz QDPPYJJMUMSMIL-MRVPVSSYSA-N -1 0 233.145 1.268 50 0 BDAARM C[C@@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000037517192 388891206 /nfs/dbraw/zinc/89/12/06/388891206.db2.gz FNTNSZPLICLPHV-MIMYLULJSA-N -1 0 233.267 1.585 50 0 BDAARM O=C([O-])c1nc(N2CCCCC2)ncc1Cl ZINC000003200157 132315396 /nfs/dbraw/zinc/31/53/96/132315396.db2.gz VHYXMJFAGUNZTA-UHFFFAOYSA-N -1 0 241.678 1.819 50 0 BDAARM Cc1cc(C(=O)[O-])nc(N2CCC(C)CC2)n1 ZINC000011729711 132320483 /nfs/dbraw/zinc/32/04/83/132320483.db2.gz UJUHZZBBULDHNZ-UHFFFAOYSA-N -1 0 235.287 1.720 50 0 BDAARM Cc1cc(C)nc(N2CCC(CC(=O)[O-])CC2)n1 ZINC000072343335 132396518 /nfs/dbraw/zinc/39/65/18/132396518.db2.gz HATXAOARKUXWAI-UHFFFAOYSA-N -1 0 249.314 1.785 50 0 BDAARM O=C([O-])CC1CCN(c2cccnn2)CC1 ZINC000072343749 132396698 /nfs/dbraw/zinc/39/66/98/132396698.db2.gz AKBRVZISRMTXFA-UHFFFAOYSA-N -1 0 221.260 1.168 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)c1cccs1)C1CC1 ZINC000261591755 135232767 /nfs/dbraw/zinc/23/27/67/135232767.db2.gz VOJYBZUZEOHOCN-ZETCQYMHSA-N -1 0 239.296 1.826 50 0 BDAARM C[C@@H](C(=O)[O-])N(C(=O)C1CC(F)(F)C1)C1CC1 ZINC000262744567 135316603 /nfs/dbraw/zinc/31/66/03/135316603.db2.gz AZJPVNOCBCEVTK-LURJTMIESA-N -1 0 247.241 1.496 50 0 BDAARM CCCc1nnc(NC(=O)[C@H](C)C(=O)[O-])s1 ZINC000263074420 135331060 /nfs/dbraw/zinc/33/10/60/135331060.db2.gz GZWLAVHNIDZMSK-YFKPBYRVSA-N -1 0 243.288 1.150 50 0 BDAARM Cc1cscc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263329494 135347382 /nfs/dbraw/zinc/34/73/82/135347382.db2.gz POORRJUGSGPPBM-OCAPTIKFSA-N -1 0 239.296 1.650 50 0 BDAARM O=C([O-])c1cc(N2CCc3ccccc32)ncn1 ZINC000071550429 397975205 /nfs/dbraw/zinc/97/52/05/397975205.db2.gz ZEWQYTRYWGCUIH-UHFFFAOYSA-N -1 0 241.250 1.869 50 0 BDAARM Cc1cnccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000299759811 398042291 /nfs/dbraw/zinc/04/22/91/398042291.db2.gz NEEVSTPSOVMSLW-UHFFFAOYSA-N -1 0 248.282 1.517 50 0 BDAARM Cc1[nH]c(Br)nc1C(=O)[O-] ZINC000059480016 398074639 /nfs/dbraw/zinc/07/46/39/398074639.db2.gz NCBRFNJSIVSEIW-UHFFFAOYSA-N -1 0 205.011 1.179 50 0 BDAARM CC(C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000129838 167083931 /nfs/dbraw/zinc/08/39/31/167083931.db2.gz LKHIMICNMRXHFN-IUCAKERBSA-N -1 0 213.277 1.402 50 0 BDAARM CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002149574 175504091 /nfs/dbraw/zinc/50/40/91/175504091.db2.gz IMUSLIHRIYOHEV-SSDOTTSWSA-N -1 0 249.332 1.717 50 0 BDAARM CC(C)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000037684811 167317599 /nfs/dbraw/zinc/31/75/99/167317599.db2.gz VJAGENDKVAXWLY-UHFFFAOYSA-N -1 0 242.296 1.708 50 0 BDAARM CC(C)(C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000037934476 166515423 /nfs/dbraw/zinc/51/54/23/166515423.db2.gz JFGYWWUCPQBFAF-UHFFFAOYSA-N -1 0 208.213 1.778 50 0 BDAARM CC(C)(C)C(=O)Nc1nccnc1C(=O)[O-] ZINC000063215423 166534904 /nfs/dbraw/zinc/53/49/04/166534904.db2.gz WSUOGFUQNXALMM-UHFFFAOYSA-N -1 0 223.232 1.159 50 0 BDAARM CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)[O-] ZINC000299805655 166662493 /nfs/dbraw/zinc/66/24/93/166662493.db2.gz ZRKOZYSIEWQQQS-HTQZYQBOSA-N -1 0 245.275 1.001 50 0 BDAARM Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccccc1F ZINC000101825842 410798073 /nfs/dbraw/zinc/79/80/73/410798073.db2.gz PNCRXBBCTGLEII-SNVBAGLBSA-N -1 0 249.245 1.228 50 0 BDAARM CC(C)OC(=O)c1cccc(C(=O)[O-])n1 ZINC000000174780 167173767 /nfs/dbraw/zinc/17/37/67/167173767.db2.gz PZOBSGFZRSJVAO-UHFFFAOYSA-N -1 0 209.201 1.345 50 0 BDAARM CC(C)Oc1ccc(NNS(=O)(=O)[O-])cc1 ZINC000005481887 167296836 /nfs/dbraw/zinc/29/68/36/167296836.db2.gz FUISBYWGSBQQPE-UHFFFAOYSA-N -1 0 246.288 1.193 50 0 BDAARM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000019435821 167833646 /nfs/dbraw/zinc/83/36/46/167833646.db2.gz HKMOXOCWLLDWTN-RXLGXGPVSA-N -1 0 229.301 1.329 50 0 BDAARM Cc1cc(=O)n(CCc2ccccc2)[n-]1 ZINC000015042837 168134006 /nfs/dbraw/zinc/13/40/06/168134006.db2.gz YNXZGQCXEHEZKB-UHFFFAOYSA-N -1 0 202.257 1.837 50 0 BDAARM CC1CCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000034926434 168175573 /nfs/dbraw/zinc/17/55/73/168175573.db2.gz LGBUOOLBRZNYSG-NXEZZACHSA-N -1 0 239.315 1.602 50 0 BDAARM CCC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000008189113 168246917 /nfs/dbraw/zinc/24/69/17/168246917.db2.gz NEKXREFKGLXJSY-UHFFFAOYSA-N -1 0 223.228 1.499 50 0 BDAARM CCOC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000003080830 170286088 /nfs/dbraw/zinc/28/60/88/170286088.db2.gz DIKKCRMDEAACQI-GXFFZTMASA-N -1 0 234.251 1.808 50 0 BDAARM CCOC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000005424324 170289096 /nfs/dbraw/zinc/28/90/96/170289096.db2.gz LGLPFJDOUVCBNP-UHFFFAOYSA-N -1 0 233.223 1.410 50 0 BDAARM CCOC(=O)c1cc(=O)c2c(C)nc(C)nc2[n-]1 ZINC000004629524 170293286 /nfs/dbraw/zinc/29/32/86/170293286.db2.gz MXXBGOQAVMPJNC-UHFFFAOYSA-N -1 0 247.254 1.524 50 0 BDAARM CCOC(=O)c1cnc(C(=O)[O-])c(Cl)c1 ZINC000072319824 170301446 /nfs/dbraw/zinc/30/14/46/170301446.db2.gz ZPFBWRGNNLLCMD-UHFFFAOYSA-N -1 0 229.619 1.610 50 0 BDAARM CCOC(=O)c1ncc(Br)[n-]1 ZINC000040448715 170306621 /nfs/dbraw/zinc/30/66/21/170306621.db2.gz ZCIMIBOKGAGKRV-UHFFFAOYSA-N -1 0 219.038 1.349 50 0 BDAARM CCOCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002069575 170348807 /nfs/dbraw/zinc/34/88/07/170348807.db2.gz XAWMZMVMSLIZPJ-UHFFFAOYSA-N -1 0 223.228 1.360 50 0 BDAARM CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002540509 170826461 /nfs/dbraw/zinc/82/64/61/170826461.db2.gz NEIGWFMADWPGEL-ZETCQYMHSA-N -1 0 217.265 1.622 50 0 BDAARM CC[C@@]1(C)Cc2[nH]c(=O)c(C(=O)[O-])cc2CO1 ZINC000003984912 171207970 /nfs/dbraw/zinc/20/79/70/171207970.db2.gz IDVZPONJIJSXKY-LBPRGKRZSA-N -1 0 237.255 1.315 50 0 biogenic BDAARM CC[C@H](C(=O)[O-])c1cn2ccccc2n1 ZINC000034925173 171238313 /nfs/dbraw/zinc/23/83/13/171238313.db2.gz ZEABVCGXNXWYFG-QMMMGPOBSA-N -1 0 204.229 1.913 50 0 BDAARM CC[C@H](C)[C@@H](C(=O)[O-])n1cccc1C=O ZINC000040488296 171357726 /nfs/dbraw/zinc/35/77/26/171357726.db2.gz ZRGWPEFIQVEQTO-WPRPVWTQSA-N -1 0 209.245 1.972 50 0 BDAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)C1CC1)C(=O)[O-] ZINC000148800149 171398531 /nfs/dbraw/zinc/39/85/31/171398531.db2.gz MCFWBAUGUODTFE-XKSSXDPKSA-N -1 0 227.304 1.648 50 0 BDAARM CCn1ccs/c1=N\C(=S)[S-] ZINC000004860209 172230513 /nfs/dbraw/zinc/23/05/13/172230513.db2.gz LQTQUTADPBVVJI-ALCCZGGFSA-N -1 0 204.345 1.685 50 0 BDAARM CCn1nc(C(=O)[O-])c(Cl)c1Cl ZINC000004343097 172240432 /nfs/dbraw/zinc/24/04/32/172240432.db2.gz NSJQEQVLBUHDJE-UHFFFAOYSA-N -1 0 209.032 1.908 50 0 BDAARM CN1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000047474166 173087370 /nfs/dbraw/zinc/08/73/70/173087370.db2.gz QMVJQDGBMAWREF-UHFFFAOYSA-N -1 0 240.328 1.194 50 0 BDAARM COc1cc(C(=O)[O-])c(OC)c(OC)c1OC ZINC000012153840 174949817 /nfs/dbraw/zinc/94/98/17/174949817.db2.gz AJNOMVUCBQJKGC-UHFFFAOYSA-N -1 0 242.227 1.419 50 0 BDAARM COc1cc(OC)c(C(=O)[O-])c(OC)c1 ZINC000004787060 175007145 /nfs/dbraw/zinc/00/71/45/175007145.db2.gz JATAKEDDMQNPOQ-UHFFFAOYSA-N -1 0 212.201 1.411 50 0 biogenic,in-vitro BDAARM COc1cc(OC)c(C(=O)[O-])cc1C=O ZINC000005512106 175007313 /nfs/dbraw/zinc/00/73/13/175007313.db2.gz VZKWLIOJJAETJI-UHFFFAOYSA-N -1 0 210.185 1.215 50 0 BDAARM COc1ccc(-c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000000324162 175030440 /nfs/dbraw/zinc/03/04/40/175030440.db2.gz SJOBKJSBBATDEB-UHFFFAOYSA-N -1 0 232.239 1.794 50 0 BDAARM COc1ccc(-c2ccc(C(=O)[O-])cc2)nn1 ZINC000035635886 175032348 /nfs/dbraw/zinc/03/23/48/175032348.db2.gz VNZFOYFVDMNGDM-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM COc1ccc(-n2ccc(C)n2)c(C(=O)[O-])c1 ZINC000067850997 175044353 /nfs/dbraw/zinc/04/43/53/175044353.db2.gz SUOZRXLXJOTSPY-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM COc1ccc(CC(=O)[O-])c(F)c1F ZINC000012359189 175087306 /nfs/dbraw/zinc/08/73/06/175087306.db2.gz BURJSULJPCCRLL-UHFFFAOYSA-N -1 0 202.156 1.601 50 0 BDAARM COc1ccc(OC)c(/C=C\C(=O)[O-])c1 ZINC000006005380 175164610 /nfs/dbraw/zinc/16/46/10/175164610.db2.gz JPQWWJZORKTMIZ-UTCJRWHESA-N -1 0 208.213 1.802 50 0 BDAARM COc1ccc([S@@](=O)[O-])c(OC)c1 ZINC000039415826 175201065 /nfs/dbraw/zinc/20/10/65/175201065.db2.gz OTNHRMBTQWQKMB-UHFFFAOYSA-N -1 0 202.231 1.284 50 0 BDAARM COc1ccc2c(c1)C[C@@H](C(=O)[O-])CC2 ZINC000016698062 175210465 /nfs/dbraw/zinc/21/04/65/175210465.db2.gz ZDULJHJAQFHUJX-VIFPVBQESA-N -1 0 206.241 1.885 50 0 BDAARM COc1ccc2c(c1)c(C(=O)[O-])cc(=O)n2C ZINC000000395333 175217925 /nfs/dbraw/zinc/21/79/25/175217925.db2.gz HRHANSVVAKFTKU-UHFFFAOYSA-N -1 0 233.223 1.245 50 0 BDAARM COc1ccc2cc(C(=O)[O-])c(=O)oc2c1 ZINC000000187140 175223591 /nfs/dbraw/zinc/22/35/91/175223591.db2.gz VEEGNDSSWAOLFN-UHFFFAOYSA-N -1 0 220.180 1.500 50 0 BDAARM COc1cccc(NC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000033734633 175277261 /nfs/dbraw/zinc/27/72/61/175277261.db2.gz YCZDTQBKJHWMGN-SSDOTTSWSA-N -1 0 238.243 1.290 50 0 BDAARM COc1cccc2c(O)c(C(=O)[O-])cnc12 ZINC000008617532 175298035 /nfs/dbraw/zinc/29/80/35/175298035.db2.gz CDGYPATWKVOBIY-UHFFFAOYSA-N -1 0 219.196 1.235 50 0 biogenic BDAARM COc1cccc2c(=O)cc(C(=O)[O-])oc12 ZINC000006485090 175298294 /nfs/dbraw/zinc/29/82/94/175298294.db2.gz FRLMMCULHNSRQO-UHFFFAOYSA-N -1 0 220.180 1.500 50 0 BDAARM COc1cccc2c1OC[C@@H](C(=O)[O-])C2 ZINC000004502690 175305249 /nfs/dbraw/zinc/30/52/49/175305249.db2.gz FTXQMXYVEKCYAO-QMMMGPOBSA-N -1 0 208.213 1.331 50 0 BDAARM COc1ccccc1-c1ccc(C(=O)[O-])c(=O)[nH]1 ZINC000038478119 175309173 /nfs/dbraw/zinc/30/91/73/175309173.db2.gz XPGPOQYIQZJMHK-UHFFFAOYSA-N -1 0 245.234 1.749 50 0 BDAARM COc1ccccc1-n1nnc(C(=O)[O-])c1C ZINC000004943145 175312651 /nfs/dbraw/zinc/31/26/51/175312651.db2.gz XDIJXIDIHIYINO-UHFFFAOYSA-N -1 0 233.227 1.283 50 0 BDAARM COc1ccccc1C(=O)/C=C/C(=O)[O-] ZINC000000009646 175316889 /nfs/dbraw/zinc/31/68/89/175316889.db2.gz UJSUZYNQPVWDCA-VOTSOKGWSA-N -1 0 206.197 1.519 50 0 BDAARM COc1ccccc1OC(C)(C)C(=O)[O-] ZINC000005283845 175340756 /nfs/dbraw/zinc/34/07/56/175340756.db2.gz JRPWOMJYKLHXSA-UHFFFAOYSA-N -1 0 210.229 1.937 50 0 BDAARM CSCCC(=O)N1[C@@H](C(=O)[O-])CCC[C@@H]1C ZINC000004110526 175466887 /nfs/dbraw/zinc/46/68/87/175466887.db2.gz OZALSLNPMJFRGI-DTWKUNHWSA-N -1 0 245.344 1.594 50 0 BDAARM C[C@@H](C(=O)N(C)CCC(=O)[O-])c1cccs1 ZINC000124017157 175601231 /nfs/dbraw/zinc/60/12/31/175601231.db2.gz YPUPCQRLYWVYEH-MRVPVSSYSA-N -1 0 241.312 1.785 50 0 BDAARM C[C@@H](Oc1ccc2sc(=O)oc2c1)C(=O)[O-] ZINC000019812439 176005204 /nfs/dbraw/zinc/00/52/04/176005204.db2.gz WAAKDPOTDRCLST-RXMQYKEDSA-N -1 0 240.236 1.706 50 0 BDAARM C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)[C@@H]1C ZINC000012504739 176141705 /nfs/dbraw/zinc/14/17/05/176141705.db2.gz DFUFTEQOJINPSJ-ZNSHCXBVSA-N -1 0 239.315 1.744 50 0 BDAARM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000039941247 176160234 /nfs/dbraw/zinc/16/02/34/176160234.db2.gz IFPZGYNNPYYDGA-RKDXNWHRSA-N -1 0 243.303 1.964 50 0 BDAARM C[C@@H]1CN(CC(=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000237500310 176285233 /nfs/dbraw/zinc/28/52/33/176285233.db2.gz WQJNHAJSBOGWED-ZYHUDNBSSA-N -1 0 235.283 1.533 50 0 BDAARM C[C@H](NC(=O)CSc1ccccc1)C(=O)[O-] ZINC000033434592 176793666 /nfs/dbraw/zinc/79/36/66/176793666.db2.gz GGQHBMGKIUWBHB-QMMMGPOBSA-N -1 0 239.296 1.368 50 0 BDAARM C[C@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000018166855 177062836 /nfs/dbraw/zinc/06/28/36/177062836.db2.gz XYGODKUTURWIHD-ZETCQYMHSA-N -1 0 233.223 1.284 50 0 BDAARM C[C@H]1CCCC[C@@H]1NC(=O)CSCC(=O)[O-] ZINC000003444815 177082309 /nfs/dbraw/zinc/08/23/09/177082309.db2.gz IUAOYMXHFMJGSV-IUCAKERBSA-N -1 0 245.344 1.499 50 0 BDAARM C[C@H]1C[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000097036702 177346661 /nfs/dbraw/zinc/34/66/61/177346661.db2.gz NZUZZTOOBFSNBL-CABZTGNLSA-N -1 0 247.294 1.842 50 0 BDAARM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000085006600 488120372 /nfs/dbraw/zinc/12/03/72/488120372.db2.gz VLTRJMSKMBVFEC-RKDXNWHRSA-N -1 0 227.304 1.792 50 0 BDAARM Cc1noc(C)c1[N-]S(=O)(=O)C1CCCC1 ZINC000084025605 490363259 /nfs/dbraw/zinc/36/32/59/490363259.db2.gz ITYWLQXWHJVHGE-UHFFFAOYSA-N -1 0 244.316 1.976 50 0 BDAARM CCOC(=O)N=c1[nH]c(CC(=O)[O-])cs1 ZINC000011920136 520997702 /nfs/dbraw/zinc/99/77/02/520997702.db2.gz FQHHRORNSKKZOC-UHFFFAOYSA-N -1 0 230.245 1.339 50 0 BDAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000195542093 525445943 /nfs/dbraw/zinc/44/59/43/525445943.db2.gz IZGSDCFQMCYZJP-MVWJERBFSA-N -1 0 247.294 1.688 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000082919538 526270679 /nfs/dbraw/zinc/27/06/79/526270679.db2.gz QNOVAEWJQCXCEE-BDAKNGLRSA-N -1 0 211.261 1.252 50 0 BDAARM O=C([O-])c1ccncc1NCc1ccco1 ZINC000084485360 526399967 /nfs/dbraw/zinc/39/99/67/526399967.db2.gz ZNWWSWJQMFNZDV-UHFFFAOYSA-N -1 0 218.212 1.985 50 0 BDAARM CC[C@]1(C)C[C@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000263524789 535937005 /nfs/dbraw/zinc/93/70/05/535937005.db2.gz JFYQWWQUWVINFI-XXILOJSOSA-N -1 0 243.278 1.448 50 0 BDAARM O=Cc1cc(-c2ccc(C(=O)[O-])o2)ccn1 ZINC000725261037 566308005 /nfs/dbraw/zinc/30/80/05/566308005.db2.gz HZKIEOFJFOCAEN-UHFFFAOYSA-N -1 0 217.180 1.852 50 0 BDAARM CCCC(CCC)C(=O)NCC(=O)[O-] ZINC000005819711 571689995 /nfs/dbraw/zinc/68/99/95/571689995.db2.gz QBKXUUNBNHZZPK-UHFFFAOYSA-N -1 0 201.266 1.404 50 0 endogenous,in-man BDAARM C/C=C(\C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000584908393 601292131 /nfs/dbraw/zinc/29/21/31/601292131.db2.gz MUSYHXSCMMNELV-YCRREMRBSA-N -1 0 241.287 1.045 50 0 BDAARM CCCCS(=O)(=O)CCCC(=O)[O-] ZINC000036332681 601639286 /nfs/dbraw/zinc/63/92/86/601639286.db2.gz HOPCBXPFMJCVLR-UHFFFAOYSA-N -1 0 208.279 1.066 50 0 BDAARM CC[C@@H](NC(=O)/C=C(/C)C1CC1)C(=O)[O-] ZINC000097035873 601676533 /nfs/dbraw/zinc/67/65/33/601676533.db2.gz VRSXMRBHJRERQP-ATJFRQLMSA-N -1 0 211.261 1.322 50 0 BDAARM COC(=O)C(C)=C([O-])c1ccccc1F ZINC000062774999 641089723 /nfs/dbraw/zinc/08/97/23/641089723.db2.gz YDUBMRNHRHAUDX-SSDOTTSWSA-N -1 0 210.204 1.818 50 0 BDAARM C[C@@H](Oc1ccccc1-c1cc[nH]n1)C(=O)[O-] ZINC000032573310 641387392 /nfs/dbraw/zinc/38/73/92/641387392.db2.gz GOUMWNXUVSWXRU-MRVPVSSYSA-N -1 0 232.239 1.929 50 0 BDAARM O=C([O-])C1CN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000071172452 398144475 /nfs/dbraw/zinc/14/44/75/398144475.db2.gz QVUSRSFQVBSZJS-UHFFFAOYSA-N -1 0 241.193 1.121 50 0 BDAARM Cc1cc(Cl)c(C=O)c(=O)n1CCC(=O)[O-] ZINC000061720197 178060948 /nfs/dbraw/zinc/06/09/48/178060948.db2.gz CZYJUSSRFVKLEZ-UHFFFAOYSA-N -1 0 243.646 1.097 50 0 BDAARM Cc1cc(NC(=O)[C@@H](C)SCC(=O)[O-])no1 ZINC000002619100 178144597 /nfs/dbraw/zinc/14/45/97/178144597.db2.gz ZBEXNNBFUQYXAV-ZCFIWIBFSA-N -1 0 244.272 1.128 50 0 BDAARM O=C([O-])C1(c2cccc(Cl)c2)COC1 ZINC000075136201 398217110 /nfs/dbraw/zinc/21/71/10/398217110.db2.gz CSSWOQPCIFLTMZ-UHFFFAOYSA-N -1 0 212.632 1.693 50 0 BDAARM Cc1cc(=O)[nH]c2ccc(C(=O)[O-])cc12 ZINC000009880206 178202527 /nfs/dbraw/zinc/20/25/27/178202527.db2.gz MGAJBJJJURFLMB-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 BDAARM Cc1cc(OCC(=O)[O-])ccc1[S@@](C)=O ZINC000008672869 178209797 /nfs/dbraw/zinc/20/97/97/178209797.db2.gz GFZRDXSZLLWNGS-HNNXBMFYSA-N -1 0 228.269 1.196 50 0 BDAARM Cc1cc(S(C)(=O)=O)cc(C(=O)[O-])c1C ZINC000084086020 178216643 /nfs/dbraw/zinc/21/66/43/178216643.db2.gz AKRNQKORJSYLCB-UHFFFAOYSA-N -1 0 228.269 1.405 50 0 BDAARM Cc1ccc(C2N=NC(=S)N2CC(=O)[O-])cc1 ZINC000004206449 178340630 /nfs/dbraw/zinc/34/06/30/178340630.db2.gz MVJCJQYGDLMMDC-UHFFFAOYSA-N -1 0 249.295 1.627 50 0 BDAARM Cc1ccc(-n2ccnc2)c(C(=O)[O-])c1 ZINC000052981012 178347035 /nfs/dbraw/zinc/34/70/35/178347035.db2.gz LGYWONXHPYENRN-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1ccc(-n2nn[n-]c2=S)c(C)c1 ZINC000006404428 178351372 /nfs/dbraw/zinc/35/13/72/178351372.db2.gz XAFZUUBFIXXHIZ-UHFFFAOYSA-N -1 0 206.274 1.568 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000013170775 178389256 /nfs/dbraw/zinc/38/92/56/178389256.db2.gz IMXLPTOOAIOYRV-VIFPVBQESA-N -1 0 237.255 1.525 50 0 BDAARM Cc1cc(-n2nn[n-]c2=S)ccc1F ZINC000000099001 342674277 /nfs/dbraw/zinc/67/42/77/342674277.db2.gz LBGVYJNOEXNERX-UHFFFAOYSA-N -1 0 210.237 1.399 50 0 BDAARM COc1cc(C(C)=O)ccc1OCC(=O)[O-] ZINC000000116191 342675048 /nfs/dbraw/zinc/67/50/48/342675048.db2.gz WVXLLHWEQSZBLW-UHFFFAOYSA-N -1 0 224.212 1.361 50 0 BDAARM Cc1ccc2c(c1)nnc1n[n-]c(=S)n12 ZINC000000133543 342676293 /nfs/dbraw/zinc/67/62/93/342676293.db2.gz ZZRMDIZIZREHDR-UHFFFAOYSA-N -1 0 217.257 1.270 50 0 BDAARM COc1ccc([C@H](CC(N)=O)CC(=O)[O-])cc1 ZINC000000137891 342676747 /nfs/dbraw/zinc/67/67/47/342676747.db2.gz TWOBZOCYRADJOC-SECBINFHSA-N -1 0 237.255 1.129 50 0 BDAARM Nc1c(Br)cc(F)cc1C(=O)[O-] ZINC000000165668 342678671 /nfs/dbraw/zinc/67/86/71/342678671.db2.gz LTOCPZGBNWZMBA-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM Cc1ccc2c(CC(=O)[O-])cc(=O)oc2c1 ZINC000000225819 342680542 /nfs/dbraw/zinc/68/05/42/342680542.db2.gz VDQLZKYCWITDPF-UHFFFAOYSA-N -1 0 218.208 1.729 50 0 biogenic BDAARM Cc1ccc2cc(C(=O)[O-])c(=O)[nH]c2c1 ZINC000000287838 342682322 /nfs/dbraw/zinc/68/23/22/342682322.db2.gz UXAQYUDMBYSMOP-UHFFFAOYSA-N -1 0 203.197 1.535 50 0 BDAARM Cc1oc(C(=O)[O-])cc1CN1CCOCC1 ZINC000000333383 342683587 /nfs/dbraw/zinc/68/35/87/342683587.db2.gz RYGQPTJGYVABKT-UHFFFAOYSA-N -1 0 225.244 1.118 50 0 BDAARM Cc1cc(C)nc(SCCC(=O)[O-])n1 ZINC000000037803 342670625 /nfs/dbraw/zinc/67/06/25/342670625.db2.gz MULFLAMWNBZYLU-UHFFFAOYSA-N -1 0 212.274 1.660 50 0 BDAARM Cc1cc(=O)n(CCC(=O)[O-])c2ccccc12 ZINC000000486000 342688907 /nfs/dbraw/zinc/68/89/07/342688907.db2.gz NPTAVQKWQVMARO-UHFFFAOYSA-N -1 0 231.251 1.785 50 0 BDAARM CCCc1nnc(NC(=O)CCC(=O)[O-])s1 ZINC000000569930 342690408 /nfs/dbraw/zinc/69/04/08/342690408.db2.gz DGTVPQPIVDDUAL-UHFFFAOYSA-N -1 0 243.288 1.294 50 0 BDAARM C[C@@H](C(=O)[O-])[C@H]1Sc2ccccc2NC1=O ZINC000000712163 342691957 /nfs/dbraw/zinc/69/19/57/342691957.db2.gz ZHJBCDJUOASXOM-HZGVNTEJSA-N -1 0 237.280 1.820 50 0 BDAARM O=S(=O)([O-])c1cccc2ncccc21 ZINC000001571305 342703687 /nfs/dbraw/zinc/70/36/87/342703687.db2.gz KVGSJGNWRDPVKA-UHFFFAOYSA-N -1 0 209.226 1.482 50 0 BDAARM CC[C@@H](C)[C@H](Nc1ncnc2nc[nH]c21)C(=O)[O-] ZINC000001683947 342709111 /nfs/dbraw/zinc/70/91/11/342709111.db2.gz DYJGDOBRQHPAGK-RQJHMYQMSA-N -1 0 249.274 1.264 50 0 biogenic BDAARM CCN(CC)C(=S)SCC(=O)[O-] ZINC000001706936 342710189 /nfs/dbraw/zinc/71/01/89/342710189.db2.gz JLMPJCQRACBHOF-UHFFFAOYSA-N -1 0 207.320 1.431 50 0 BDAARM O=S(=O)([O-])c1ccc2ncccc2c1 ZINC000001766321 342712454 /nfs/dbraw/zinc/71/24/54/342712454.db2.gz PLUQFBYKHVFHMZ-UHFFFAOYSA-N -1 0 209.226 1.482 50 0 BDAARM CSCC[C@@H](C(=O)[O-])n1c[n+]([O-])c(C)c1C ZINC000002074700 342715759 /nfs/dbraw/zinc/71/57/59/342715759.db2.gz VSFLHMWGTMRKNN-VIFPVBQESA-N -1 0 244.316 1.117 50 0 BDAARM C[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000002168434 342716551 /nfs/dbraw/zinc/71/65/51/342716551.db2.gz WUEKFTPKHWMMIP-VIFPVBQESA-N -1 0 221.256 1.729 50 0 BDAARM O=C([O-])CN1C[C@H](c2ccccc2)CC1=O ZINC000002193592 342716770 /nfs/dbraw/zinc/71/67/70/342716770.db2.gz IBYVEHXQCORQKW-SNVBAGLBSA-N -1 0 219.240 1.087 50 0 BDAARM CCCn1c2ccccc2n(CCC(=O)[O-])c1=O ZINC000004218901 342744603 /nfs/dbraw/zinc/74/46/03/342744603.db2.gz VYSGOOOFHJWDHZ-UHFFFAOYSA-N -1 0 248.282 1.688 50 0 BDAARM O=C([O-])c1ccccc1Cn1ccnc1 ZINC000004384464 342747515 /nfs/dbraw/zinc/74/75/15/342747515.db2.gz RXCZMOPOWGKAPK-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM Nc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000002513559 342721834 /nfs/dbraw/zinc/72/18/34/342721834.db2.gz NPPPORJZPNJXNQ-UHFFFAOYSA-N -1 0 205.135 1.986 50 0 in-vitro BDAARM COc1cc(O)c(C(=O)[O-])cc1Br ZINC000002563917 342724350 /nfs/dbraw/zinc/72/43/50/342724350.db2.gz KXVQEKFWNOZTQX-UHFFFAOYSA-N -1 0 247.044 1.862 50 0 BDAARM CC(C)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038025531 538964532 /nfs/dbraw/zinc/96/45/32/538964532.db2.gz SPBVTRRECKJXJO-SECBINFHSA-N -1 0 213.277 1.498 50 0 BDAARM O=C([O-])c1cc(OC(F)(F)F)ccc1O ZINC000002572872 342724969 /nfs/dbraw/zinc/72/49/69/342724969.db2.gz HNYMLXYADOZCNY-UHFFFAOYSA-N -1 0 222.118 1.989 50 0 BDAARM COC(=O)C=C([O-])c1ccc(OC)cc1 ZINC000002572852 342725023 /nfs/dbraw/zinc/72/50/23/342725023.db2.gz VXXOASOINNOPGR-UHFFFAOYSA-N -1 0 208.213 1.441 50 0 BDAARM COC(=O)C=C([O-])c1ccc(OC)c(OC)c1 ZINC000002575885 342725336 /nfs/dbraw/zinc/72/53/36/342725336.db2.gz KUSJBCBZGGAXBX-UHFFFAOYSA-N -1 0 238.239 1.450 50 0 BDAARM CCCCCc1nnc([N-]S(C)(=O)=O)s1 ZINC000002857657 342727524 /nfs/dbraw/zinc/72/75/24/342727524.db2.gz LUQVBLLQBLLLBC-UHFFFAOYSA-N -1 0 249.361 1.642 50 0 BDAARM O=C([O-])c1ccnc(Br)c1 ZINC000003866429 342738686 /nfs/dbraw/zinc/73/86/86/342738686.db2.gz YBTKGKVQEXAYEM-UHFFFAOYSA-N -1 0 202.007 1.542 50 0 BDAARM CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004762225 342751776 /nfs/dbraw/zinc/75/17/76/342751776.db2.gz SZQMTCSQWUYUML-JTQLQIEISA-N -1 0 237.255 1.776 50 0 BDAARM Cc1c(Cl)cc(-n2cnnn2)c([O-])c1Cl ZINC000004783493 342752103 /nfs/dbraw/zinc/75/21/03/342752103.db2.gz NLRXUONJBFNPDN-UHFFFAOYSA-N -1 0 245.069 1.983 50 0 BDAARM O=C([O-])c1ccccc1OCCN1CCCC1=O ZINC000004992794 342755960 /nfs/dbraw/zinc/75/59/60/342755960.db2.gz QQCXSNCLVWSWPL-UHFFFAOYSA-N -1 0 249.266 1.386 50 0 BDAARM CC(C)(C)OC(=O)n1cnc(/C=C/C(=O)[O-])c1 ZINC000005313974 342762029 /nfs/dbraw/zinc/76/20/29/342762029.db2.gz BGNMSJBSPKDGNR-SNAWJCMRSA-N -1 0 238.243 1.764 50 0 BDAARM CC(C)(C)c1nnc2sc(=S)[n-]n2c1=O ZINC000006459287 342778343 /nfs/dbraw/zinc/77/83/43/342778343.db2.gz RDFQUMHGHVUYMV-UHFFFAOYSA-N -1 0 242.329 1.132 50 0 BDAARM O=c1c(-c2c[nH]cn2)coc2cc([O-])ccc12 ZINC000004693563 342750739 /nfs/dbraw/zinc/75/07/39/342750739.db2.gz WDXIGGNZYIVLJL-UHFFFAOYSA-N -1 0 228.207 1.889 50 0 biogenic BDAARM CC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000004717133 342751049 /nfs/dbraw/zinc/75/10/49/342751049.db2.gz KRXHHESVJTVORG-UHFFFAOYSA-N -1 0 205.213 1.294 50 0 BDAARM CC(C)[C@@H]1Nc2ccc(C(=O)[O-])cc2NC1=O ZINC000006707788 342781520 /nfs/dbraw/zinc/78/15/20/342781520.db2.gz CNVVKYUSJLGLKB-JTQLQIEISA-N -1 0 234.255 1.773 50 0 BDAARM CC(=O)N(CC(=O)[O-])c1ccccc1C ZINC000005884740 342789365 /nfs/dbraw/zinc/78/93/65/342789365.db2.gz CRVYNIMNRWXKMN-UHFFFAOYSA-N -1 0 207.229 1.433 50 0 BDAARM CC(C)(C)OC(=O)NCc1n[n-]c(=S)o1 ZINC000007952075 342795084 /nfs/dbraw/zinc/79/50/84/342795084.db2.gz UXCJIHFSZPQGDG-UHFFFAOYSA-N -1 0 231.277 1.383 50 0 BDAARM COc1ccc(C=O)c(O[C@@H](C)C(=O)[O-])c1 ZINC000043629033 342797590 /nfs/dbraw/zinc/79/75/90/342797590.db2.gz WAZWZZZKIHAAKN-ZETCQYMHSA-N -1 0 224.212 1.360 50 0 BDAARM O=C([O-])c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000009156372 342809107 /nfs/dbraw/zinc/80/91/07/342809107.db2.gz CZYMXZWZYTZRRF-UHFFFAOYSA-N -1 0 233.223 1.034 50 0 BDAARM O=C1[N-]C(=O)[C@H](Nc2ccc(F)cc2)S1 ZINC000012289122 342848639 /nfs/dbraw/zinc/84/86/39/342848639.db2.gz NZIGENYFBAFERD-MRVPVSSYSA-N -1 0 226.232 1.547 50 0 BDAARM Cn1ccc([N-]S(=O)(=O)c2cccs2)n1 ZINC000012526379 342853534 /nfs/dbraw/zinc/85/35/34/342853534.db2.gz IBDBRQPIZWRJJD-UHFFFAOYSA-N -1 0 243.313 1.282 50 0 BDAARM CCc1ccc(-n2nnc(C(=O)[O-])c2C)cc1 ZINC000011888108 342844165 /nfs/dbraw/zinc/84/41/65/342844165.db2.gz QYVRSAZZBDOQNK-UHFFFAOYSA-N -1 0 231.255 1.836 50 0 BDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000013727328 342870954 /nfs/dbraw/zinc/87/09/54/342870954.db2.gz OWKGDEDCXQCCSO-MWLCHTKSSA-N -1 0 219.240 1.291 50 0 BDAARM Cc1c(C(=O)[O-])nnn1Cc1ccc(C)cc1 ZINC000014007677 342875676 /nfs/dbraw/zinc/87/56/76/342875676.db2.gz FIXFBBYSBPUJRC-UHFFFAOYSA-N -1 0 231.255 1.641 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@](O)(c2ccccc2)C1 ZINC000217901019 398324340 /nfs/dbraw/zinc/32/43/40/398324340.db2.gz XYSFWCWXJQTOPP-SKDRFNHKSA-N -1 0 206.241 1.759 50 0 BDAARM Cc1c2cc3c(cc2[nH]c(=O)c1C(=O)[O-])OCO3 ZINC000143757742 398330635 /nfs/dbraw/zinc/33/06/35/398330635.db2.gz QLZULRRQIQQKID-UHFFFAOYSA-N -1 0 247.206 1.263 50 0 BDAARM COc1cc(CC(=O)[O-])ccc1Cl ZINC000019974312 342965627 /nfs/dbraw/zinc/96/56/27/342965627.db2.gz HYHHKCKVSWCDHJ-UHFFFAOYSA-N -1 0 200.621 1.976 50 0 BDAARM CC(C)CNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000019981272 342965697 /nfs/dbraw/zinc/96/56/97/342965697.db2.gz DCMBHCSWZAVBIX-VIFPVBQESA-N -1 0 228.292 1.149 50 0 BDAARM O=C([O-])c1cnn(-c2ccc(Cl)cc2)n1 ZINC000020246500 342978406 /nfs/dbraw/zinc/97/84/06/342978406.db2.gz SNQMLMMVRAJADL-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)C(F)(F)F ZINC000034544372 346911907 /nfs/dbraw/zinc/91/19/07/346911907.db2.gz SVXWNJBAQWRECG-YFKPBYRVSA-N -1 0 225.166 1.014 50 0 BDAARM CCc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000021951666 343029447 /nfs/dbraw/zinc/02/94/47/343029447.db2.gz YFRGQAFPMKPOQF-MRVPVSSYSA-N -1 0 221.256 1.452 50 0 BDAARM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CC(=O)[O-] ZINC000237545114 136272277 /nfs/dbraw/zinc/27/22/77/136272277.db2.gz RLAFDPNQCYDNGV-UWVGGRQHSA-N -1 0 243.303 1.125 50 0 BDAARM CC[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)[O-])O1 ZINC000031158474 343215209 /nfs/dbraw/zinc/21/52/09/343215209.db2.gz HTCUURQJNZBKIA-XFWSIPNHSA-N -1 0 216.277 1.416 50 0 biogenic,in-vitro BDAARM CSc1cccc(NC(=O)/C=C\C(=O)[O-])c1 ZINC000031723486 343223429 /nfs/dbraw/zinc/22/34/29/343223429.db2.gz GRTHEGPBJDWTID-WAYWQWQTSA-N -1 0 237.280 1.988 50 0 BDAARM Nc1nnc([C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000618756 343269951 /nfs/dbraw/zinc/26/99/51/343269951.db2.gz OCGXJHZVJKDUMY-RITPCOANSA-N -1 0 227.289 1.479 50 0 BDAARM O=C1[N-]S(=O)(=O)c2cccc(Cl)c21 ZINC000034588836 343275325 /nfs/dbraw/zinc/27/53/25/343275325.db2.gz NNNBYOYSLQUCNI-UHFFFAOYSA-N -1 0 217.633 1.347 50 0 BDAARM CC1(C)CC(=O)c2c([O-])cc(=O)oc2C1 ZINC000109970531 343277075 /nfs/dbraw/zinc/27/70/75/343277075.db2.gz DGRYCYFPFHXVEL-UHFFFAOYSA-N -1 0 208.213 1.501 50 0 BDAARM CCN(CC)C(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000034926443 343280523 /nfs/dbraw/zinc/28/05/23/343280523.db2.gz SVBVVSCJEKVQRD-YUMQZZPRSA-N -1 0 213.277 1.212 50 0 BDAARM CCS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000036893945 343326550 /nfs/dbraw/zinc/32/65/50/343326550.db2.gz PEGYNVXLVMKJDU-UHFFFAOYSA-N -1 0 232.232 1.318 50 0 BDAARM Cn1cc(C(=O)[O-])c(-c2cccnc2)n1 ZINC000036894489 343326703 /nfs/dbraw/zinc/32/67/03/343326703.db2.gz UWNLVSVYDLBPRD-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM O=C([O-])c1ccn2ncc(Br)c2c1 ZINC000035269964 343291473 /nfs/dbraw/zinc/29/14/73/343291473.db2.gz HFRVEDSVNLUWFD-UHFFFAOYSA-N -1 0 241.044 1.795 50 0 BDAARM CCN(CC)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000035347386 343294559 /nfs/dbraw/zinc/29/45/59/343294559.db2.gz DGZGEKOOJZWDQO-UHFFFAOYSA-N -1 0 221.256 1.867 50 0 BDAARM O=C([O-])c1cccc(NS(=O)(=O)C2CC2)c1 ZINC000038478424 343375346 /nfs/dbraw/zinc/37/53/46/343375346.db2.gz BFNQJTNDRTVEPZ-UHFFFAOYSA-N -1 0 241.268 1.289 50 0 BDAARM O=C([O-])c1ccc(NS(=O)(=O)C2CC2)cc1 ZINC000038478423 343375374 /nfs/dbraw/zinc/37/53/74/343375374.db2.gz KMXLHGRCBULTPB-UHFFFAOYSA-N -1 0 241.268 1.289 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C(C)(C)F ZINC000038528670 343375876 /nfs/dbraw/zinc/37/58/76/343375876.db2.gz OFCALSFZTOBZCI-LURJTMIESA-N -1 0 235.255 1.712 50 0 BDAARM O=C([O-])c1cc(N2CCNC2=O)ccc1Cl ZINC000037484022 343346693 /nfs/dbraw/zinc/34/66/93/343346693.db2.gz RYLWJXSPVCHJTQ-UHFFFAOYSA-N -1 0 240.646 1.568 50 0 BDAARM O=C([O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000038974169 343380720 /nfs/dbraw/zinc/38/07/20/343380720.db2.gz CKIPXLZSJUHFDD-MRVPVSSYSA-N -1 0 200.621 1.501 50 0 BDAARM Nc1c(C(=O)[O-])cnn1CCc1ccccc1 ZINC000040457248 343404583 /nfs/dbraw/zinc/40/45/83/343404583.db2.gz BUIOXPURLQOTLB-UHFFFAOYSA-N -1 0 231.255 1.406 50 0 BDAARM Cc1nc(C)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000041062845 343413958 /nfs/dbraw/zinc/41/39/58/343413958.db2.gz SAZZTADGKDAIAE-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1conc1NC(=O)[C@@H](C)C(F)(F)F ZINC000335698189 136327828 /nfs/dbraw/zinc/32/78/28/136327828.db2.gz JSLJRCPGSCVWIE-RXMQYKEDSA-N -1 0 222.166 1.542 50 0 BDAARM Nc1cc(-n2ccnc2)ccc1C(=O)[O-] ZINC000042684262 343447822 /nfs/dbraw/zinc/44/78/22/343447822.db2.gz MABIXNJFYSFLOR-UHFFFAOYSA-N -1 0 203.201 1.153 50 0 BDAARM CC(C)(C)NC(=O)Nc1ncc(C(=O)[O-])s1 ZINC000720019407 537831836 /nfs/dbraw/zinc/83/18/36/537831836.db2.gz WIJDCJUOVVJZQO-UHFFFAOYSA-N -1 0 243.288 1.761 50 0 BDAARM CCSCc1nc(=O)c2nscc2[n-]1 ZINC000585137266 344149068 /nfs/dbraw/zinc/14/90/68/344149068.db2.gz PMSSVMWMWQJUBQ-UHFFFAOYSA-N -1 0 227.314 1.633 50 0 BDAARM O=C1NC(=O)C(=Cc2cccnc2)S1 ZINC000011565477 344376633 /nfs/dbraw/zinc/37/66/33/344376633.db2.gz TXSRCDFKQZSXES-DAXSKMNVSA-N -1 0 206.226 1.406 50 0 BDAARM O=C([O-])c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC000238651030 344754935 /nfs/dbraw/zinc/75/49/35/344754935.db2.gz LAFPNIUVRIVWTD-VIFPVBQESA-N -1 0 205.213 1.336 50 0 BDAARM COc1ccc(C(=O)[O-])c(O)c1Cl ZINC000215129354 345842766 /nfs/dbraw/zinc/84/27/66/345842766.db2.gz HKUZSKAADCILNS-UHFFFAOYSA-N -1 0 202.593 1.752 50 0 BDAARM Nc1n[nH]cc1C([O-])(C(F)(F)F)C(F)(F)F ZINC000001428073 346044158 /nfs/dbraw/zinc/04/41/58/346044158.db2.gz JEKHHJOHGHPLGK-UHFFFAOYSA-N -1 0 249.114 1.304 50 0 BDAARM Cc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC000020216582 179000614 /nfs/dbraw/zinc/00/06/14/179000614.db2.gz SLGDDWABRNAGHM-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM Cc1cccc(/C=C2\NC(=O)[N-]C2=O)c1 ZINC000012410471 179002642 /nfs/dbraw/zinc/00/26/42/179002642.db2.gz XWKLMEXYFOBTGK-TWGQIWQCSA-N -1 0 202.213 1.175 50 0 BDAARM C[C@@H](CC(=O)c1cccc(N)c1)C(=O)[O-] ZINC000000345362 346413507 /nfs/dbraw/zinc/41/35/07/346413507.db2.gz DTSNXCOYNWGRNW-ZETCQYMHSA-N -1 0 207.229 1.562 50 0 BDAARM Cc1cccc(CN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000009235646 179084571 /nfs/dbraw/zinc/08/45/71/179084571.db2.gz POPMIPHYUYEILT-LLVKDONJSA-N -1 0 233.267 1.428 50 0 BDAARM Cc1cccc(N2CC[C@H](C(=O)[O-])C2=O)c1 ZINC000002520437 179123004 /nfs/dbraw/zinc/12/30/04/179123004.db2.gz CDYNQYZODLGTJT-JTQLQIEISA-N -1 0 219.240 1.433 50 0 BDAARM Cc1cccc(NC(=O)/C=C\C(=O)[O-])c1 ZINC000031638490 179125432 /nfs/dbraw/zinc/12/54/32/179125432.db2.gz GTNDLSMAJWWVCH-WAYWQWQTSA-N -1 0 205.213 1.574 50 0 BDAARM Cc1cccc(Nc2nncc(=O)[n-]2)c1 ZINC000008913894 179160377 /nfs/dbraw/zinc/16/03/77/179160377.db2.gz HRFYUNMXLXGSEI-UHFFFAOYSA-N -1 0 202.217 1.629 50 0 BDAARM CC[C@@H](C)NC(=O)N[C@H](CCSC)C(=O)[O-] ZINC000015996184 347140210 /nfs/dbraw/zinc/14/02/10/347140210.db2.gz MNNVREBBUWVNQK-HTQZYQBOSA-N -1 0 248.348 1.290 50 0 BDAARM Cc1cccc(OCc2nnn[n-]2)c1C ZINC000004511122 179174047 /nfs/dbraw/zinc/17/40/47/179174047.db2.gz XTWBMIMBYAIOPP-UHFFFAOYSA-N -1 0 204.233 1.396 50 0 BDAARM Cc1cccc2c(=O)n(CCC(=O)[O-])cnc12 ZINC000007989007 179208097 /nfs/dbraw/zinc/20/80/97/179208097.db2.gz QEQPMWBKEFOMIQ-UHFFFAOYSA-N -1 0 232.239 1.180 50 0 BDAARM Cc1cccc2c(O)c(C(=O)[O-])cnc12 ZINC000008804270 179211855 /nfs/dbraw/zinc/21/18/55/179211855.db2.gz UJIRBIMPTSELQD-UHFFFAOYSA-N -1 0 203.197 1.947 50 0 BDAARM Cc1ccccc1-n1cc(C(=O)[O-])cn1 ZINC000019423788 179240749 /nfs/dbraw/zinc/24/07/49/179240749.db2.gz YHBOCRFSDHSZIX-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM Cc1ccccc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097009364 179251328 /nfs/dbraw/zinc/25/13/28/179251328.db2.gz ACDCIGNJWLEXTH-WDEREUQCSA-N -1 0 247.294 1.978 50 0 BDAARM Cc1ccccc1NC(=O)c1[nH]cnc1C(=O)[O-] ZINC000000568682 179302911 /nfs/dbraw/zinc/30/29/11/179302911.db2.gz GGFOWNJUDUCRET-UHFFFAOYSA-N -1 0 245.238 1.669 50 0 BDAARM Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccccc1C ZINC000039381918 179303249 /nfs/dbraw/zinc/30/32/49/179303249.db2.gz PCKBLMHZPWXRRL-UHFFFAOYSA-N -1 0 245.282 1.995 50 0 BDAARM Cc1ccccc1[C@@H]1CN([C@H](C)C(=O)[O-])CCO1 ZINC000299752250 179329823 /nfs/dbraw/zinc/32/98/23/179329823.db2.gz SZWKQYVKIWOBTQ-YPMHNXCESA-N -1 0 249.310 1.841 50 0 BDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC(=O)[O-] ZINC000237632813 179330680 /nfs/dbraw/zinc/33/06/80/179330680.db2.gz MZJJRBCLBRGHRX-QWRGUYRKSA-N -1 0 233.267 1.299 50 0 BDAARM Cc1ccccc1[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000000102670 179332285 /nfs/dbraw/zinc/33/22/85/179332285.db2.gz QZTWUCKRQBPLEB-VHSXEESVSA-N -1 0 223.297 1.783 50 0 BDAARM Cc1ccoc1C(=O)NCCCC(=O)[O-] ZINC000021957185 179505321 /nfs/dbraw/zinc/50/53/21/179505321.db2.gz HPBXAPWALRDJLR-UHFFFAOYSA-N -1 0 211.217 1.183 50 0 BDAARM CC(C)N1C=C([O-])c2ccccc2S1(=O)=O ZINC000005274912 348715035 /nfs/dbraw/zinc/71/50/35/348715035.db2.gz XTLZYHJULCJUMD-UHFFFAOYSA-N -1 0 239.296 1.282 50 0 BDAARM O=C([N-][C@H]1C[C@@H](O)c2ccccc21)C(F)(F)F ZINC000200937253 350001088 /nfs/dbraw/zinc/00/10/88/350001088.db2.gz KNYCCPSQQQDWMZ-DTWKUNHWSA-N -1 0 245.200 1.843 50 0 BDAARM C[C@@H]1Cc2cccc3c2n1c(=O)cc3[O-] ZINC000006382758 538027718 /nfs/dbraw/zinc/02/77/18/538027718.db2.gz ZUMIAKYZCOJMKV-SSDOTTSWSA-N -1 0 201.225 1.551 50 0 BDAARM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)[O-] ZINC000299805658 538030604 /nfs/dbraw/zinc/03/06/04/538030604.db2.gz ZRKOZYSIEWQQQS-YUMQZZPRSA-N -1 0 245.275 1.001 50 0 BDAARM Cc1n[nH]c(C)c1-c1cc(C(=O)[O-])n[nH]1 ZINC000007425240 179816724 /nfs/dbraw/zinc/81/67/24/179816724.db2.gz WCIQNGXBDIBRHO-UHFFFAOYSA-N -1 0 206.205 1.115 50 0 BDAARM Cc1n[n-]c(Nc2cccc(F)c2)nc1=O ZINC000009065899 179838167 /nfs/dbraw/zinc/83/81/67/179838167.db2.gz JAEOZBQSOOMFKC-UHFFFAOYSA-N -1 0 220.207 1.356 50 0 BDAARM CC(C)=CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000085006358 190995508 /nfs/dbraw/zinc/99/55/08/190995508.db2.gz YSDWHLRLCJSTOX-BDAKNGLRSA-N -1 0 211.261 1.322 50 0 BDAARM Cc1nc(NC2CCCC2)ncc1C(=O)[O-] ZINC000072416075 180016133 /nfs/dbraw/zinc/01/61/33/180016133.db2.gz JAHXWODMNWGZPR-UHFFFAOYSA-N -1 0 221.260 1.838 50 0 BDAARM CC(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000088613594 191019691 /nfs/dbraw/zinc/01/96/91/191019691.db2.gz KTAQAILHRQDFQP-UHFFFAOYSA-N -1 0 221.256 1.162 50 0 BDAARM O=C([O-])c1nc(C2CC2)ncc1Br ZINC000090225797 191022614 /nfs/dbraw/zinc/02/26/14/191022614.db2.gz OZBCWWVNZKSSDG-UHFFFAOYSA-N -1 0 243.060 1.815 50 0 BDAARM Cc1nn(C)c2nc(C)c(CC(=O)[O-])c(C)c12 ZINC000021968198 180068958 /nfs/dbraw/zinc/06/89/58/180068958.db2.gz IKKAJNUHDWIDBE-UHFFFAOYSA-N -1 0 233.271 1.521 50 0 BDAARM Cc1nc2ccccc2c(=O)n1[C@@H](C)C(=O)[O-] ZINC000010151856 180100809 /nfs/dbraw/zinc/10/08/09/180100809.db2.gz VLQZTHQZSBGXIJ-ZETCQYMHSA-N -1 0 232.239 1.351 50 0 BDAARM Cc1nc2ccccc2n1CCC(=O)[O-] ZINC000169355460 180102610 /nfs/dbraw/zinc/10/26/10/180102610.db2.gz ZBXHHZFMTRYXCG-UHFFFAOYSA-N -1 0 204.229 1.819 50 0 BDAARM O=C([O-])CN1CCO[C@@H](c2ccccc2F)C1 ZINC000238160853 191073350 /nfs/dbraw/zinc/07/33/50/191073350.db2.gz GAJCQLSXDZDDKG-LLVKDONJSA-N -1 0 239.246 1.284 50 0 BDAARM O=Cc1ccnc(-c2ccc(C(=O)[O-])o2)c1 ZINC000725261112 538086032 /nfs/dbraw/zinc/08/60/32/538086032.db2.gz NJFVEJSWMOCAEC-UHFFFAOYSA-N -1 0 217.180 1.852 50 0 BDAARM Cc1nccn1Cc1ccc(C(=O)[O-])cc1 ZINC000019288199 180268478 /nfs/dbraw/zinc/26/84/78/180268478.db2.gz ZZIJCEAXGOLEIE-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM O=C([O-])c1c(=O)[nH]ccc1C(F)(F)F ZINC000000077842 350314958 /nfs/dbraw/zinc/31/49/58/350314958.db2.gz BTKJQACWGYUCRA-UHFFFAOYSA-N -1 0 207.107 1.092 50 0 BDAARM CN(C)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000031647681 350397028 /nfs/dbraw/zinc/39/70/28/350397028.db2.gz YVQGKOJJBOYTDX-FPLPWBNLSA-N -1 0 234.255 1.332 50 0 BDAARM Cc1nn([C@H](C)C(=O)[O-])cc1Br ZINC000002549498 180393498 /nfs/dbraw/zinc/39/34/98/180393498.db2.gz QLKVMBIXWIDBLA-RXMQYKEDSA-N -1 0 233.065 1.600 50 0 BDAARM O=C([O-])/C=C/C(=O)NCc1ccc(Cl)cc1 ZINC000004904933 191120199 /nfs/dbraw/zinc/12/01/99/191120199.db2.gz LRJZEZSSKPJDCG-AATRIKPKSA-N -1 0 239.658 1.597 50 0 BDAARM Cc1nonc1COc1ccccc1C(=O)[O-] ZINC000014001363 180514137 /nfs/dbraw/zinc/51/41/37/180514137.db2.gz XSLSFNFXNCEJTN-UHFFFAOYSA-N -1 0 234.211 1.655 50 0 BDAARM CCN(CC(=O)[O-])C(=O)c1cccs1 ZINC000038015277 351276083 /nfs/dbraw/zinc/27/60/83/351276083.db2.gz ORIHULZLGBPLIG-UHFFFAOYSA-N -1 0 213.258 1.295 50 0 BDAARM COc1ccc2cc(C(=O)[O-])c(N)nc2c1 ZINC000213613985 363044214 /nfs/dbraw/zinc/04/42/14/363044214.db2.gz CPWUJTUKJDVRBG-UHFFFAOYSA-N -1 0 218.212 1.524 50 0 BDAARM CCCCC[C@@H]1C[C@H](CC(=O)[O-])C(=O)O1 ZINC000002090520 363103312 /nfs/dbraw/zinc/10/33/12/363103312.db2.gz PTYWKTSUOWGNCD-RKDXNWHRSA-N -1 0 214.261 1.973 50 0 biogenic BDAARM O=C([O-])c1ncccc1Br ZINC000002456171 187756645 /nfs/dbraw/zinc/75/66/45/187756645.db2.gz KBDIRPOTVAODSA-UHFFFAOYSA-N -1 0 202.007 1.542 50 0 in-vitro BDAARM CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000004218994 187757206 /nfs/dbraw/zinc/75/72/06/187757206.db2.gz KFZBKMCIJIEDGK-UHFFFAOYSA-N -1 0 247.294 1.651 50 0 BDAARM CC(C)N(C(=O)C(=O)[O-])c1ccccc1 ZINC000005760318 187758551 /nfs/dbraw/zinc/75/85/51/187758551.db2.gz HYHJOUPYTUBFIX-UHFFFAOYSA-N -1 0 207.229 1.513 50 0 in-vitro BDAARM CCn1ncc(C([O-])=CC(=O)C(F)F)c1C ZINC000100497196 187803050 /nfs/dbraw/zinc/80/30/50/187803050.db2.gz FUHLZLWYIZRQOH-UHFFFAOYSA-N -1 0 230.214 1.618 50 0 BDAARM Cn1ccc(C([O-])=CC(=O)C(F)(F)F)n1 ZINC000100786351 187803163 /nfs/dbraw/zinc/80/31/63/187803163.db2.gz NVTALDTVVKDPLD-UHFFFAOYSA-N -1 0 220.150 1.124 50 0 BDAARM CC(=O)[C@H]1[C@H](CC(=O)[O-])C(C)(C)OC1(C)C ZINC000214074632 187830660 /nfs/dbraw/zinc/83/06/60/187830660.db2.gz HBEVASDIEQDACS-WPRPVWTQSA-N -1 0 228.288 1.870 50 0 BDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000012397374 180813283 /nfs/dbraw/zinc/81/32/83/180813283.db2.gz ILJRGEMQNFCPTO-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM Cn1nccc1CNc1ccc(C(=O)[O-])c(O)c1 ZINC000020353753 180846302 /nfs/dbraw/zinc/84/63/02/180846302.db2.gz RIPLJOOCQIZMET-UHFFFAOYSA-N -1 0 247.254 1.436 50 0 BDAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000000997150 188454299 /nfs/dbraw/zinc/45/42/99/188454299.db2.gz NTUMBFHGMUZUBG-ASZHBFLOSA-N -1 0 247.298 1.658 50 0 BDAARM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[O-] ZINC000009646792 188459707 /nfs/dbraw/zinc/45/97/07/188459707.db2.gz BUVFACKZPHADQE-QMMMGPOBSA-N -1 0 217.224 1.586 50 0 BDAARM CC(C)c1ccnc2cc(C(=O)[O-])nn21 ZINC000082379771 188495124 /nfs/dbraw/zinc/49/51/24/188495124.db2.gz UXIYVRZFGKZRGV-UHFFFAOYSA-N -1 0 205.217 1.551 50 0 BDAARM O=C([O-])c1ccccc1C=NNC(=O)C1CC1 ZINC000252452381 363260613 /nfs/dbraw/zinc/26/06/13/363260613.db2.gz FMZORIATKUEVFW-UHFFFAOYSA-N -1 0 232.239 1.245 50 0 BDAARM C/C=C(/C)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000097231263 188545484 /nfs/dbraw/zinc/54/54/84/188545484.db2.gz LBCNDVYEXMWSME-LAUIRUGDSA-N -1 0 211.261 1.276 50 0 BDAARM CC(=NNC(=S)Nc1ccccc1)C(=O)[O-] ZINC000252476996 363340106 /nfs/dbraw/zinc/34/01/06/363340106.db2.gz GGWHUTQKTCPONY-UHFFFAOYSA-N -1 0 237.284 1.845 50 0 BDAARM NC(=O)CSc1n[nH]c(-c2cccs2)n1 ZINC000006473128 181240141 /nfs/dbraw/zinc/24/01/41/181240141.db2.gz SRPATZGMIVGNCJ-UHFFFAOYSA-N -1 0 240.313 1.111 50 0 BDAARM CCC[C@H]1CCCCN1C(=O)[C@H](C)C(=O)[O-] ZINC000165647279 538464324 /nfs/dbraw/zinc/46/43/24/538464324.db2.gz GIXVRHJKLQWEFI-UWVGGRQHSA-N -1 0 227.304 1.888 50 0 BDAARM Cc1onc(-c2cncs2)c1C(=O)[O-] ZINC000675057724 538481021 /nfs/dbraw/zinc/48/10/21/538481021.db2.gz LTSZSPMNDFYDNB-UHFFFAOYSA-N -1 0 210.214 1.805 50 0 BDAARM Cc1onc(-c2cncn2C)c1C(=O)[O-] ZINC000085169215 538539544 /nfs/dbraw/zinc/53/95/44/538539544.db2.gz LOJIHNJETOTWMK-UHFFFAOYSA-N -1 0 207.189 1.082 50 0 BDAARM C[C@@H]1CCO[C@H]1C(=O)Nc1cc(O)cc(F)c1 ZINC000095979233 538612111 /nfs/dbraw/zinc/61/21/11/538612111.db2.gz NKBXWWFLZJQBHE-RDDDGLTNSA-N -1 0 239.246 1.895 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)O[C@H]1C(Cl)(Cl)Cl ZINC000001593203 356985629 /nfs/dbraw/zinc/98/56/29/356985629.db2.gz GOVVZEAQWXZNCC-VVJJHMBFSA-N -1 0 247.461 1.373 50 0 BDAARM C[C@@H](OC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000160493119 538884652 /nfs/dbraw/zinc/88/46/52/538884652.db2.gz JYRPSTXKCHEJTB-RKDXNWHRSA-N -1 0 238.239 1.316 50 0 BDAARM O=C([O-])[C@H]1Cc2ccccc2O[C@H]1C(F)F ZINC000685939317 538886100 /nfs/dbraw/zinc/88/61/00/538886100.db2.gz QYIUGQOEDXBLHI-IONNQARKSA-N -1 0 228.194 1.956 50 0 BDAARM CNC(=S)N=NCc1ccccc1C(=O)[O-] ZINC000001789258 358676011 /nfs/dbraw/zinc/67/60/11/358676011.db2.gz CYVNZYRDZOETEB-UHFFFAOYSA-N -1 0 237.284 1.224 50 0 BDAARM O=C([O-])c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000011730046 359987333 /nfs/dbraw/zinc/98/73/33/359987333.db2.gz JJKGKXLBHLRFGI-UHFFFAOYSA-N -1 0 217.224 1.220 50 0 BDAARM O=C([N-][C@@H]1C[C@@H](O)c2ccccc21)C(F)(F)F ZINC000200937215 360454235 /nfs/dbraw/zinc/45/42/35/360454235.db2.gz KNYCCPSQQQDWMZ-RKDXNWHRSA-N -1 0 245.200 1.843 50 0 BDAARM CCC[C@](C)(NC(=O)C=C(C)C)C(=O)[O-] ZINC000036337362 360932776 /nfs/dbraw/zinc/93/27/76/360932776.db2.gz LBLJUSZQNINDKZ-NSHDSACASA-N -1 0 213.277 1.712 50 0 BDAARM CCC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630233839 364028947 /nfs/dbraw/zinc/02/89/47/364028947.db2.gz HUIPTQZDPGRAIW-UHFFFAOYSA-N -1 0 221.256 1.340 50 0 BDAARM CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000037516610 364140504 /nfs/dbraw/zinc/14/05/04/364140504.db2.gz CEAFTXCGSLKSQD-MNOVXSKESA-N -1 0 233.267 1.760 50 0 BDAARM Oc1ccc(Cl)cc1CN=Nc1nnn[n-]1 ZINC000252631182 364470290 /nfs/dbraw/zinc/47/02/90/364470290.db2.gz VJFSCMPVCARPJJ-UHFFFAOYSA-N -1 0 238.638 1.005 50 0 BDAARM O=C([O-])c1cnc(Cc2cccnc2)nc1 ZINC000054856954 541515681 /nfs/dbraw/zinc/51/56/81/541515681.db2.gz KOTKPLSDCFGMJC-UHFFFAOYSA-N -1 0 215.212 1.161 50 0 BDAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC000101343770 368383934 /nfs/dbraw/zinc/38/39/34/368383934.db2.gz SDTQQTUDFXUEEX-GJMOJQLCSA-N -1 0 227.260 1.326 50 0 BDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1C ZINC000253370507 368939735 /nfs/dbraw/zinc/93/97/35/368939735.db2.gz RQWZKMWZZVGNCL-SOCHQFKDSA-N -1 0 213.277 1.402 50 0 BDAARM Cn1ccc2c(C(=O)[O-])cccc2c1=O ZINC000095628780 371309641 /nfs/dbraw/zinc/30/96/41/371309641.db2.gz JUDGFLIECXYSKD-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 BDAARM O=C([O-])c1ccccc1CC(=O)Nc1cc[nH]n1 ZINC000072405645 182045605 /nfs/dbraw/zinc/04/56/05/182045605.db2.gz VVFDPOZBXZEVFA-UHFFFAOYSA-N -1 0 245.238 1.289 50 0 BDAARM O=C([O-])C1(NC(=O)OCc2ccccc2)CCC1 ZINC000001433308 182088429 /nfs/dbraw/zinc/08/84/29/182088429.db2.gz GDJSFBNRXFOUEQ-UHFFFAOYSA-N -1 0 249.266 1.920 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(C2CC2)CC1 ZINC000097036835 182127490 /nfs/dbraw/zinc/12/74/90/182127490.db2.gz DJJHIOCAVIZSMB-DTWKUNHWSA-N -1 0 223.272 1.014 50 0 BDAARM Cc1cc(=O)n2nc(C3CCCCC3)[n-]c2n1 ZINC000009137478 373458429 /nfs/dbraw/zinc/45/84/29/373458429.db2.gz PCCYQZHJUQIAAU-UHFFFAOYSA-N -1 0 232.287 1.774 50 0 BDAARM O=C([O-])/C=C/c1cc2cccc3c2n(c1=O)CC3 ZINC000000154333 182411850 /nfs/dbraw/zinc/41/18/50/182411850.db2.gz LCYDDSSZZRFPCM-SNAWJCMRSA-N -1 0 241.246 1.655 50 0 biogenic BDAARM O=C([O-])CCNC(=O)C1(Cc2ccccc2)CC1 ZINC000238166479 182446122 /nfs/dbraw/zinc/44/61/22/182446122.db2.gz RWLFFDSILXMQJD-UHFFFAOYSA-N -1 0 247.294 1.600 50 0 BDAARM O=C([O-])CCNC(=O)/C=C\c1ccccc1 ZINC000033378151 182446255 /nfs/dbraw/zinc/44/62/55/182446255.db2.gz RHVXIMHTRDBXMQ-SREVYHEPSA-N -1 0 219.240 1.291 50 0 BDAARM O=C([O-])CCNC(=S)Nc1cccc(F)c1 ZINC000000089613 182446767 /nfs/dbraw/zinc/44/67/67/182446767.db2.gz IDUQJSVSUWHGEQ-UHFFFAOYSA-N -1 0 242.275 1.587 50 0 BDAARM O=C([O-])CCNC(=O)c1ccc(F)cc1 ZINC000008555997 182447102 /nfs/dbraw/zinc/44/71/02/182447102.db2.gz PJBOGHUSZFFYNT-UHFFFAOYSA-N -1 0 211.192 1.030 50 0 BDAARM O=C([O-])COc1ccc(F)cc1-c1ccno1 ZINC000002511178 182470317 /nfs/dbraw/zinc/47/03/17/182470317.db2.gz PJHKJGBSUVCXJB-UHFFFAOYSA-N -1 0 237.186 1.944 50 0 BDAARM O=C([O-])COc1ccc(-n2cccc2)cc1 ZINC000001301178 182470611 /nfs/dbraw/zinc/47/06/11/182470611.db2.gz DBFJZQQWIHMCMZ-UHFFFAOYSA-N -1 0 217.224 1.941 50 0 BDAARM O=C([O-])COc1ccc2c(=O)ccoc2c1 ZINC000016753318 182471597 /nfs/dbraw/zinc/47/15/97/182471597.db2.gz FCMLJZSETDGXNB-UHFFFAOYSA-N -1 0 220.180 1.256 50 0 BDAARM O=C([O-])COc1cccc(NC(=O)C2CC2)c1 ZINC000009668751 182471643 /nfs/dbraw/zinc/47/16/43/182471643.db2.gz FWXXKIDBHZJNTO-UHFFFAOYSA-N -1 0 235.239 1.499 50 0 BDAARM O=C([O-])CSc1nncc(-c2ccccc2)n1 ZINC000000157453 182474492 /nfs/dbraw/zinc/47/44/92/182474492.db2.gz JARKGTQUOUWEGI-UHFFFAOYSA-N -1 0 247.279 1.715 50 0 BDAARM O=C([O-])C[C@@H](O)c1nc2ccccc2[nH]1 ZINC000000099551 182476452 /nfs/dbraw/zinc/47/64/52/182476452.db2.gz JXNVLFRNSKOUIE-MRVPVSSYSA-N -1 0 206.201 1.071 50 0 BDAARM O=C([O-])CS[C@@H](O)C(=O)c1ccccc1 ZINC000003300098 182474057 /nfs/dbraw/zinc/47/40/57/182474057.db2.gz PXMFTQGDYRMEFO-SNVBAGLBSA-N -1 0 226.253 1.006 50 0 BDAARM O=C([O-])[C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000134081965 182517040 /nfs/dbraw/zinc/51/70/40/182517040.db2.gz AEOBGWSMUHRGAG-SNVBAGLBSA-N -1 0 243.266 1.592 50 0 BDAARM O=C([O-])[C@@H](O)Cc1ccc(Cl)cc1 ZINC000032009965 182502462 /nfs/dbraw/zinc/50/24/62/182502462.db2.gz HWVHXAYPEXNZSZ-QMMMGPOBSA-N -1 0 200.621 1.328 50 0 BDAARM O=C([O-])[C@@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000004027307 182519737 /nfs/dbraw/zinc/51/97/37/182519737.db2.gz IXPPKDOOVXQPGI-WPRPVWTQSA-N -1 0 235.264 1.341 50 0 BDAARM O=C([O-])[C@H]1CSC(c2cccnc2)=N1 ZINC000019735674 182543098 /nfs/dbraw/zinc/54/30/98/182543098.db2.gz LJGAQGZEJDQDAU-SSDOTTSWSA-N -1 0 208.242 1.028 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)n1cccn1 ZINC000006343017 182532715 /nfs/dbraw/zinc/53/27/15/182532715.db2.gz OSMWZCZLRCBONG-BDAKNGLRSA-N -1 0 220.228 1.190 50 0 BDAARM O=C([O-])[C@H]1CCN1C(=O)OCc1ccccc1 ZINC000013375225 182538418 /nfs/dbraw/zinc/53/84/18/182538418.db2.gz IUWBMOQXJOJWBF-SNVBAGLBSA-N -1 0 235.239 1.482 50 0 BDAARM O=C([O-])c1cc(/C=C/c2csnn2)ncn1 ZINC000134675431 182551935 /nfs/dbraw/zinc/55/19/35/182551935.db2.gz UDZJEYWLOMOEJY-OWOJBTEDSA-N -1 0 234.240 1.197 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCc1ccccc1 ZINC000037719255 182545912 /nfs/dbraw/zinc/54/59/12/182545912.db2.gz UAOBPCIVWJZAQG-RYUDHWBXSA-N -1 0 247.294 1.456 50 0 BDAARM O=C([O-])c1c(Cl)ccc(Cl)[n+]1[O-] ZINC000004772594 182548079 /nfs/dbraw/zinc/54/80/79/182548079.db2.gz WTJSWPIFABATKI-UHFFFAOYSA-N -1 0 208.000 1.325 50 0 BDAARM O=C([O-])c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000020283620 182563807 /nfs/dbraw/zinc/56/38/07/182563807.db2.gz VNHLEFHDAHNXIU-UHFFFAOYSA-N -1 0 234.186 1.070 50 0 BDAARM O=C([O-])c1cccn1Cc1ccccn1 ZINC000035431426 182583460 /nfs/dbraw/zinc/58/34/60/182583460.db2.gz NXLOOPLVQVHWKI-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM O=C([O-])c1cn(Cc2ccccc2F)nn1 ZINC000013998400 182587542 /nfs/dbraw/zinc/58/75/42/182587542.db2.gz QOQJFBGZXPUNOZ-UHFFFAOYSA-N -1 0 221.191 1.164 50 0 BDAARM O=C([O-])c1cnc2cnc(Br)cn12 ZINC000217391798 182591090 /nfs/dbraw/zinc/59/10/90/182591090.db2.gz PCAKPBMTPAECIY-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM O=C([O-])c1nccnc1C(=O)NC1CCCCC1 ZINC000000187686 182596216 /nfs/dbraw/zinc/59/62/16/182596216.db2.gz RYHMVQMAZRXFMC-UHFFFAOYSA-N -1 0 249.270 1.237 50 0 BDAARM O=Cc1cc(C(=O)[O-])cc2c1OCOC2 ZINC000004025674 182862409 /nfs/dbraw/zinc/86/24/09/182862409.db2.gz KEBABRDEGSDAMC-UHFFFAOYSA-N -1 0 208.169 1.064 50 0 biogenic BDAARM O=c1cnnc(SCc2ccccc2)[n-]1 ZINC000001281250 183305074 /nfs/dbraw/zinc/30/50/74/183305074.db2.gz NWXGZONMDISUET-UHFFFAOYSA-N -1 0 219.269 1.870 50 0 BDAARM S=c1[n-]nc2ccc(-c3ccncc3)nn21 ZINC000061966066 183316650 /nfs/dbraw/zinc/31/66/50/183316650.db2.gz QTOZAFOVCCVELF-UHFFFAOYSA-N -1 0 229.268 1.475 50 0 BDAARM S=c1[n-]nnn1-c1ccc(Cl)cc1 ZINC000003623583 183316702 /nfs/dbraw/zinc/31/67/02/183316702.db2.gz QPTIWFZSPZVBEW-UHFFFAOYSA-N -1 0 212.665 1.604 50 0 BDAARM CCC[C@@H](C)c1nnc(NC(=O)C(=O)[O-])s1 ZINC000020204883 169375339 /nfs/dbraw/zinc/37/53/39/169375339.db2.gz DCVXDGUTJDOPEU-RXMQYKEDSA-N -1 0 243.288 1.465 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@@H](F)C1 ZINC000095616738 166653273 /nfs/dbraw/zinc/65/32/73/166653273.db2.gz VAXFBQGBIHPZCF-YUMQZZPRSA-N -1 0 247.266 1.666 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)[O-])C1 ZINC000091304549 166653416 /nfs/dbraw/zinc/65/34/16/166653416.db2.gz QXRGGYBREHVBNA-QPUJVOFHSA-N -1 0 241.287 1.718 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000002569775 166666152 /nfs/dbraw/zinc/66/61/52/166666152.db2.gz GKRRTFCDSZGFSZ-QMMMGPOBSA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])CSc1nc2ccccc2[nH]1 ZINC000000060423 383821436 /nfs/dbraw/zinc/82/14/36/383821436.db2.gz UYNVBLJQBCTRKV-UHFFFAOYSA-N -1 0 208.242 1.740 50 0 in-vitro BDAARM O=Cc1cn(CC(=O)[O-])nc1-c1ccccc1 ZINC000000067016 383821530 /nfs/dbraw/zinc/82/15/30/383821530.db2.gz ISHHGFBHHJLDAV-UHFFFAOYSA-N -1 0 230.223 1.447 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc(F)cc1 ZINC000000113263 383826788 /nfs/dbraw/zinc/82/67/88/383826788.db2.gz NAPJELQHRKGMDD-UHFFFAOYSA-N -1 0 211.192 1.629 50 0 BDAARM O=C([O-])CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000168977 383838029 /nfs/dbraw/zinc/83/80/29/383838029.db2.gz TVWQKCYNJSKYOP-UHFFFAOYSA-N -1 0 248.065 1.808 50 0 BDAARM O=C([O-])CS(=O)(=O)c1ccc(Cl)cc1 ZINC000000168228 383839285 /nfs/dbraw/zinc/83/92/85/383839285.db2.gz IAONCYGNBVHNCT-UHFFFAOYSA-N -1 0 234.660 1.198 50 0 BDAARM CC(=O)N/C(=C/c1cccs1)C(=O)[O-] ZINC000000201134 383842791 /nfs/dbraw/zinc/84/27/91/383842791.db2.gz GIYLBBHMKLRLOF-VMPITWQZSA-N -1 0 211.242 1.310 50 0 BDAARM O=Cc1sccc1SCC(=O)[O-] ZINC000000334197 383855956 /nfs/dbraw/zinc/85/59/56/383855956.db2.gz BYDYBIUZSOKSKP-UHFFFAOYSA-N -1 0 202.256 1.737 50 0 BDAARM COc1ccc(C[N-]C(=O)C(F)(F)F)cc1 ZINC000000458016 383868083 /nfs/dbraw/zinc/86/80/83/383868083.db2.gz QNFQVUUDXQXNQR-UHFFFAOYSA-N -1 0 233.189 1.874 50 0 BDAARM O=Cc1cccc(OC(F)(F)C(=O)[O-])c1 ZINC000036878460 383916669 /nfs/dbraw/zinc/91/66/69/383916669.db2.gz HWJMEHPPCSMHQO-UHFFFAOYSA-N -1 0 216.139 1.555 50 0 BDAARM CS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000036894018 383918308 /nfs/dbraw/zinc/91/83/08/383918308.db2.gz IZGWQDLOGJHGFQ-UHFFFAOYSA-N -1 0 236.195 1.067 50 0 BDAARM O=C([O-])[C@H]1CCn2c(cnc2C(F)(F)F)C1 ZINC000088613684 383919269 /nfs/dbraw/zinc/91/92/69/383919269.db2.gz AOFKCEUPTSWVON-YFKPBYRVSA-N -1 0 234.177 1.549 50 0 BDAARM Cc1cc(C)n(-c2ccc(N)cc2C(=O)[O-])n1 ZINC000000863720 383884297 /nfs/dbraw/zinc/88/42/97/383884297.db2.gz PAVFCABVTRSAIV-UHFFFAOYSA-N -1 0 231.255 1.770 50 0 BDAARM Cn1nc(C(=O)[O-])cc1-c1ccc2c(c1)OCO2 ZINC000036171419 383886686 /nfs/dbraw/zinc/88/66/86/383886686.db2.gz SOJMBCFMADCRKF-UHFFFAOYSA-N -1 0 246.222 1.514 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000001081347 383889187 /nfs/dbraw/zinc/88/91/87/383889187.db2.gz BUEPEVBYNBQNED-SFYZADRCSA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])CCCC(=O)NCCCc1ccccc1 ZINC000002745377 383986306 /nfs/dbraw/zinc/98/63/06/383986306.db2.gz HNUNGTIMPVGZNU-UHFFFAOYSA-N -1 0 249.310 1.990 50 0 biogenic BDAARM O=C([O-])CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003119561 384000204 /nfs/dbraw/zinc/00/02/04/384000204.db2.gz BSDJCHNAUGZKFS-UHFFFAOYSA-N -1 0 247.172 1.520 50 0 in-vitro BDAARM O=C([O-])CCS(=O)(=O)c1ccccc1Cl ZINC000003269757 384001023 /nfs/dbraw/zinc/00/10/23/384001023.db2.gz SJLMZZSWQNSIIT-UHFFFAOYSA-N -1 0 248.687 1.588 50 0 BDAARM O=C([O-])Cn1nc(C(F)F)cc1C(F)F ZINC000004294604 384053463 /nfs/dbraw/zinc/05/34/63/384053463.db2.gz TXIOULNLSCTYNR-UHFFFAOYSA-N -1 0 226.129 1.843 50 0 BDAARM O=C([O-])CCNc1ccc2c(c1)OCCO2 ZINC000004093170 384038920 /nfs/dbraw/zinc/03/89/20/384038920.db2.gz VOWKZYWNFALNAK-UHFFFAOYSA-N -1 0 223.228 1.344 50 0 BDAARM O=C([O-])CSCc1cn2ccccc2n1 ZINC000004864593 384085054 /nfs/dbraw/zinc/08/50/54/384085054.db2.gz ZMUBWOVMXFJDAC-UHFFFAOYSA-N -1 0 222.269 1.652 50 0 BDAARM CC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1 ZINC000004792293 384080071 /nfs/dbraw/zinc/08/00/71/384080071.db2.gz BYHBHNKBISXCEP-DAXSKMNVSA-N -1 0 206.197 1.710 50 0 BDAARM O=C([O-])COc1cccc2cnccc21 ZINC000039334992 384110735 /nfs/dbraw/zinc/11/07/35/384110735.db2.gz LBTFJCUQNGDFML-UHFFFAOYSA-N -1 0 203.197 1.698 50 0 in-vitro BDAARM O=C([O-])c1nc2c(cc1Cl)SCC(=O)N2 ZINC000091297247 384116029 /nfs/dbraw/zinc/11/60/29/384116029.db2.gz AJXKJDTWXSWNQS-UHFFFAOYSA-N -1 0 244.659 1.477 50 0 BDAARM COC(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000005675179 384123565 /nfs/dbraw/zinc/12/35/65/384123565.db2.gz PVHMYONDAPXJSB-DAXSKMNVSA-N -1 0 206.197 1.571 50 0 BDAARM O=C([O-])CC[C@H]1Sc2ccccc2NC1=O ZINC000006243627 384148400 /nfs/dbraw/zinc/14/84/00/384148400.db2.gz CIIZCVMHELVRTD-SECBINFHSA-N -1 0 237.280 1.964 50 0 BDAARM CC(C)[C@H](C(=O)[O-])N1Cc2cccnc2C1=O ZINC000040449762 384153890 /nfs/dbraw/zinc/15/38/90/384153890.db2.gz IUVJQLCLTUQTTJ-SNVBAGLBSA-N -1 0 234.255 1.147 50 0 BDAARM O=C([O-])c1cn(C2CCCCCC2)nn1 ZINC000071746696 384176487 /nfs/dbraw/zinc/17/64/87/384176487.db2.gz HSFDQGMFALCBJM-UHFFFAOYSA-N -1 0 209.249 1.872 50 0 BDAARM O=C([O-])C1(c2ccc(F)cc2)CC(O)C1 ZINC000071654941 384173988 /nfs/dbraw/zinc/17/39/88/384173988.db2.gz GLMOPVQMTLKNAR-UHFFFAOYSA-N -1 0 210.204 1.303 50 0 BDAARM O=C([O-])CCSc1nncn1-c1ccccc1 ZINC000008715442 384213231 /nfs/dbraw/zinc/21/32/31/384213231.db2.gz QHGFMLPJDMCKDL-UHFFFAOYSA-N -1 0 249.295 1.834 50 0 BDAARM Cc1n[n-]c(Nc2ccc(N(C)C)cc2)nc1=O ZINC000008742642 384215266 /nfs/dbraw/zinc/21/52/66/384215266.db2.gz LYWXGDQJOVVVLM-UHFFFAOYSA-N -1 0 245.286 1.283 50 0 BDAARM COc1ccccc1NC(=O)CC(=O)[O-] ZINC000009304558 384242250 /nfs/dbraw/zinc/24/22/50/384242250.db2.gz AAQSCQXXRMZCDK-UHFFFAOYSA-N -1 0 209.201 1.108 50 0 BDAARM O=C([O-])/C=C/c1ccc(-n2cccn2)cc1 ZINC000012336486 384309684 /nfs/dbraw/zinc/30/96/84/384309684.db2.gz ATCGQJDBESLWCP-QPJJXVBHSA-N -1 0 214.224 1.970 50 0 BDAARM Cc1noc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000012370444 384314038 /nfs/dbraw/zinc/31/40/38/384314038.db2.gz KXXLPIJOPGBFTA-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM CC[C@H](NC(=O)c1cc(C)cc(F)c1)C(=O)[O-] ZINC000097018479 384284627 /nfs/dbraw/zinc/28/46/27/384284627.db2.gz JYGXVWHJAXQKBI-JTQLQIEISA-N -1 0 239.246 1.727 50 0 BDAARM Cc1ccc(CCC(=O)N(C)CCC(=O)[O-])o1 ZINC000097018608 384286037 /nfs/dbraw/zinc/28/60/37/384286037.db2.gz GGJFZPTZRDVTEC-UHFFFAOYSA-N -1 0 239.271 1.454 50 0 BDAARM O=C([O-])Cc1cnnn1-c1ccccc1F ZINC000011888223 384300779 /nfs/dbraw/zinc/30/07/79/384300779.db2.gz RIVSOCYMSJUGGY-UHFFFAOYSA-N -1 0 221.191 1.034 50 0 BDAARM Cc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000011891648 384301458 /nfs/dbraw/zinc/30/14/58/384301458.db2.gz MGMCLJIRNXMSQX-UHFFFAOYSA-N -1 0 207.229 1.200 50 0 BDAARM C/C(=C\c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000011976073 384303766 /nfs/dbraw/zinc/30/37/66/384303766.db2.gz DRFONMHZQODIRJ-QPJJXVBHSA-N -1 0 206.197 1.903 50 0 BDAARM O=C([O-])C1CCN(C(=O)c2ccncc2)CC1 ZINC000012926565 384344238 /nfs/dbraw/zinc/34/42/38/384344238.db2.gz PGQVNJCDBHHSMK-UHFFFAOYSA-N -1 0 234.255 1.018 50 0 BDAARM O=C([O-])[C@@H]1CNc2cc(Cl)ccc2O1 ZINC000075422856 384323907 /nfs/dbraw/zinc/32/39/07/384323907.db2.gz ZVDAUGDLMLQGFD-QMMMGPOBSA-N -1 0 213.620 1.598 50 0 BDAARM C[C@]1(NC(=O)c2ccc(C(=O)[O-])cc2)CCOC1 ZINC000164865491 384327059 /nfs/dbraw/zinc/32/70/59/384327059.db2.gz YMADMHKAPGYWJT-ZDUSSCGKSA-N -1 0 249.266 1.294 50 0 BDAARM Cn1cc(Nc2ccccc2)c(C(=O)[O-])n1 ZINC000075627469 384332673 /nfs/dbraw/zinc/33/26/73/384332673.db2.gz ATQBNDWOAWTPPU-UHFFFAOYSA-N -1 0 217.228 1.862 50 0 BDAARM CCS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000095829215 384399687 /nfs/dbraw/zinc/39/96/87/384399687.db2.gz QCNMOVHJPAKHRU-UHFFFAOYSA-N -1 0 228.269 1.107 50 0 BDAARM CCOP(=O)(OCC)C1(C(=O)[O-])CC1 ZINC000004482210 384377804 /nfs/dbraw/zinc/37/78/04/384377804.db2.gz SGMINOGKRUHAHF-UHFFFAOYSA-N -1 0 222.177 1.870 50 0 BDAARM CC(C)(C)OC(=O)N1CCC(=O)C=C1[O-] ZINC000095616279 384382625 /nfs/dbraw/zinc/38/26/25/384382625.db2.gz SLCAHLSQXDNQSF-UHFFFAOYSA-N -1 0 213.233 1.113 50 0 BDAARM CO[N-]C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000134764914 384386979 /nfs/dbraw/zinc/38/69/79/384386979.db2.gz WXQUUWSYOBDXAE-UHFFFAOYSA-N -1 0 246.625 1.095 50 0 BDAARM C[C@H](NC(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000059984117 384390937 /nfs/dbraw/zinc/39/09/37/384390937.db2.gz IQPKRTJFEUPKGN-LURJTMIESA-N -1 0 243.209 1.097 50 0 BDAARM Cc1cc([N-]S(=O)(=O)c2ccccc2)no1 ZINC000000191309 384450006 /nfs/dbraw/zinc/45/00/06/384450006.db2.gz SQNUDFDMVUDDJY-UHFFFAOYSA-N -1 0 238.268 1.784 50 0 aggregator BDAARM Cc1n[n-]c(SCCC(C)C)nc1=O ZINC000096318805 384453998 /nfs/dbraw/zinc/45/39/98/384453998.db2.gz LSPCLSHTUUTGJB-UHFFFAOYSA-N -1 0 213.306 1.612 50 0 BDAARM Cc1nc(-c2ccccn2)[nH]c(=O)c1C ZINC000015445933 384430512 /nfs/dbraw/zinc/43/05/12/384430512.db2.gz RVSHHTOLEDONMB-UHFFFAOYSA-N -1 0 201.229 1.449 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)[O-])C[C@H]2C1 ZINC000096893839 384482182 /nfs/dbraw/zinc/48/21/82/384482182.db2.gz RMTDJEYZSNNPNM-QPUJVOFHSA-N -1 0 241.287 1.718 50 0 BDAARM CCn1c2ccccc2nc1[P@@](C)(=O)[O-] ZINC000169336876 384487214 /nfs/dbraw/zinc/48/72/14/384487214.db2.gz JIFADZJWQWDHSZ-UHFFFAOYSA-N -1 0 224.200 1.582 50 0 BDAARM O=C([O-])CC[C@@H]1C(=O)Nc2ccccc21 ZINC000019701876 384535878 /nfs/dbraw/zinc/53/58/78/384535878.db2.gz BFQGSVVUAHHSFU-QMMMGPOBSA-N -1 0 205.213 1.587 50 0 biogenic BDAARM O=C([O-])CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000019277675 384516753 /nfs/dbraw/zinc/51/67/53/384516753.db2.gz LHSYLPPPCKSEOW-UHFFFAOYSA-N -1 0 249.266 1.815 50 0 BDAARM Nc1cc(Br)c(F)cc1C(=O)[O-] ZINC000097447181 384522663 /nfs/dbraw/zinc/52/26/63/384522663.db2.gz ACAXDURFMBWUGX-UHFFFAOYSA-N -1 0 234.024 1.869 50 0 BDAARM O=C([O-])C[C@H]1Cn2c3ccccc3nc2NC1=O ZINC000019702650 384533824 /nfs/dbraw/zinc/53/38/24/384533824.db2.gz ULHXWJCMBYFRPF-ZETCQYMHSA-N -1 0 245.238 1.079 50 0 BDAARM CCc1cccc(C)c1NC(=O)C(=O)[O-] ZINC000020185076 384588667 /nfs/dbraw/zinc/58/86/67/384588667.db2.gz SAWXESXDACFEPC-UHFFFAOYSA-N -1 0 207.229 1.581 50 0 BDAARM O=C([O-])c1cc(F)c(-n2cccn2)c(F)c1F ZINC000098210499 384603438 /nfs/dbraw/zinc/60/34/38/384603438.db2.gz UCCFAGMFTYSQGG-UHFFFAOYSA-N -1 0 242.156 1.988 50 0 BDAARM O=C([O-])CCCc1ccc2c(c1)CC(=O)N2 ZINC000020217135 384603941 /nfs/dbraw/zinc/60/39/41/384603941.db2.gz AKRKNRCNQNYUSB-UHFFFAOYSA-N -1 0 219.240 1.589 50 0 BDAARM Cc1noc(COc2ccccc2C(=O)[O-])n1 ZINC000020253521 384605559 /nfs/dbraw/zinc/60/55/59/384605559.db2.gz RWTIWBZJBFRCFM-UHFFFAOYSA-N -1 0 234.211 1.655 50 0 BDAARM CCc1c(C(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000050214237 384609504 /nfs/dbraw/zinc/60/95/04/384609504.db2.gz DBYGVJYOSBEGGI-UHFFFAOYSA-N -1 0 249.245 1.726 50 0 BDAARM O=C([O-])[C@@H]1CSC=C(c2ccc(F)cc2)N1 ZINC000100025188 384611345 /nfs/dbraw/zinc/61/13/45/384611345.db2.gz HSZMBOXVDGPRRJ-JTQLQIEISA-N -1 0 239.271 1.914 50 0 BDAARM O=C([O-])C1(C(=O)Nc2cccc(F)c2)CC1 ZINC000050290383 384615359 /nfs/dbraw/zinc/61/53/59/384615359.db2.gz LPWTYNCDRVZJMN-UHFFFAOYSA-N -1 0 223.203 1.629 50 0 BDAARM O=C([O-])Cc1cc(=O)n2c3ccccc3nc2[nH]1 ZINC000100127259 384618995 /nfs/dbraw/zinc/61/89/95/384618995.db2.gz JUOTUKGVQDJSDQ-UHFFFAOYSA-N -1 0 243.222 1.215 50 0 BDAARM CC(=O)C=C([O-])C(F)(F)C(F)(F)F ZINC000100321874 384634423 /nfs/dbraw/zinc/63/44/23/384634423.db2.gz URZZSPYOFOTILI-UHFFFAOYSA-N -1 0 204.094 1.732 50 0 BDAARM O=C([O-])c1ccc2nnc(C3CC3)n2c1 ZINC000050615287 384636793 /nfs/dbraw/zinc/63/67/93/384636793.db2.gz IQIUVUKBNCBABR-UHFFFAOYSA-N -1 0 203.201 1.305 50 0 BDAARM CC([O-])=C1N=C(c2ccccc2)OC1=O ZINC000101922345 384693566 /nfs/dbraw/zinc/69/35/66/384693566.db2.gz OZORIGJYEQJZCR-VQHVLOKHSA-N -1 0 203.197 1.780 50 0 BDAARM O=C([O-])Cc1cccc(N2CCCC2=O)c1 ZINC000082656330 384699894 /nfs/dbraw/zinc/69/98/94/384699894.db2.gz YWWVWWWUWFEZKC-UHFFFAOYSA-N -1 0 219.240 1.441 50 0 BDAARM CC(C)(C)OC(=O)NCCOCCC(=O)[O-] ZINC000083254074 384753752 /nfs/dbraw/zinc/75/37/52/384753752.db2.gz YGNSGMAPLOVGIU-UHFFFAOYSA-N -1 0 233.264 1.002 50 0 BDAARM O=C([O-])[C@H](O)c1cccc(OC(F)(F)F)c1 ZINC000083302358 384758274 /nfs/dbraw/zinc/75/82/74/384758274.db2.gz CANNFMISEMEBIT-SSDOTTSWSA-N -1 0 236.145 1.703 50 0 BDAARM O=C([O-])/C=C\C(=O)Nc1cccc(Cl)c1 ZINC000029786494 385004474 /nfs/dbraw/zinc/00/44/74/385004474.db2.gz VGCOUGYIWJRLKT-PLNGDYQASA-N -1 0 225.631 1.919 50 0 BDAARM O=C([O-])C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000031775789 385103531 /nfs/dbraw/zinc/10/35/31/385103531.db2.gz OFKIOTGJRRETMO-UHFFFAOYSA-N -1 0 244.250 1.137 50 0 biogenic BDAARM CCOc1ccccc1NC(=O)/C=C\C(=O)[O-] ZINC000032511740 385170094 /nfs/dbraw/zinc/17/00/94/385170094.db2.gz BLCLJDWSZXZERU-FPLPWBNLSA-N -1 0 235.239 1.665 50 0 BDAARM O=c1[n-]nc(Cc2ccc(F)cc2F)o1 ZINC000063110919 385208517 /nfs/dbraw/zinc/20/85/17/385208517.db2.gz GLFFKBACPQWXCX-UHFFFAOYSA-N -1 0 212.155 1.644 50 0 BDAARM COc1c(C)cc(C(=O)NCC(=O)[O-])cc1C ZINC000192849148 385374209 /nfs/dbraw/zinc/37/42/09/385374209.db2.gz ALYNLYJGUKTZAY-UHFFFAOYSA-N -1 0 237.255 1.126 50 0 BDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000155903471 385420254 /nfs/dbraw/zinc/42/02/54/385420254.db2.gz XENHMTYDWHZUSZ-FBIMIBRVSA-N -1 0 248.282 1.117 50 0 BDAARM O=C(Cc1nnn[n-]1)Nc1ccccc1Cl ZINC000095237743 385854755 /nfs/dbraw/zinc/85/47/55/385854755.db2.gz VINJZVDQODMHKO-UHFFFAOYSA-N -1 0 237.650 1.034 50 0 BDAARM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)[O-] ZINC000216636023 385869693 /nfs/dbraw/zinc/86/96/93/385869693.db2.gz CZHREJZYTWIJKW-SSDOTTSWSA-N -1 0 229.276 1.717 50 0 BDAARM O=C([O-])CC[C@@]1(Cc2ccco2)CCC(=O)N1 ZINC000299776712 386489925 /nfs/dbraw/zinc/48/99/25/386489925.db2.gz DDICOVGBKIVWGB-GFCCVEGCSA-N -1 0 237.255 1.336 50 0 BDAARM O=C([O-])c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000238662398 386520577 /nfs/dbraw/zinc/52/05/77/386520577.db2.gz RKGYPLKKIHKAJB-UHFFFAOYSA-N -1 0 207.107 1.504 50 0 BDAARM Cc1cccnc1CC(=O)NC1(C(=O)[O-])CCC1 ZINC000225886542 386733764 /nfs/dbraw/zinc/73/37/64/386733764.db2.gz ILOJDSYSLYEDAB-UHFFFAOYSA-N -1 0 248.282 1.056 50 0 BDAARM CC(C)Cn1nnc2c1C[C@@H](C(=O)[O-])CC2 ZINC000536948764 387160764 /nfs/dbraw/zinc/16/07/64/387160764.db2.gz REGDFICWYLWJDF-QMMMGPOBSA-N -1 0 223.276 1.124 50 0 BDAARM CCN(CC(=O)[O-])C(=O)C1CCCCCC1 ZINC000053713543 387435233 /nfs/dbraw/zinc/43/52/33/387435233.db2.gz RKADMVQADPRKQC-UHFFFAOYSA-N -1 0 227.304 1.890 50 0 BDAARM O=C([O-])CCNC(=O)Cn1ccc2ccccc21 ZINC000036369989 387484372 /nfs/dbraw/zinc/48/43/72/387484372.db2.gz UPZRIANLEODVIJ-UHFFFAOYSA-N -1 0 246.266 1.232 50 0 biogenic BDAARM C[C@@H](CC(=O)[O-])NC(=O)c1cccc2cc[nH]c21 ZINC000088731040 387677551 /nfs/dbraw/zinc/67/75/51/387677551.db2.gz IKDPCGFUPJONNH-QMMMGPOBSA-N -1 0 246.266 1.761 50 0 BDAARM Cc1cc(C)cc(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000021952005 177892874 /nfs/dbraw/zinc/89/28/74/177892874.db2.gz IYQLWECMHKYIBP-VIFPVBQESA-N -1 0 221.256 1.506 50 0 BDAARM Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)[O-] ZINC000002732148 177832150 /nfs/dbraw/zinc/83/21/50/177832150.db2.gz CJXYLBTXKQWNPH-YFKPBYRVSA-N -1 0 222.166 1.856 50 0 BDAARM Cc1cc(C(=O)NC[C@@H](C)C(=O)[O-])c(C)s1 ZINC000054333252 177786718 /nfs/dbraw/zinc/78/67/18/177786718.db2.gz BSAGFXQOBNEBKK-ZCFIWIBFSA-N -1 0 241.312 1.815 50 0 BDAARM O=C([O-])Cc1ccc2c(c1)NC(=O)CS2 ZINC000082599878 388124213 /nfs/dbraw/zinc/12/42/13/388124213.db2.gz IJIVYLBMSAGIAE-UHFFFAOYSA-N -1 0 223.253 1.358 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000170625941 388261154 /nfs/dbraw/zinc/26/11/54/388261154.db2.gz GUXFPHRQZJBAQP-NXEZZACHSA-N -1 0 225.288 1.500 50 0 BDAARM CN(Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)[O-] ZINC000252493118 388369695 /nfs/dbraw/zinc/36/96/95/388369695.db2.gz MZOLSVCTMXMBQA-NSHDSACASA-N -1 0 248.282 1.397 50 0 BDAARM Cc1nc(-c2cccc(C(=O)[O-])n2)c(C)n1C ZINC000076029546 388370006 /nfs/dbraw/zinc/37/00/06/388370006.db2.gz SLIIVDNTPQVTPX-UHFFFAOYSA-N -1 0 231.255 1.797 50 0 BDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccnc1Cl ZINC000195541803 388479315 /nfs/dbraw/zinc/47/93/15/388479315.db2.gz ZDPUYGWGPQYPGU-LURJTMIESA-N -1 0 242.662 1.280 50 0 BDAARM CCCc1nc(C[S@@](=O)CC(=O)[O-])cs1 ZINC000379878288 256861827 /nfs/dbraw/zinc/86/18/27/256861827.db2.gz BDMXWMVSKIDVNP-OAHLLOKOSA-N -1 0 247.341 1.429 50 0 BDAARM C/C=C(\C)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000222161399 388614211 /nfs/dbraw/zinc/61/42/11/388614211.db2.gz IFECASWTFYTZCN-FPYGCLRLSA-N -1 0 211.261 1.276 50 0 BDAARM CC(=O)Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000187700 388577140 /nfs/dbraw/zinc/57/71/40/388577140.db2.gz BLZKIXNZGXLIKB-VOTSOKGWSA-N -1 0 248.238 1.224 50 0 BDAARM O=C([O-])C1(NC(=O)CCc2cccs2)CC1 ZINC000095961385 388796514 /nfs/dbraw/zinc/79/65/14/388796514.db2.gz OLAFBQATKOCSNI-UHFFFAOYSA-N -1 0 239.296 1.414 50 0 BDAARM CC[C@@H](C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000096480187 388819398 /nfs/dbraw/zinc/81/93/98/388819398.db2.gz QXZUARYVSUERGZ-KCJUWKMLSA-N -1 0 215.293 1.792 50 0 BDAARM CC(C)(C)c1ccc([N-]S(C)(=O)=O)nn1 ZINC000225586370 388838015 /nfs/dbraw/zinc/83/80/15/388838015.db2.gz GADXPGTYAVUQDK-UHFFFAOYSA-N -1 0 229.305 1.146 50 0 BDAARM CN(CCC(=O)[O-])C(=O)CC[C@H]1CCCOC1 ZINC000299752905 388845585 /nfs/dbraw/zinc/84/55/85/388845585.db2.gz VYKAQJJWVDQDAX-SNVBAGLBSA-N -1 0 243.303 1.126 50 0 BDAARM Cc1cccc(N2CCC(C(=O)[O-])CC2)n1 ZINC000098213653 132312021 /nfs/dbraw/zinc/31/20/21/132312021.db2.gz JAGCDIFRPQLMFN-UHFFFAOYSA-N -1 0 220.272 1.691 50 0 BDAARM Cc1cc(C)nc(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000004399971 132316607 /nfs/dbraw/zinc/31/66/07/132316607.db2.gz YCSSRSNBRMYUKP-JTQLQIEISA-N -1 0 235.287 1.394 50 0 BDAARM O=C([O-])[C@@H]1CCCN(c2ccccn2)C1 ZINC000004384477 132316778 /nfs/dbraw/zinc/31/67/78/132316778.db2.gz QZQCXIGVFAOJNE-SECBINFHSA-N -1 0 206.245 1.383 50 0 BDAARM Cc1cc(=O)[nH]c(N2CCC[C@@H](C)C2)n1 ZINC000005625823 132317666 /nfs/dbraw/zinc/31/76/66/132317666.db2.gz UYDSORRDUGJICD-MRVPVSSYSA-N -1 0 207.277 1.315 50 0 BDAARM CCc1c([O-])[nH]c(=S)n(-c2ccccc2)c1=O ZINC000018122007 132323838 /nfs/dbraw/zinc/32/38/38/132323838.db2.gz ADWDYPCDHYOMJO-VIFPVBQESA-N -1 0 248.307 1.872 50 0 BDAARM CC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000019722819 132326373 /nfs/dbraw/zinc/32/63/73/132326373.db2.gz YUNHOVXBDRYDFL-UHFFFAOYSA-N -1 0 219.240 1.684 50 0 BDAARM C[C@@H](NC(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC000036580002 132342267 /nfs/dbraw/zinc/34/22/67/132342267.db2.gz ARPNHZZUYBZAPM-SECBINFHSA-N -1 0 248.282 1.622 50 0 BDAARM Nc1ccc(N2CCSCC2)c(C(=O)[O-])c1 ZINC000037930106 132345857 /nfs/dbraw/zinc/34/58/57/132345857.db2.gz HTDMMZILJVIOAE-UHFFFAOYSA-N -1 0 238.312 1.520 50 0 BDAARM CC/C=C(\C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000221082839 134318414 /nfs/dbraw/zinc/31/84/14/134318414.db2.gz KANMQQCCGJCMSM-LLGDCAAFSA-N -1 0 241.287 1.045 50 0 BDAARM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1CCCCO1)C1CC1 ZINC000261933722 135264519 /nfs/dbraw/zinc/26/45/19/135264519.db2.gz LTHUEYVBMAQBOY-SCZZXKLOSA-N -1 0 241.287 1.020 50 0 BDAARM Cc1noc2ncc(NC(=O)[C@@H](C)C(=O)[O-])cc12 ZINC000263178268 135337873 /nfs/dbraw/zinc/33/78/73/135337873.db2.gz SZSXDDABDWWXDT-RXMQYKEDSA-N -1 0 249.226 1.190 50 0 BDAARM C[C@]1(C(=O)[O-])CCN(c2ncnc3[nH]ccc32)C1 ZINC000263392091 135351237 /nfs/dbraw/zinc/35/12/37/135351237.db2.gz GNUJKJJYISJBJQ-LBPRGKRZSA-N -1 0 246.270 1.259 50 0 BDAARM CC(=O)c1ccc(N(C)C[C@@H](C)C(=O)[O-])nc1 ZINC000263543339 135358729 /nfs/dbraw/zinc/35/87/29/135358729.db2.gz FERVGGJDHPOAGY-MRVPVSSYSA-N -1 0 236.271 1.441 50 0 BDAARM COC(=O)c1cc([O-])c(Cl)cc1[N+](=O)[O-] ZINC000149715954 397910401 /nfs/dbraw/zinc/91/04/01/397910401.db2.gz GTEUEIXVJRNYIO-UHFFFAOYSA-N -1 0 231.591 1.740 50 0 BDAARM O=C([O-])CCCc1ccc2c(c1)OCCO2 ZINC000004277054 397922098 /nfs/dbraw/zinc/92/20/98/397922098.db2.gz ZFCRXHHGVUYVTG-UHFFFAOYSA-N -1 0 222.240 1.865 50 0 BDAARM C/C=C(/C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000225551127 398073143 /nfs/dbraw/zinc/07/31/43/398073143.db2.gz QAEXLQGGWCDCGB-HYHWUIIZSA-N -1 0 227.304 1.816 50 0 BDAARM CN(Cc1ccccn1)c1cccc(C(=O)[O-])n1 ZINC000051042969 398053980 /nfs/dbraw/zinc/05/39/80/398053980.db2.gz WWHFZKHMUGQFQN-UHFFFAOYSA-N -1 0 243.266 1.811 50 0 BDAARM CC[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000044612070 171236804 /nfs/dbraw/zinc/23/68/04/171236804.db2.gz QIXDRLIEARGEQY-SSDOTTSWSA-N -1 0 217.265 1.717 50 0 BDAARM O=C([O-])C1(c2ccc3c(c2)OCCO3)CC1 ZINC000034973929 487572825 /nfs/dbraw/zinc/57/28/25/487572825.db2.gz QVXPITFURMQHIV-UHFFFAOYSA-N -1 0 220.224 1.574 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCCC1 ZINC000034926385 409787919 /nfs/dbraw/zinc/78/79/19/409787919.db2.gz HSPXOWOCHHGYFT-BDAKNGLRSA-N -1 0 225.288 1.356 50 0 BDAARM CC(C)NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000020209181 167075683 /nfs/dbraw/zinc/07/56/83/167075683.db2.gz UKYTVDGCEZQLSZ-JTQLQIEISA-N -1 0 236.271 1.520 50 0 BDAARM CC(C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000371342 167081455 /nfs/dbraw/zinc/08/14/55/167081455.db2.gz JCMHNFKSHATAGJ-RKDXNWHRSA-N -1 0 211.261 1.178 50 0 BDAARM CC(C)OCCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136473183 167193602 /nfs/dbraw/zinc/19/36/02/167193602.db2.gz DFEQCMLJSMLYRJ-JTQLQIEISA-N -1 0 243.303 1.267 50 0 BDAARM CC(C)Oc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1 ZINC000013939908 167291040 /nfs/dbraw/zinc/29/10/40/167291040.db2.gz YRSHNAVIZHLHMV-XFFZJAGNSA-N -1 0 246.266 1.654 50 0 BDAARM CC(C)[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002391126 167345895 /nfs/dbraw/zinc/34/58/95/167345895.db2.gz XPUAXAVJMJDPDH-QMMMGPOBSA-N -1 0 231.292 1.963 50 0 BDAARM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000071797370 167827946 /nfs/dbraw/zinc/82/79/46/167827946.db2.gz HKMOXOCWLLDWTN-RBMBQVQZSA-N -1 0 229.301 1.329 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1O ZINC000034926296 168005401 /nfs/dbraw/zinc/00/54/01/168005401.db2.gz DXAGQZHCBYSYJF-UWVGGRQHSA-N -1 0 249.266 1.688 50 0 BDAARM CON(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118754944 411400492 /nfs/dbraw/zinc/40/04/92/411400492.db2.gz GFTGSOWJZRMVNK-UHFFFAOYSA-N -1 0 238.268 1.750 50 0 BDAARM CCOC(=O)C1(C(=O)[O-])CCCCC1 ZINC000083257066 170189339 /nfs/dbraw/zinc/18/93/39/170189339.db2.gz KXODEDIOXQDDRS-UHFFFAOYSA-N -1 0 200.234 1.585 50 0 BDAARM CCOC(=O)C=C([O-])c1sc(C)nc1C ZINC000082589231 170197567 /nfs/dbraw/zinc/19/75/67/170197567.db2.gz JTEOKENTXPZDLU-UHFFFAOYSA-N -1 0 227.285 1.896 50 0 BDAARM CCOC(=O)c1c([O-])c2ccc(C)nc2[nH]c1=O ZINC000026392053 170288765 /nfs/dbraw/zinc/28/87/65/170288765.db2.gz MLQCLABPIVHEMX-UHFFFAOYSA-N -1 0 248.238 1.114 50 0 BDAARM CCOC(=O)c1c([O-])c(Cl)c(C)[nH]c1=O ZINC000013120056 170289320 /nfs/dbraw/zinc/28/93/20/170289320.db2.gz ZAXKCSJWPKTBLB-UHFFFAOYSA-N -1 0 231.635 1.219 50 0 BDAARM CCOC(=O)c1c[n-]c2c(OC)cccc2c1=O ZINC000008925780 170290136 /nfs/dbraw/zinc/29/01/36/170290136.db2.gz HCYNWEIHLHVPEW-UHFFFAOYSA-N -1 0 247.250 1.713 50 0 biogenic BDAARM CCOC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006843379 170300085 /nfs/dbraw/zinc/30/00/85/170300085.db2.gz ILQPXAAMGKTIPN-UHFFFAOYSA-N -1 0 243.284 1.235 50 0 BDAARM CCOc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000004201408 170537664 /nfs/dbraw/zinc/53/76/64/170537664.db2.gz SGBGGGJESAABIS-QMMMGPOBSA-N -1 0 237.255 1.288 50 0 BDAARM CCOc1ccc(CC(=O)[O-])cc1OC ZINC000000394790 170541374 /nfs/dbraw/zinc/54/13/74/170541374.db2.gz XVNXRPVJRCYHEW-UHFFFAOYSA-N -1 0 210.229 1.721 50 0 BDAARM CCOc1ccc2[nH]c(S(=O)(=O)[O-])nc2c1 ZINC000006458637 170565903 /nfs/dbraw/zinc/56/59/03/170565903.db2.gz ZJBCFDFJDUTQLB-UHFFFAOYSA-N -1 0 242.256 1.208 50 0 BDAARM CC[C@@H](C)[C@@H](C(=O)[O-])n1cccc1C=O ZINC000040488295 170767972 /nfs/dbraw/zinc/76/79/72/170767972.db2.gz ZRGWPEFIQVEQTO-SCZZXKLOSA-N -1 0 209.245 1.972 50 0 BDAARM CC[C@@H]1Oc2ccccc2C(=O)[N-]C1=O ZINC000000134956 171152843 /nfs/dbraw/zinc/15/28/43/171152843.db2.gz FOYZYIYDHVWEDP-QMMMGPOBSA-N -1 0 205.213 1.114 50 0 BDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccoc1C ZINC000095970233 171163305 /nfs/dbraw/zinc/16/33/05/171163305.db2.gz VKFGDNLABAJMRB-LBPRGKRZSA-N -1 0 239.271 1.961 50 0 BDAARM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000019258939 171248243 /nfs/dbraw/zinc/24/82/43/171248243.db2.gz BGYPWZQLAHUGGX-DTWKUNHWSA-N -1 0 213.277 1.356 50 0 BDAARM CC[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000019259538 171253669 /nfs/dbraw/zinc/25/36/69/171253669.db2.gz QJLZYNXRYSLEOV-CIUDSAMLSA-N -1 0 215.293 1.648 50 0 BDAARM CC[C@H](C)[C@H](Nc1ncnc2nc[nH]c21)C(=O)[O-] ZINC000001683948 171399700 /nfs/dbraw/zinc/39/97/00/171399700.db2.gz DYJGDOBRQHPAGK-BQBZGAKWSA-N -1 0 249.274 1.264 50 0 BDAARM N#CNc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000016857703 412244396 /nfs/dbraw/zinc/24/43/96/412244396.db2.gz HJIOANBIHWDTJQ-UHFFFAOYSA-N -1 0 212.212 1.742 50 0 BDAARM CCc1nn2c([n-]1)nc(C)c(Cl)c2=O ZINC000017056716 172014785 /nfs/dbraw/zinc/01/47/85/172014785.db2.gz IMNDAUQMYPWBQS-UHFFFAOYSA-N -1 0 212.640 1.354 50 0 BDAARM CCc1noc(-c2cccc(C(=O)[O-])c2)n1 ZINC000012359918 172072518 /nfs/dbraw/zinc/07/25/18/172072518.db2.gz UDGPERFBSLKMSD-UHFFFAOYSA-N -1 0 218.212 1.997 50 0 BDAARM CCc1occc1C(=O)NCC1(C(=O)[O-])CC1 ZINC000234141123 172115045 /nfs/dbraw/zinc/11/50/45/172115045.db2.gz KAMCNTSXNIVRJK-UHFFFAOYSA-N -1 0 237.255 1.437 50 0 BDAARM CCn1c2ccc(C(=O)[O-])cc2n(CC)c1=O ZINC000004986604 172132459 /nfs/dbraw/zinc/13/24/59/172132459.db2.gz AXWFSVGZVPJGKV-UHFFFAOYSA-N -1 0 234.255 1.541 50 0 BDAARM CCn1cc(C(=O)[O-])c(=O)c2cccc(F)c21 ZINC000016837748 172156942 /nfs/dbraw/zinc/15/69/42/172156942.db2.gz ROYHFHJBEQYVLC-UHFFFAOYSA-N -1 0 235.214 1.859 50 0 BDAARM CCn1nc(C(F)(F)F)cc1C(=O)[O-] ZINC000002537977 172242729 /nfs/dbraw/zinc/24/27/29/172242729.db2.gz IWLWUGGGZQMPIX-UHFFFAOYSA-N -1 0 208.139 1.620 50 0 BDAARM CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)[O-] ZINC000002386858 172324029 /nfs/dbraw/zinc/32/40/29/172324029.db2.gz KPDLITGXUYMJEC-UHFFFAOYSA-N -1 0 217.265 1.717 50 0 biogenic BDAARM CN(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000035281829 172374002 /nfs/dbraw/zinc/37/40/02/172374002.db2.gz QYYNPFIFGAZSQR-CYBMUJFWSA-N -1 0 235.283 1.507 50 0 BDAARM CN(C)C(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000020271585 172388725 /nfs/dbraw/zinc/38/87/25/172388725.db2.gz CYYCLPHSGJWBRG-VMPITWQZSA-N -1 0 219.240 1.486 50 0 BDAARM COC(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000039075529 173496061 /nfs/dbraw/zinc/49/60/61/173496061.db2.gz WNQUXRWZRJWTBX-QPJJXVBHSA-N -1 0 206.197 1.571 50 0 BDAARM COC(=O)[C@@]1(C)CC[C@@H](C(=O)[O-])C1(C)C ZINC000000160442 173760546 /nfs/dbraw/zinc/76/05/46/173760546.db2.gz CNHMFZIFLREWPF-WRWORJQWSA-N -1 0 214.261 1.687 50 0 BDAARM COCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000019837149 174328349 /nfs/dbraw/zinc/32/83/49/174328349.db2.gz MXWLUHBSOSTGBU-UHFFFAOYSA-N -1 0 229.663 1.422 50 0 BDAARM COc1cc(C)ccc1O[C@H](C)C(=O)[O-] ZINC000019405274 174970540 /nfs/dbraw/zinc/97/05/40/174970540.db2.gz OQNXISSMDJEBLB-MRVPVSSYSA-N -1 0 210.229 1.856 50 0 BDAARM COc1ccc(-n2nc(C)cc2C(=O)[O-])cc1 ZINC000000732359 175044713 /nfs/dbraw/zinc/04/47/13/175044713.db2.gz KGDRXQSJRQQXCK-UHFFFAOYSA-N -1 0 232.239 1.888 50 0 BDAARM COc1ccc(/C=C\C(=O)[O-])c(OC)c1 ZINC000004787602 175047987 /nfs/dbraw/zinc/04/79/87/175047987.db2.gz YIKHDPHTFYWYJV-XQRVVYSFSA-N -1 0 208.213 1.802 50 0 BDAARM COc1ccc(C(F)(F)F)nc1CC(=O)[O-] ZINC000263624985 175070136 /nfs/dbraw/zinc/07/01/36/175070136.db2.gz VTXLLKMHGZCYKB-UHFFFAOYSA-N -1 0 235.161 1.736 50 0 BDAARM COc1ccc(C=O)c(C(=O)[O-])c1OC ZINC000000294707 175086314 /nfs/dbraw/zinc/08/63/14/175086314.db2.gz HVXXOIGTXJOVON-UHFFFAOYSA-N -1 0 210.185 1.215 50 0 biogenic,in-vitro BDAARM COc1ccc(C[C@H](C)C(=O)[O-])cc1OC ZINC000011976593 175116345 /nfs/dbraw/zinc/11/63/45/175116345.db2.gz UDWOGKXUYHXPKV-QMMMGPOBSA-N -1 0 224.256 1.967 50 0 BDAARM COc1ccc([S@](=O)[O-])cc1Cl ZINC000012416497 175201445 /nfs/dbraw/zinc/20/14/45/175201445.db2.gz HVWWAWQBQGPBQM-UHFFFAOYSA-N -1 0 206.650 1.929 50 0 BDAARM COc1ccc2c(c1)C=C(C(=O)[O-])CO2 ZINC000000169407 175208010 /nfs/dbraw/zinc/20/80/10/175208010.db2.gz VOOCQPOSPBMQSK-UHFFFAOYSA-N -1 0 206.197 1.556 50 0 biogenic BDAARM COc1ccc2c(c1)OC[C@H]2CC(=O)[O-] ZINC000080166529 175213898 /nfs/dbraw/zinc/21/38/98/175213898.db2.gz UPXQPBXFERQVDB-SSDOTTSWSA-N -1 0 208.213 1.646 50 0 BDAARM COc1ccc2c(cc(C(=O)[O-])n2C)c1OC ZINC000003999806 175222786 /nfs/dbraw/zinc/22/27/86/175222786.db2.gz FDVUHHSIORKKMP-UHFFFAOYSA-N -1 0 235.239 1.894 50 0 biogenic BDAARM COc1cccc(-n2nn[n-]c2=S)c1 ZINC000006556114 175239956 /nfs/dbraw/zinc/23/99/56/175239956.db2.gz QMCJISGAMUQJFL-UHFFFAOYSA-N -1 0 208.246 1.333 50 0 BDAARM COc1cccc(NC(=O)N(C)CC(=O)[O-])c1 ZINC000036730082 175276417 /nfs/dbraw/zinc/27/64/17/175276417.db2.gz UFEVRPAIHVWVPK-UHFFFAOYSA-N -1 0 238.243 1.244 50 0 BDAARM COc1cccc(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000016776979 175280457 /nfs/dbraw/zinc/28/04/57/175280457.db2.gz MALARNDYYBVNSW-UHFFFAOYSA-N -1 0 232.243 1.226 50 0 BDAARM COc1cccc2c1ccn2CC(=O)[O-] ZINC000040162797 175306534 /nfs/dbraw/zinc/30/65/34/175306534.db2.gz QRLZFKJRNQDGFV-UHFFFAOYSA-N -1 0 205.213 1.735 50 0 biogenic BDAARM COc1ccccc1-c1nnc(/C=C/C(=O)[O-])o1 ZINC000071560375 175311635 /nfs/dbraw/zinc/31/16/35/175311635.db2.gz IHLSLNREBGZXFL-VOTSOKGWSA-N -1 0 246.222 1.843 50 0 BDAARM COc1ccccc1C[C@@H](OC)C(=O)[O-] ZINC000072323958 175332801 /nfs/dbraw/zinc/33/28/01/175332801.db2.gz MKLYBLYBETWWRI-SNVBAGLBSA-N -1 0 210.229 1.337 50 0 biogenic BDAARM COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)[O-] ZINC000000132594 175349978 /nfs/dbraw/zinc/34/99/78/175349978.db2.gz LMMNYYZCVYAOOF-KCJUWKMLSA-N -1 0 236.223 1.384 50 0 biogenic BDAARM COc1c[n-]n(C2CCCCC2)c(=O)c1=O ZINC000008579897 175388175 /nfs/dbraw/zinc/38/81/75/175388175.db2.gz CEWNFQFGMYZYOY-UHFFFAOYSA-N -1 0 224.260 1.463 50 0 BDAARM C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000039114 175834073 /nfs/dbraw/zinc/83/40/73/175834073.db2.gz FBDCJLXTUCMFLF-MRVPVSSYSA-N -1 0 246.266 1.300 50 0 in-vitro BDAARM C[C@@H](Oc1ccc(-n2cncn2)cc1)C(=O)[O-] ZINC000004290629 176004205 /nfs/dbraw/zinc/00/42/05/176004205.db2.gz JHDUKKLODZSVFM-MRVPVSSYSA-N -1 0 233.227 1.119 50 0 BDAARM C[C@@H](SCCc1ccccn1)C(=O)[O-] ZINC000000271009 176008484 /nfs/dbraw/zinc/00/84/84/176008484.db2.gz KGXMQKHBWDSVNQ-MRVPVSSYSA-N -1 0 211.286 1.830 50 0 BDAARM C[C@@H]1CC/C(=C\C(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000269078630 176056077 /nfs/dbraw/zinc/05/60/77/176056077.db2.gz BTOVVNCAUQBAGP-YIVZINCLSA-N -1 0 237.299 1.808 50 0 BDAARM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CC(=O)[O-])C1 ZINC000237410095 176125279 /nfs/dbraw/zinc/12/52/79/176125279.db2.gz HIPYYPQUEPAWOX-NXEZZACHSA-N -1 0 243.303 1.125 50 0 BDAARM C[C@H](C(=O)[O-])N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000237526433 176317329 /nfs/dbraw/zinc/31/73/29/176317329.db2.gz GLXBRWPDXDALMM-NQBHXWOUSA-N -1 0 249.310 1.922 50 0 BDAARM C[C@@H]1C[C@@H](C(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000004657271 176359819 /nfs/dbraw/zinc/35/98/19/176359819.db2.gz QRBDCVYZAXZQLN-XINAWCOVSA-N -1 0 231.202 1.592 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095969928 176384885 /nfs/dbraw/zinc/38/48/85/176384885.db2.gz JIDVANHRAASINY-PWSUYJOCSA-N -1 0 247.294 1.756 50 0 BDAARM C[C@@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019267303 176386858 /nfs/dbraw/zinc/38/68/58/176386858.db2.gz IJTOTRUJDDJHPO-KCJUWKMLSA-N -1 0 233.267 1.657 50 0 BDAARM C[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000011976615 176722575 /nfs/dbraw/zinc/72/25/75/176722575.db2.gz DBXAHUCZEXVUKS-SSDOTTSWSA-N -1 0 208.213 1.679 50 0 BDAARM C[C@H]1CC(OS(=O)(=O)[O-])C[C@H](C)C1 ZINC000002166940 177066050 /nfs/dbraw/zinc/06/60/50/177066050.db2.gz NLZXYVZEEQNJLB-RNFRBKRXSA-N -1 0 208.279 1.631 50 0 BDAARM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ccccc1 ZINC000096300639 177414470 /nfs/dbraw/zinc/41/44/70/177414470.db2.gz NHNOUTFQKIQWLT-ONGXEEELSA-N -1 0 205.257 1.986 50 0 BDAARM O=C([O-])[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000334163899 487859716 /nfs/dbraw/zinc/85/97/16/487859716.db2.gz WQIKSOQPKGGKRQ-NTSWFWBYSA-N -1 0 228.166 1.055 50 0 BDAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccnc2)C1 ZINC000111470369 487880929 /nfs/dbraw/zinc/88/09/29/487880929.db2.gz SFLPMYUEMFGYJO-ZJUUUORDSA-N -1 0 248.282 1.911 50 0 BDAARM CCO[C@H](CC)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136108875 325441472 /nfs/dbraw/zinc/44/14/72/325441472.db2.gz NUZHGKDVRDZOOK-NXEZZACHSA-N -1 0 243.303 1.125 50 0 BDAARM O=C([O-])Cc1nccn1Cc1ccccc1 ZINC000096068520 490360337 /nfs/dbraw/zinc/36/03/37/490360337.db2.gz PEXJLERUJWJFKU-UHFFFAOYSA-N -1 0 216.240 1.559 50 0 BDAARM CC(C)(C)OC(=O)C1(C(=O)[O-])CC=CC1 ZINC000115203229 518775372 /nfs/dbraw/zinc/77/53/72/518775372.db2.gz RZAVTKUGXSBXKP-UHFFFAOYSA-N -1 0 212.245 1.749 50 0 BDAARM C=COc1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000033154805 527394850 /nfs/dbraw/zinc/39/48/50/527394850.db2.gz AVWJDEMWEXAHQQ-FPLPWBNLSA-N -1 0 233.223 1.788 50 0 BDAARM CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)[O-] ZINC000011889815 529079046 /nfs/dbraw/zinc/07/90/46/529079046.db2.gz OXLOTCJAYCHDBD-ZETCQYMHSA-N -1 0 201.266 1.258 50 0 BDAARM CN(CCC(=O)[O-])c1nc2ccccc2c(=O)[nH]1 ZINC000263380446 536312672 /nfs/dbraw/zinc/31/26/72/536312672.db2.gz CIFFGDSAINSBIQ-UHFFFAOYSA-N -1 0 247.254 1.246 50 0 BDAARM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000080814 574410913 /nfs/dbraw/zinc/41/09/13/574410913.db2.gz DZTHIGRZJZPRDV-GFCCVEGCSA-N -1 0 246.266 1.300 50 0 endogenous,in-vitro BDAARM CCCc1onc(-c2cnn(C)c2)c1C(=O)[O-] ZINC000070426779 582594630 /nfs/dbraw/zinc/59/46/30/582594630.db2.gz KNDKQXUSOARAHC-UHFFFAOYSA-N -1 0 235.243 1.726 50 0 BDAARM O=C([O-])CCCNC(=S)NC1CCCCC1 ZINC000012343514 588938926 /nfs/dbraw/zinc/93/89/26/588938926.db2.gz XEQBEDCTXUFALE-UHFFFAOYSA-N -1 0 244.360 1.648 50 0 BDAARM Cn1nc(C(=O)[O-])cc1-c1ccncc1 ZINC000020441988 590113487 /nfs/dbraw/zinc/11/34/87/590113487.db2.gz XUYDNQQKGJWSCG-UHFFFAOYSA-N -1 0 203.201 1.180 50 0 BDAARM O=C([O-])c1cnc2cc(Br)nn2c1 ZINC000217391365 592106396 /nfs/dbraw/zinc/10/63/96/592106396.db2.gz GSDGBKOTHSRDBL-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM O=C([O-])C1(C(=O)N2CCC(F)(F)CC2)CC1 ZINC000223643866 592537797 /nfs/dbraw/zinc/53/77/97/592537797.db2.gz LYMCQMVIUXPZDG-UHFFFAOYSA-N -1 0 233.214 1.109 50 0 BDAARM O=C([O-])[C@H]1CCN1C(=O)/C=C/c1ccccc1 ZINC000097134473 644873491 /nfs/dbraw/zinc/87/34/91/644873491.db2.gz VTJKXALCBPBEEM-XUIVZRPNSA-N -1 0 231.251 1.385 50 0 BDAARM Cc1cc(Cl)cc(C(=O)NCCC(=O)[O-])c1 ZINC000088139434 178063728 /nfs/dbraw/zinc/06/37/28/178063728.db2.gz RVHOTFYGJUQAIY-UHFFFAOYSA-N -1 0 241.674 1.853 50 0 BDAARM Cc1ccc([C@@H](O)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000170598006 361775157 /nfs/dbraw/zinc/77/51/57/361775157.db2.gz UORJSGANYOWVEB-XVKPBYJWSA-N -1 0 239.227 1.657 50 0 BDAARM Cc1ccc(-c2nn(C)cc2C(=O)[O-])o1 ZINC000034961721 178340061 /nfs/dbraw/zinc/34/00/61/178340061.db2.gz YXFKJEJXEHTSRI-UHFFFAOYSA-N -1 0 206.201 1.687 50 0 BDAARM Cc1ccc(-n2cc(C(=O)[O-])nn2)cc1F ZINC000020216572 178346256 /nfs/dbraw/zinc/34/62/56/178346256.db2.gz LPPVXVYMMWNAPG-UHFFFAOYSA-N -1 0 221.191 1.413 50 0 BDAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1CCO ZINC000010157342 178348805 /nfs/dbraw/zinc/34/88/05/178348805.db2.gz PHGQKFYFKHLJFO-UHFFFAOYSA-N -1 0 232.283 1.730 50 0 BDAARM Cc1ccc(F)cc1N1C[C@H](C(=O)[O-])CC1=O ZINC000000112620 342674968 /nfs/dbraw/zinc/67/49/68/342674968.db2.gz WBWKJDPXSLQGKZ-MRVPVSSYSA-N -1 0 237.230 1.572 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2cccs2)C1 ZINC000000113137 342675050 /nfs/dbraw/zinc/67/50/50/342675050.db2.gz HMKNZMMFHYMMGE-MRVPVSSYSA-N -1 0 239.296 1.224 50 0 BDAARM O=C([O-])c1nccnc1C(=O)N1CCCCCC1 ZINC000000119324 342675329 /nfs/dbraw/zinc/67/53/29/342675329.db2.gz DPHNMMLDVQJJLH-UHFFFAOYSA-N -1 0 249.270 1.191 50 0 BDAARM COC(=O)C=C([O-])c1ccc(C(=O)OC)cc1 ZINC000000153977 342677475 /nfs/dbraw/zinc/67/74/75/342677475.db2.gz PAGMDUGVIOXELP-UHFFFAOYSA-N -1 0 236.223 1.219 50 0 BDAARM O=C([O-])c1cccc(I)c1 ZINC000000167226 342678773 /nfs/dbraw/zinc/67/87/73/342678773.db2.gz KVBWBCRPWVKFQT-UHFFFAOYSA-N -1 0 248.019 1.989 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1ccco1 ZINC000000168402 342678884 /nfs/dbraw/zinc/67/88/84/342678884.db2.gz CKLUNBZKIOXZED-GHMZBOCLSA-N -1 0 249.266 1.563 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000000182857 342679568 /nfs/dbraw/zinc/67/95/68/342679568.db2.gz BVUJBJCCSDLXPU-LLVKDONJSA-N -1 0 233.267 1.623 50 0 BDAARM C[C@H](C(=O)[O-])n1cnc2ccccc2c1=O ZINC000000253691 342681480 /nfs/dbraw/zinc/68/14/80/342681480.db2.gz AOIOGRLXASIYJK-SSDOTTSWSA-N -1 0 218.212 1.042 50 0 biogenic BDAARM O=C([O-])c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000332028 342683601 /nfs/dbraw/zinc/68/36/01/342683601.db2.gz TZDURDLECJWHJD-UHFFFAOYSA-N -1 0 233.145 1.886 50 0 in-vitro BDAARM O=C([O-])[C@@H]1CCC(=O)N1Cc1ccsc1 ZINC000000395917 342686298 /nfs/dbraw/zinc/68/62/98/342686298.db2.gz RBMSPRRZUJPNBS-QMMMGPOBSA-N -1 0 225.269 1.324 50 0 BDAARM Cn1c(=O)oc2cc(Cl)c(C(=O)[O-])cc21 ZINC000000448163 342687638 /nfs/dbraw/zinc/68/76/38/342687638.db2.gz VNOJJOPKNFQTQZ-UHFFFAOYSA-N -1 0 227.603 1.483 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000000040480 342671044 /nfs/dbraw/zinc/67/10/44/342671044.db2.gz JXNDLFWQCQNSRP-MRVPVSSYSA-N -1 0 211.261 1.252 50 0 BDAARM CC(C)CN1Cc2cccc(C(=O)[O-])c2C1=O ZINC000000801575 342692835 /nfs/dbraw/zinc/69/28/35/342692835.db2.gz KFXDPJMOALONTC-UHFFFAOYSA-N -1 0 233.267 1.997 50 0 BDAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000000810966 342693120 /nfs/dbraw/zinc/69/31/20/342693120.db2.gz QJHNOWCMLRIBJY-UHFFFAOYSA-N -1 0 233.179 1.769 50 0 BDAARM O=C([O-])[C@@H](c1ccccc1)N1CCOCC1 ZINC000000810222 342693143 /nfs/dbraw/zinc/69/31/43/342693143.db2.gz OZJNQHRPTQSJDF-LLVKDONJSA-N -1 0 221.256 1.145 50 0 BDAARM CC(C)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000864319 342693961 /nfs/dbraw/zinc/69/39/61/342693961.db2.gz NJDLTLNVUIGTNW-ZJUUUORDSA-N -1 0 227.304 1.650 50 0 BDAARM CN(C)c1ncnc2cc(C(=O)[O-])ccc21 ZINC000001293172 342698886 /nfs/dbraw/zinc/69/88/86/342698886.db2.gz RADJKASGVMAYPV-UHFFFAOYSA-N -1 0 217.228 1.394 50 0 BDAARM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001579886 342704025 /nfs/dbraw/zinc/70/40/25/342704025.db2.gz INWOAUUPYIXDHN-ZETCQYMHSA-N -1 0 217.265 1.764 50 0 in-vitro BDAARM O=C([O-])[C@@]1(O)CC(=O)CC[C@H]1c1ccccc1 ZINC000001630452 342706472 /nfs/dbraw/zinc/70/64/72/342706472.db2.gz GJJJBQYNYSREEH-WCQYABFASA-N -1 0 234.251 1.339 50 0 BDAARM CSCC[C@H](NC(=O)c1ccco1)C(=O)[O-] ZINC000001782156 342712494 /nfs/dbraw/zinc/71/24/94/342712494.db2.gz UXLDCMMGQUCRHU-ZETCQYMHSA-N -1 0 243.284 1.216 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)[C@H]1Cc1ccccc1 ZINC000004110067 342742491 /nfs/dbraw/zinc/74/24/91/342742491.db2.gz XUZNWUPKDRCVGX-QWRGUYRKSA-N -1 0 218.252 1.909 50 0 BDAARM CC(=O)O[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000004109925 342742506 /nfs/dbraw/zinc/74/25/06/342742506.db2.gz CQSJHKQABRHBQV-VIFPVBQESA-N -1 0 230.166 1.654 50 0 BDAARM CN1c2ccccc2[C@@H](CC(=O)[O-])C1=O ZINC000004344256 342746847 /nfs/dbraw/zinc/74/68/47/342746847.db2.gz BAUWIAWMJHZMIV-MRVPVSSYSA-N -1 0 205.213 1.221 50 0 BDAARM O=C([O-])c1ccc(-c2cncnc2)cc1 ZINC000002563825 342724310 /nfs/dbraw/zinc/72/43/10/342724310.db2.gz CCBKADQVSXLSDN-UHFFFAOYSA-N -1 0 200.197 1.842 50 0 BDAARM O=S(=O)([O-])CCCOc1ccccc1 ZINC000002570189 342724660 /nfs/dbraw/zinc/72/46/60/342724660.db2.gz MPJOOMGQZKTRKS-UHFFFAOYSA-N -1 0 216.258 1.343 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccccc1F ZINC000002713468 342726800 /nfs/dbraw/zinc/72/68/00/342726800.db2.gz XAARCAAYASZMAH-SNVBAGLBSA-N -1 0 237.230 1.515 50 0 BDAARM CCN(C(=O)CCC(=O)[O-])c1ccccc1 ZINC000003196822 342731308 /nfs/dbraw/zinc/73/13/08/342731308.db2.gz GEOJMCOUCPCJRT-UHFFFAOYSA-N -1 0 221.256 1.904 50 0 BDAARM O=C([O-])c1cccc(C=C2NC(=S)NC2=O)c1 ZINC000034911454 342732671 /nfs/dbraw/zinc/73/26/71/342732671.db2.gz JFMLUIXJILKSSI-YVMONPNESA-N -1 0 248.263 1.141 50 0 BDAARM CCCC[C@H](CC)CNC(=O)COCC(=O)[O-] ZINC000004784760 342752070 /nfs/dbraw/zinc/75/20/70/342752070.db2.gz MFSJFUQXARXQJR-JTQLQIEISA-N -1 0 245.319 1.420 50 0 BDAARM O=C([O-])C(Cl)(Cl)Br ZINC000005112643 342758286 /nfs/dbraw/zinc/75/82/86/342758286.db2.gz XSWVFEQKZFUULO-UHFFFAOYSA-N -1 0 207.838 1.597 50 0 BDAARM O=c1cc([O-])cnn1-c1cccc(Cl)c1 ZINC000005763079 342769765 /nfs/dbraw/zinc/76/97/65/342769765.db2.gz HVIYLHSBBUWPFH-UHFFFAOYSA-N -1 0 222.631 1.592 50 0 BDAARM Cc1sc2[n-]c(=S)n(N)c(=O)c2c1C ZINC000006493705 342778483 /nfs/dbraw/zinc/77/84/83/342778483.db2.gz TXOPNWKBWSYCMV-UHFFFAOYSA-N -1 0 227.314 1.451 50 0 BDAARM O=C([O-])c1nn(-c2ccc(F)cc2)ccc1=O ZINC000006645496 342780428 /nfs/dbraw/zinc/78/04/28/342780428.db2.gz CKMATXNXEMOXBH-UHFFFAOYSA-N -1 0 234.186 1.070 50 0 BDAARM O=C([O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000006863316 342785071 /nfs/dbraw/zinc/78/50/71/342785071.db2.gz GKKWONDBUXUCHF-SECBINFHSA-N -1 0 223.203 1.263 50 0 BDAARM CC(C)(C)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000042144136 361960294 /nfs/dbraw/zinc/96/02/94/361960294.db2.gz OSKWHMAOFIIQIJ-MRVPVSSYSA-N -1 0 213.277 1.498 50 0 BDAARM COC(=O)c1ccc(C[S@@](=O)[O-])cc1 ZINC000059704420 539013952 /nfs/dbraw/zinc/01/39/52/539013952.db2.gz OAASPMZOWHLFSG-UHFFFAOYSA-N -1 0 214.242 1.195 50 0 BDAARM O=C([O-])c1cc(-n2cccn2)ccc1F ZINC000012360681 342850241 /nfs/dbraw/zinc/85/02/41/342850241.db2.gz KOTYONJYKPVHDE-UHFFFAOYSA-N -1 0 206.176 1.710 50 0 BDAARM O=C([O-])c1sccc1C1OCCO1 ZINC000012370606 342850471 /nfs/dbraw/zinc/85/04/71/342850471.db2.gz ZODQJPSGAHBVHU-UHFFFAOYSA-N -1 0 200.215 1.492 50 0 BDAARM CCc1cc(C(=O)[O-])c2c(C)noc2n1 ZINC000012399133 342851342 /nfs/dbraw/zinc/85/13/42/342851342.db2.gz SYMJIFPZZGOKLH-UHFFFAOYSA-N -1 0 206.201 1.792 50 0 BDAARM Cn1c2ccccc2cc(C(=O)[O-])c1=O ZINC000012428117 342852012 /nfs/dbraw/zinc/85/20/12/342852012.db2.gz DFNCYDFCUVAFDG-UHFFFAOYSA-N -1 0 203.197 1.237 50 0 BDAARM C[C@H](CC(=O)[O-])NC(=O)c1ccccc1 ZINC000012504822 342852802 /nfs/dbraw/zinc/85/28/02/342852802.db2.gz UKRUGGNUDYQEGF-MRVPVSSYSA-N -1 0 207.229 1.280 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccs1 ZINC000012505632 342852928 /nfs/dbraw/zinc/85/29/28/342852928.db2.gz YMRCTWCRPNSLPD-MRVPVSSYSA-N -1 0 239.296 1.827 50 0 BDAARM O=C([O-])c1csc2nc(=O)sc-2c1 ZINC000032597767 342854490 /nfs/dbraw/zinc/85/44/90/342854490.db2.gz QDYOEWYYCLSYMF-UHFFFAOYSA-N -1 0 213.239 1.368 50 0 BDAARM COC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004350158 342854789 /nfs/dbraw/zinc/85/47/89/342854789.db2.gz VWOSZDXAKCVIJH-DTWKUNHWSA-N -1 0 212.245 1.607 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000011888104 342844145 /nfs/dbraw/zinc/84/41/45/342844145.db2.gz UPIMQTKFPSTPKC-UHFFFAOYSA-N -1 0 235.218 1.667 50 0 BDAARM Cc1ccc(N2CC[C@H](C(=O)[O-])C2=O)cc1C ZINC000011890869 342844250 /nfs/dbraw/zinc/84/42/50/342844250.db2.gz XDTJOZZZMUUAAV-NSHDSACASA-N -1 0 233.267 1.741 50 0 BDAARM Cc1ccc(NC(=O)c2n[n-][nH]c2=O)cc1 ZINC000004475924 342873172 /nfs/dbraw/zinc/87/31/72/342873172.db2.gz CCCUPWFMUGNYDL-UHFFFAOYSA-N -1 0 218.216 1.071 50 0 BDAARM O=C([O-])c1ccnc(C(F)(F)F)c1F ZINC000015442253 342896389 /nfs/dbraw/zinc/89/63/89/342896389.db2.gz GOYPFNAZTPCXGS-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM O=C([O-])[C@@H]1CC[C@](O)(c2ccccc2)C1 ZINC000217900864 398324361 /nfs/dbraw/zinc/32/43/61/398324361.db2.gz XYSFWCWXJQTOPP-BXKDBHETSA-N -1 0 206.241 1.759 50 0 BDAARM CC[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000050291095 398334169 /nfs/dbraw/zinc/33/41/69/398334169.db2.gz CQTLBUUITWOXSW-VIFPVBQESA-N -1 0 225.288 1.500 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000134068916 398341730 /nfs/dbraw/zinc/34/17/30/398341730.db2.gz ZKHHNWPRCVVSIZ-YUSALJHKSA-N -1 0 247.294 1.455 50 0 BDAARM O=C([O-])c1ccc(OC[C@H]2CCCO2)nc1 ZINC000019399954 342947172 /nfs/dbraw/zinc/94/71/72/342947172.db2.gz KPSZPJTYJAGKSF-SECBINFHSA-N -1 0 223.228 1.338 50 0 BDAARM CN(C)c1ccccc1-c1cncc(C(=O)[O-])n1 ZINC000075917380 344019576 /nfs/dbraw/zinc/01/95/76/344019576.db2.gz CDJMBRWYVLOGAJ-UHFFFAOYSA-N -1 0 243.266 1.908 50 0 BDAARM O=C([O-])c1ccnc(NCc2ccncc2)c1 ZINC000020016085 342966280 /nfs/dbraw/zinc/96/62/80/342966280.db2.gz IXVCMFGCQYYXSN-UHFFFAOYSA-N -1 0 229.239 1.787 50 0 BDAARM O=C([O-])c1nc(C2CC2)n2ccccc12 ZINC000020222657 342978157 /nfs/dbraw/zinc/97/81/57/342978157.db2.gz CMIRTSLVLKSHJO-UHFFFAOYSA-N -1 0 202.213 1.910 50 0 BDAARM COc1c(N)cc(C(=O)[O-])cc1Br ZINC000020227869 342978162 /nfs/dbraw/zinc/97/81/62/342978162.db2.gz RSTUHZJDZANQID-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM COCc1c(C(=O)[O-])nnn1-c1cccc(C)c1 ZINC000020272176 342979414 /nfs/dbraw/zinc/97/94/14/342979414.db2.gz HHZARCRCTPMCHA-UHFFFAOYSA-N -1 0 247.254 1.420 50 0 BDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccccc1O ZINC000022143912 343042426 /nfs/dbraw/zinc/04/24/26/343042426.db2.gz RQLIRNHFEYPHIB-SECBINFHSA-N -1 0 235.239 1.081 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC000021952203 343029837 /nfs/dbraw/zinc/02/98/37/343029837.db2.gz CMAFVRLPPUKMJY-JTQLQIEISA-N -1 0 234.255 1.161 50 0 BDAARM O=C([O-])[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000021952452 343029931 /nfs/dbraw/zinc/02/99/31/343029931.db2.gz RONDSKCEXBOFNY-LURJTMIESA-N -1 0 241.193 1.402 50 0 BDAARM Cn1cc(-c2ccc(C(=O)[O-])cc2)cn1 ZINC000020441208 343073675 /nfs/dbraw/zinc/07/36/75/343073675.db2.gz JNLQMZREPWAVIE-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM Cn1cc(C(=O)[O-])c(-c2nccs2)n1 ZINC000083142623 343075174 /nfs/dbraw/zinc/07/51/74/343075174.db2.gz HPYDUVDIEJNCMF-UHFFFAOYSA-N -1 0 209.230 1.242 50 0 BDAARM O=C([O-])[C@@H](Cc1ccccc1)Nc1ncccn1 ZINC000031775771 343224112 /nfs/dbraw/zinc/22/41/12/343224112.db2.gz IVJZYRZYVLZTQK-LLVKDONJSA-N -1 0 243.266 1.584 50 0 biogenic BDAARM CC(C)c1cc(C(=O)[O-])nc(Cl)n1 ZINC000032009969 343228023 /nfs/dbraw/zinc/22/80/23/343228023.db2.gz OSIWTOMGBYRJLJ-UHFFFAOYSA-N -1 0 200.625 1.952 50 0 BDAARM C[C@H](C(=O)[O-])N1c2ccccc2CCCC1=O ZINC000032919054 343244589 /nfs/dbraw/zinc/24/45/89/343244589.db2.gz NXTIVKFWBOWRDP-SECBINFHSA-N -1 0 233.267 1.829 50 0 BDAARM [O-]c1c[n+]([O-])c2ccccc2c1Br ZINC000015686568 343267992 /nfs/dbraw/zinc/26/79/92/343267992.db2.gz XKMHDLGBYLBFSV-UHFFFAOYSA-N -1 0 240.056 1.941 50 0 BDAARM CN(C(=O)CCCC(=O)[O-])c1nccs1 ZINC000002837371 343271113 /nfs/dbraw/zinc/27/11/13/343271113.db2.gz XPBNDDWELMMOIL-UHFFFAOYSA-N -1 0 228.273 1.361 50 0 BDAARM Cc1nccn1-c1cccc(C(=O)[O-])c1 ZINC000034792511 343278466 /nfs/dbraw/zinc/27/84/66/343278466.db2.gz ZGRKUYBDLZMGQH-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM CN(CCCC(=O)[O-])C(=O)OC(C)(C)C ZINC000036379545 343317093 /nfs/dbraw/zinc/31/70/93/343317093.db2.gz PXAKQDWAISFHCM-UHFFFAOYSA-N -1 0 217.265 1.718 50 0 BDAARM O=C([O-])c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000038478116 343375589 /nfs/dbraw/zinc/37/55/89/343375589.db2.gz UQFLNDWNBJVOJJ-UHFFFAOYSA-N -1 0 233.198 1.879 50 0 BDAARM O=C([O-])c1nnn(-c2cccc(F)c2)c1C1CC1 ZINC000037312406 343343183 /nfs/dbraw/zinc/34/31/83/343343183.db2.gz QHVFONDASFXSMA-UHFFFAOYSA-N -1 0 247.229 1.982 50 0 BDAARM C[C@@H](CC(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000037453859 343345534 /nfs/dbraw/zinc/34/55/34/343345534.db2.gz XGMBQBFMNKULBV-ZETCQYMHSA-N -1 0 233.223 1.146 50 0 BDAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CC1(F)F ZINC000039326159 343388727 /nfs/dbraw/zinc/38/87/27/343388727.db2.gz FLCKECWKJDRFQF-MRVPVSSYSA-N -1 0 237.202 1.374 50 0 BDAARM CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000039959549 343394230 /nfs/dbraw/zinc/39/42/30/343394230.db2.gz QZMOGBLDXPANBR-NSHDSACASA-N -1 0 207.229 1.123 50 0 biogenic BDAARM O=C([O-])c1cc(F)nc(N2CCCC2)c1 ZINC000039961265 343394343 /nfs/dbraw/zinc/39/43/43/343394343.db2.gz VWAYZTJRTOUOEB-UHFFFAOYSA-N -1 0 210.208 1.519 50 0 BDAARM Cc1nc(Cl)c(Cl)n1CC(=O)[O-] ZINC000040162834 343397229 /nfs/dbraw/zinc/39/72/29/343397229.db2.gz XJIHUYMHASMNBV-UHFFFAOYSA-N -1 0 209.032 1.583 50 0 BDAARM O=C([O-])c1cccnc1OC1CCOCC1 ZINC000040447902 343403578 /nfs/dbraw/zinc/40/35/78/343403578.db2.gz SUARORFCSFZZRU-UHFFFAOYSA-N -1 0 223.228 1.338 50 0 BDAARM O=C([O-])c1nc(C(F)(F)F)ccc1O ZINC000047218646 343559163 /nfs/dbraw/zinc/55/91/63/343559163.db2.gz YJKFRMLHOHASFY-UHFFFAOYSA-N -1 0 207.107 1.504 50 0 BDAARM CC(C)Cc1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000004732935 344144845 /nfs/dbraw/zinc/14/48/45/344144845.db2.gz VVSULRSNMUYPCJ-UHFFFAOYSA-N -1 0 232.287 1.105 50 0 BDAARM Cc1ccc(C[C@H]2SC(=O)[N-]C2=O)o1 ZINC000001395337 178653479 /nfs/dbraw/zinc/65/34/79/178653479.db2.gz PMNBXHUCIBNFNJ-SSDOTTSWSA-N -1 0 211.242 1.482 50 0 BDAARM Cn1c2ccccc2c2oc(C(=O)[O-])cc(=O)c21 ZINC000028255480 344356196 /nfs/dbraw/zinc/35/61/96/344356196.db2.gz RNLKZNUNWYKYRF-UHFFFAOYSA-N -1 0 243.218 1.983 50 0 BDAARM O=S(=O)([N-]c1cccnn1)c1ccccc1 ZINC000039121753 344929191 /nfs/dbraw/zinc/92/91/91/344929191.db2.gz FQEBAJBGKKUVDW-UHFFFAOYSA-N -1 0 235.268 1.277 50 0 BDAARM COC(=O)c1ccc(C)c([S@](=O)[O-])c1 ZINC000306731309 537916827 /nfs/dbraw/zinc/91/68/27/537916827.db2.gz GDGYRURNJDODBJ-UHFFFAOYSA-N -1 0 214.242 1.362 50 0 BDAARM CC(C)(CC(=O)[O-])CC(=O)Nc1nccs1 ZINC000001621338 346079007 /nfs/dbraw/zinc/07/90/07/346079007.db2.gz NCGGHZVDGJKZGW-UHFFFAOYSA-N -1 0 242.300 1.973 50 0 BDAARM Cc1cccc(-n2ncc(C(=O)[O-])n2)c1 ZINC000020246488 179001483 /nfs/dbraw/zinc/00/14/83/179001483.db2.gz CZBUFPQZUPLZHK-UHFFFAOYSA-N -1 0 203.201 1.274 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H](/C=C/c2ccccc2)N1 ZINC000005515248 346245952 /nfs/dbraw/zinc/24/59/52/346245952.db2.gz AVCZCIMDECJOPA-JYLGIWJRSA-N -1 0 235.308 1.816 50 0 BDAARM Cc1cccc(C(=O)NC2(C(=O)[O-])CCC2)c1 ZINC000096476283 179014423 /nfs/dbraw/zinc/01/44/23/179014423.db2.gz JACPEZMHJSYZFG-UHFFFAOYSA-N -1 0 233.267 1.732 50 0 BDAARM Cc1cccc(C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000037412170 179020870 /nfs/dbraw/zinc/02/08/70/179020870.db2.gz BRISBAGGLIBULI-VIFPVBQESA-N -1 0 221.256 1.588 50 0 BDAARM Cc1cccc(NCc2n[nH]c(=O)[n-]2)c1C ZINC000095460354 179151151 /nfs/dbraw/zinc/15/11/51/179151151.db2.gz RSEGHHRBYPXONP-UHFFFAOYSA-N -1 0 218.260 1.327 50 0 BDAARM Cc1cccc2c1CCN2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000240244213 179213607 /nfs/dbraw/zinc/21/36/07/179213607.db2.gz DKZFZUACFGPOCF-GHMZBOCLSA-N -1 0 245.278 1.605 50 0 BDAARM Cc1ccccc1-n1c(=O)cc([O-])[nH]c1=S ZINC000100304744 179240934 /nfs/dbraw/zinc/24/09/34/179240934.db2.gz RNAKMMRUYJMNNT-UHFFFAOYSA-N -1 0 234.280 1.535 50 0 BDAARM Cc1ccccc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000003278196 179251947 /nfs/dbraw/zinc/25/19/47/179251947.db2.gz DGRVECXJCRCMGT-NSHDSACASA-N -1 0 235.283 1.834 50 0 BDAARM Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097009375 179252829 /nfs/dbraw/zinc/25/28/29/179252829.db2.gz ACDCIGNJWLEXTH-MNOVXSKESA-N -1 0 247.294 1.978 50 0 BDAARM Cc1cccc(S(=O)(=O)[N-]c2cnccn2)c1 ZINC000195573742 347647837 /nfs/dbraw/zinc/64/78/37/347647837.db2.gz IBLYWIDBGQZPFB-UHFFFAOYSA-N -1 0 249.295 1.586 50 0 BDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000195542091 179331675 /nfs/dbraw/zinc/33/16/75/179331675.db2.gz IZGSDCFQMCYZJP-ZMLRMANQSA-N -1 0 247.294 1.688 50 0 BDAARM CC(C)(C)OC(=O)N1C=C(C(=O)[O-])CCC1 ZINC000084302769 348806371 /nfs/dbraw/zinc/80/63/71/348806371.db2.gz YVOYEEBSBBDJPI-UHFFFAOYSA-N -1 0 227.260 1.986 50 0 BDAARM Cc1ccc([C@H](N)c2ocnc2C(=O)[O-])cc1 ZINC000616573384 349069714 /nfs/dbraw/zinc/06/97/14/349069714.db2.gz MOWZGTMPCRSTEU-VIFPVBQESA-N -1 0 232.239 1.729 50 0 BDAARM O=C([O-])c1c(O)cnc2ccc(F)cc21 ZINC000044185133 190996985 /nfs/dbraw/zinc/99/69/85/190996985.db2.gz UPTVMNMTVAWXBH-UHFFFAOYSA-N -1 0 207.160 1.778 50 0 BDAARM Cc1nc2c(nc(C)nc2N[C@H](C)C(=O)[O-])o1 ZINC000000205993 180023469 /nfs/dbraw/zinc/02/34/69/180023469.db2.gz XTRGZFPYBZDSAM-SCSAIBSYSA-N -1 0 236.231 1.120 50 0 biogenic BDAARM Cc1nc(SCC(=O)[O-])sc1C ZINC000004294284 180031620 /nfs/dbraw/zinc/03/16/20/180031620.db2.gz QHENGRZFJXJDML-UHFFFAOYSA-N -1 0 203.288 1.937 50 0 BDAARM Cc1nc(SCC(=O)[O-])nc2c1CCCC2 ZINC000008548732 180030375 /nfs/dbraw/zinc/03/03/75/180030375.db2.gz DAJWNNQCAVJWQP-UHFFFAOYSA-N -1 0 238.312 1.841 50 0 BDAARM CCC[C@@H](C)C(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256333 538057011 /nfs/dbraw/zinc/05/70/11/538057011.db2.gz FHFJTKVVUWSDEX-ZCFIWIBFSA-N -1 0 226.232 1.748 50 0 BDAARM Cc1nn(-c2ccccn2)c(C)c1CC(=O)[O-] ZINC000021955680 180330427 /nfs/dbraw/zinc/33/04/27/180330427.db2.gz ATNQFACEBKQXSB-UHFFFAOYSA-N -1 0 231.255 1.511 50 0 BDAARM C[C@@H](C(=O)NC1(C(=O)[O-])CC1)c1ccc(O)cc1 ZINC000426589176 191099584 /nfs/dbraw/zinc/09/95/84/191099584.db2.gz XKDUULVWHQEDHO-MRVPVSSYSA-N -1 0 249.266 1.229 50 0 BDAARM Cc1nn([C@H](C)C(=O)[O-])c(=O)c2ccccc12 ZINC000000295519 180393288 /nfs/dbraw/zinc/39/32/88/180393288.db2.gz WQKSXQSNUARHNX-MRVPVSSYSA-N -1 0 232.239 1.351 50 0 BDAARM CCCCc1c(C)nc2[n-]c(C)nn2c1=O ZINC000100129729 191117116 /nfs/dbraw/zinc/11/71/16/191117116.db2.gz RMYPGNLQLNXBCK-UHFFFAOYSA-N -1 0 220.276 1.377 50 0 BDAARM CC(=O)N/C(=C\c1c[nH]c2ccccc12)C(=O)[O-] ZINC000004579047 191119313 /nfs/dbraw/zinc/11/93/13/191119313.db2.gz NQUBINHDFKVKMK-SDQBBNPISA-N -1 0 244.250 1.730 50 0 BDAARM CC(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000004542290 191119729 /nfs/dbraw/zinc/11/97/29/191119729.db2.gz VDASTFKYVVCCAL-UHFFFAOYSA-N -1 0 227.647 1.778 50 0 BDAARM Cc1occc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062912716 180536847 /nfs/dbraw/zinc/53/68/47/180536847.db2.gz XIQLSCLXPYAECO-LBPRGKRZSA-N -1 0 237.255 1.525 50 0 BDAARM O=C([O-])[C@@H](O)c1ccccc1C(F)(F)F ZINC000006095421 363032437 /nfs/dbraw/zinc/03/24/37/363032437.db2.gz QNVLFHMMPUBIIN-ZETCQYMHSA-N -1 0 220.146 1.823 50 0 BDAARM Cn1cc(N)c(Oc2ccc(C(=O)[O-])cc2)n1 ZINC000095836792 180655006 /nfs/dbraw/zinc/65/50/06/180655006.db2.gz QKEGCEZOPSJTHL-UHFFFAOYSA-N -1 0 233.227 1.493 50 0 BDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1nccs1 ZINC000079124162 187793030 /nfs/dbraw/zinc/79/30/30/187793030.db2.gz LYWNCSZRGOAWHN-PHDIDXHHSA-N -1 0 240.284 1.438 50 0 BDAARM CCOCCOc1ccc([S@](=O)[O-])cc1 ZINC000146690802 538108745 /nfs/dbraw/zinc/10/87/45/538108745.db2.gz JADSYPSTDCEYNX-UHFFFAOYSA-N -1 0 230.285 1.683 50 0 BDAARM O=S(=O)([O-])c1cc(Cl)cc(Cl)c1O ZINC000001555814 188454432 /nfs/dbraw/zinc/45/44/32/188454432.db2.gz LWKJNIMGNUTZOO-UHFFFAOYSA-N -1 0 243.067 1.946 50 0 in-vitro BDAARM CC(C)(C[S@@](=O)c1ccc(O)cc1)C(=O)[O-] ZINC000012336847 188460047 /nfs/dbraw/zinc/46/00/47/188460047.db2.gz LMCJCLABELTAGC-INIZCTEOSA-N -1 0 242.296 1.611 50 0 BDAARM CC(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000000366930 188453035 /nfs/dbraw/zinc/45/30/35/188453035.db2.gz CNGYZSNFNVKILU-UHFFFAOYSA-N -1 0 235.239 1.693 50 0 BDAARM CC(C)[C@H](C)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000069685081 188466502 /nfs/dbraw/zinc/46/65/02/188466502.db2.gz ROQUGSXSYRZEQP-BDAKNGLRSA-N -1 0 215.293 1.458 50 0 BDAARM O=C([O-])c1nc(Br)cs1 ZINC000038540357 188472399 /nfs/dbraw/zinc/47/23/99/188472399.db2.gz AYUAEJPYEJEHJN-UHFFFAOYSA-N -1 0 208.036 1.604 50 0 BDAARM CC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)[O-] ZINC000242592342 188548976 /nfs/dbraw/zinc/54/89/76/188548976.db2.gz OQGPGARFOAFOPW-RKDXNWHRSA-N -1 0 208.261 1.727 50 0 BDAARM COC(=O)C[C@@H](CC(=O)[O-])n1cccc1 ZINC000003091235 363350337 /nfs/dbraw/zinc/35/03/37/363350337.db2.gz YLZOZOZMEPINAH-MRVPVSSYSA-N -1 0 211.217 1.067 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000019506059 356484447 /nfs/dbraw/zinc/48/44/47/356484447.db2.gz MUWBJXZEXGIYJD-WDEREUQCSA-N -1 0 237.299 1.808 50 0 BDAARM CC(C)(C)OC(=O)N1CCN(C(=O)[O-])CC1 ZINC000002583127 356635530 /nfs/dbraw/zinc/63/55/30/356635530.db2.gz PNIHOTDSIJXUMR-UHFFFAOYSA-N -1 0 230.264 1.217 50 0 BDAARM CCCc1onc(-c2ncc[nH]2)c1C(=O)[O-] ZINC000675057595 538480031 /nfs/dbraw/zinc/48/00/31/538480031.db2.gz KEUFQKLVHSISFB-UHFFFAOYSA-N -1 0 221.216 1.715 50 0 BDAARM Cc1onc(-c2nccs2)c1C(=O)[O-] ZINC000675058031 538480573 /nfs/dbraw/zinc/48/05/73/538480573.db2.gz VLBURCBHVPGLHP-UHFFFAOYSA-N -1 0 210.214 1.805 50 0 BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000034961938 356703138 /nfs/dbraw/zinc/70/31/38/356703138.db2.gz BFTUMUGHPYXIAV-UHFFFAOYSA-N -1 0 239.181 1.552 50 0 BDAARM CCc1onc(-c2cn(C)nc2C)c1C(=O)[O-] ZINC000128910738 538570412 /nfs/dbraw/zinc/57/04/12/538570412.db2.gz NIISNYYSKJYEBN-UHFFFAOYSA-N -1 0 235.243 1.644 50 0 BDAARM CC(=Cc1nc2ccccc2c(=O)[nH]1)NC(=O)[O-] ZINC000075260898 356924600 /nfs/dbraw/zinc/92/46/00/356924600.db2.gz SZNIMZKBMHLCHW-VOTSOKGWSA-N -1 0 245.238 1.552 50 0 BDAARM CCC[C@@]1(CCC(=O)[O-])CCOC1=O ZINC000000410022 357155307 /nfs/dbraw/zinc/15/53/07/357155307.db2.gz SHNSIJFGCQNRRM-SNVBAGLBSA-N -1 0 200.234 1.585 50 0 BDAARM O=C([O-])CCc1cn2cccc(O)c2n1 ZINC000217963717 357266452 /nfs/dbraw/zinc/26/64/52/357266452.db2.gz MMGFGHHRORYYFP-UHFFFAOYSA-N -1 0 206.201 1.057 50 0 BDAARM O=C([O-])C(F)(F)c1ccc2c(c1)OCCO2 ZINC000052232669 358152933 /nfs/dbraw/zinc/15/29/33/358152933.db2.gz MQNFHTOGTMBNEZ-UHFFFAOYSA-N -1 0 230.166 1.634 50 0 BDAARM [O-]c1[nH]ncc2nnc(-c3ccccc3)c1-2 ZINC000006448831 358659915 /nfs/dbraw/zinc/65/99/15/358659915.db2.gz SGUBBVUAQPGDRS-UHFFFAOYSA-N -1 0 212.212 1.726 50 0 BDAARM CC(=O)Oc1ccc(C(=O)[O-])c(OC(C)=O)c1 ZINC000000389338 359621468 /nfs/dbraw/zinc/62/14/68/359621468.db2.gz GZVIEFAFWBQDLQ-UHFFFAOYSA-N -1 0 238.195 1.235 50 0 biogenic BDAARM Cc1n[n-]c(=NC[C@@H]2CCO[C@@H](C(C)C)C2)o1 ZINC000578834892 366655605 /nfs/dbraw/zinc/65/56/05/366655605.db2.gz HWSZOQUTFWMFJV-GHMZBOCLSA-N -1 0 239.319 1.663 50 0 BDAARM CC(C)[C@H]1CCc2[nH]c(=O)c(C(=O)[O-])cc2C1 ZINC000049827308 219823541 /nfs/dbraw/zinc/82/35/41/219823541.db2.gz FFVHBWCZMRJKOR-QMMMGPOBSA-N -1 0 235.283 1.834 50 0 BDAARM Cn1cncc1-c1noc(C(F)F)c1C(=O)[O-] ZINC000675057399 541462912 /nfs/dbraw/zinc/46/29/12/541462912.db2.gz GCGHMGYRYFISNP-UHFFFAOYSA-N -1 0 243.169 1.711 50 0 BDAARM NC(=O)c1ccc2ncc(C(=O)[O-])cc2c1 ZINC000206683861 368360897 /nfs/dbraw/zinc/36/08/97/368360897.db2.gz CLZDNVPHNCYLNY-UHFFFAOYSA-N -1 0 216.196 1.032 50 0 BDAARM Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000002513558 181702183 /nfs/dbraw/zinc/70/21/83/181702183.db2.gz AMVHEVZYTGHASE-UHFFFAOYSA-N -1 0 205.135 1.986 50 0 BDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccon1 ZINC000028225491 371581215 /nfs/dbraw/zinc/58/12/15/371581215.db2.gz JLJDDHYHKCOKFS-HTQZYQBOSA-N -1 0 238.243 1.504 50 0 BDAARM CCCCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000003319027 168826735 /nfs/dbraw/zinc/82/67/35/168826735.db2.gz JPWIWDRTZPWZIL-UHFFFAOYSA-N -1 0 247.250 1.781 50 0 BDAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1C ZINC000009059532 373187984 /nfs/dbraw/zinc/18/79/84/373187984.db2.gz HBDILVUMAQZKJZ-UHFFFAOYSA-N -1 0 228.255 1.659 50 0 BDAARM O=C([O-])[C@H](NC(=O)NC1CC1)c1ccccc1 ZINC000040528915 182095924 /nfs/dbraw/zinc/09/59/24/182095924.db2.gz WRVJRYBZXIWNKR-SNVBAGLBSA-N -1 0 234.255 1.274 50 0 BDAARM CCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006042652 168856852 /nfs/dbraw/zinc/85/68/52/168856852.db2.gz XLQXGWOPKIGCQT-ZJUUUORDSA-N -1 0 225.288 1.570 50 0 BDAARM CCCCC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000042295026 374260591 /nfs/dbraw/zinc/26/05/91/374260591.db2.gz CQYBEDYWUAEYIB-SECBINFHSA-N -1 0 213.277 1.642 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000095961788 182309031 /nfs/dbraw/zinc/30/90/31/182309031.db2.gz QOSLBJKYOWQZLE-PSASIEDQSA-N -1 0 234.255 1.065 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccsc2)C1 ZINC000085006533 182340080 /nfs/dbraw/zinc/34/00/80/182340080.db2.gz LGYHRROWGFYRPZ-APPZFPTMSA-N -1 0 239.296 1.731 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1F ZINC000004105091 182379439 /nfs/dbraw/zinc/37/94/39/182379439.db2.gz UUPDSGSJUTZAKM-NKWVEPMBSA-N -1 0 223.203 1.485 50 0 BDAARM O=C([O-])CCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 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/nfs/dbraw/zinc/91/43/19/384914319.db2.gz BOFYBDURXYKOEZ-UHFFFAOYSA-N -1 0 213.277 1.500 50 0 BDAARM C[C@H]1Oc2c(cccc2C(=O)[O-])NC1=O ZINC000057218691 384933226 /nfs/dbraw/zinc/93/32/26/384933226.db2.gz CJWMPXSPYXEIOE-RXMQYKEDSA-N -1 0 207.185 1.104 50 0 BDAARM O=C([O-])CCCCNC(=O)[C@@H]1CC=CCC1 ZINC000070191274 384987177 /nfs/dbraw/zinc/98/71/77/384987177.db2.gz FWFNTLQVJPTCLW-SNVBAGLBSA-N -1 0 225.288 1.714 50 0 BDAARM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004709279 385002921 /nfs/dbraw/zinc/00/29/21/385002921.db2.gz LDDIEXIHIFHFJB-ARJAWSKDSA-N -1 0 249.222 1.037 50 0 BDAARM O=C([O-])c1cccc(-c2cccnc2F)n1 ZINC000585672409 385132925 /nfs/dbraw/zinc/13/29/25/385132925.db2.gz PCAPJHRWJHJWLO-UHFFFAOYSA-N -1 0 218.187 1.981 50 0 BDAARM C[C@](NC(=O)CC1CCCC1)(C(=O)[O-])C1CC1 ZINC000038137720 385184774 /nfs/dbraw/zinc/18/47/74/385184774.db2.gz AOJVANVFXPTMQE-CYBMUJFWSA-N -1 0 239.315 1.936 50 0 BDAARM O=C([O-])c1ccc(C(F)(F)F)nc1F ZINC000085395452 385158881 /nfs/dbraw/zinc/15/88/81/385158881.db2.gz IIXAAQLXVLZXBZ-UHFFFAOYSA-N -1 0 209.098 1.938 50 0 BDAARM CC(C)c1cnc([N-]S(C)(=O)=O)s1 ZINC000130094105 385218275 /nfs/dbraw/zinc/21/82/75/385218275.db2.gz JGDQWXZSUCUWCD-UHFFFAOYSA-N -1 0 220.319 1.638 50 0 BDAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccccc1C ZINC000020085907 385412955 /nfs/dbraw/zinc/41/29/55/385412955.db2.gz WQSRAJXSDZDCLX-VQHVLOKHSA-N -1 0 219.240 1.964 50 0 BDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccncc2)C1 ZINC000062912624 385620052 /nfs/dbraw/zinc/62/00/52/385620052.db2.gz PJNDKGBWRWGROS-GFCCVEGCSA-N -1 0 234.255 1.018 50 0 BDAARM Cc1occc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062912715 385620585 /nfs/dbraw/zinc/62/05/85/385620585.db2.gz XIQLSCLXPYAECO-GFCCVEGCSA-N -1 0 237.255 1.525 50 0 BDAARM Cc1cc(=O)[nH]c2ccc(S(=O)(=O)[O-])cc12 ZINC000065361965 385627794 /nfs/dbraw/zinc/62/77/94/385627794.db2.gz AARZHOHYUAHHNW-UHFFFAOYSA-N -1 0 239.252 1.083 50 0 BDAARM Cc1cccc(CC(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000052127603 385700362 /nfs/dbraw/zinc/70/03/62/385700362.db2.gz FJBYQJRLPFSUQZ-NSHDSACASA-N -1 0 249.310 1.717 50 0 BDAARM Cc1ccc(C(=O)NCC(=O)[O-])cc1Cl ZINC000063021085 385719617 /nfs/dbraw/zinc/71/96/17/385719617.db2.gz MWOXJROFNAACRF-UHFFFAOYSA-N -1 0 227.647 1.463 50 0 BDAARM O=C([O-])CCCC(=O)Nc1ccc2c[nH]nc2c1 ZINC000012774551 386139233 /nfs/dbraw/zinc/13/92/33/386139233.db2.gz XRNSLQUWCUHZRN-UHFFFAOYSA-N -1 0 247.254 1.756 50 0 BDAARM O=C([O-])CC[C@]1(Cc2ccco2)CCC(=O)N1 ZINC000299776713 386490195 /nfs/dbraw/zinc/49/01/95/386490195.db2.gz DDICOVGBKIVWGB-LBPRGKRZSA-N -1 0 237.255 1.336 50 0 BDAARM Cc1ccc(C)c(C2=NO[C@@H](C(=O)[O-])C2)c1 ZINC000049669985 386993551 /nfs/dbraw/zinc/99/35/51/386993551.db2.gz XCEGVXYQUJAHLU-LLVKDONJSA-N -1 0 219.240 1.881 50 0 BDAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2ccccn2)C1 ZINC000237959354 387203581 /nfs/dbraw/zinc/20/35/81/387203581.db2.gz CQIFKIJAYCFZQA-YEZKRMTDSA-N -1 0 246.266 1.028 50 0 BDAARM O=C([O-])[C@H]1CN(c2ncccn2)CC12CCC2 ZINC000575608891 387402106 /nfs/dbraw/zinc/40/21/06/387402106.db2.gz PTQPESQPAXLMQO-SECBINFHSA-N -1 0 233.271 1.168 50 0 BDAARM CC(C)(CC(=O)[O-])CC(=O)NC1=NCCS1 ZINC000006305545 387789829 /nfs/dbraw/zinc/78/98/29/387789829.db2.gz FVDUNBNLTXCLHF-UHFFFAOYSA-N -1 0 244.316 1.096 50 0 BDAARM O=C([O-])/C=C/C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000001728523 387818129 /nfs/dbraw/zinc/81/81/29/387818129.db2.gz PEJLLAYEHDKJKZ-OWOJBTEDSA-N -1 0 249.310 1.712 50 0 BDAARM Cc1cc(C)c(O)c(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000045953729 388004023 /nfs/dbraw/zinc/00/40/23/388004023.db2.gz MAQYZUJZKBQIRF-VIFPVBQESA-N -1 0 249.266 1.447 50 0 BDAARM O=C([O-])/C=C/C(=O)NC1CCCCCC1 ZINC000004661268 322813730 /nfs/dbraw/zinc/81/37/30/322813730.db2.gz JARATTBMUWNTGY-BQYQJAHWSA-N -1 0 211.261 1.466 50 0 BDAARM Cc1cc(C(=O)[O-])nn1Cc1ccccc1 ZINC000011729625 256515069 /nfs/dbraw/zinc/51/50/69/256515069.db2.gz AIYMHQTUFQNZMJ-UHFFFAOYSA-N -1 0 216.240 1.938 50 0 BDAARM O=C([O-])c1cccc(-c2cnc3n2CCS3)n1 ZINC000075809080 388352761 /nfs/dbraw/zinc/35/27/61/388352761.db2.gz UMUXVPVJHXEVPU-UHFFFAOYSA-N -1 0 247.279 1.749 50 0 BDAARM Cc1ccc(NC(=O)Cn2ccnc2)c(O)c1 ZINC000089623469 388355946 /nfs/dbraw/zinc/35/59/46/388355946.db2.gz BUOKEKOBLNYSOI-UHFFFAOYSA-N -1 0 231.255 1.536 50 0 BDAARM Cn1cc(C=NNc2ccc(C(=O)[O-])cc2)cn1 ZINC000254761172 388360237 /nfs/dbraw/zinc/36/02/37/388360237.db2.gz RSAJMTXJJQEDBT-UHFFFAOYSA-N -1 0 244.254 1.564 50 0 BDAARM Cc1cc(NC2=C(C(=O)C(=O)[O-])CCC2)n(C)n1 ZINC000254826953 388370855 /nfs/dbraw/zinc/37/08/55/388370855.db2.gz GIXKATVMUJLLLY-QMMMGPOBSA-N -1 0 249.270 1.255 50 0 BDAARM CC(=O)c1c(C)nn(-c2ccc(C(=O)[O-])o2)c1C ZINC000067871492 388407097 /nfs/dbraw/zinc/40/70/97/388407097.db2.gz STPQGSXBWJSNCQ-UHFFFAOYSA-N -1 0 248.238 1.983 50 0 BDAARM C[Si](C)(C)c1ccc(C(=O)[O-])s1 ZINC000195816449 388604902 /nfs/dbraw/zinc/60/49/02/388604902.db2.gz APCJEUAHYFIVKA-UHFFFAOYSA-N -1 0 200.335 1.992 50 0 BDAARM Cc1cc(=O)oc2c(C)c(OCC(=O)[O-])ccc12 ZINC000000489658 177721073 /nfs/dbraw/zinc/72/10/73/177721073.db2.gz UUOBHEVDLOLOHB-UHFFFAOYSA-N -1 0 248.234 1.873 50 0 biogenic BDAARM CCC[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000252584754 388646693 /nfs/dbraw/zinc/64/66/93/388646693.db2.gz COYXTDZYVGDKHY-GUBZILKMSA-N -1 0 225.288 1.402 50 0 BDAARM Cn1cccc1-c1cccc(C(=O)[O-])n1 ZINC000074211116 388647526 /nfs/dbraw/zinc/64/75/26/388647526.db2.gz XEAKZZAOWKZDOW-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM CCC[C@H](NC(=O)c1occc1C)c1nnn[n-]1 ZINC000095287747 388763420 /nfs/dbraw/zinc/76/34/20/388763420.db2.gz LPHKDAHVPRUSKU-QMMMGPOBSA-N -1 0 249.274 1.372 50 0 BDAARM CCN(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000097039163 388831719 /nfs/dbraw/zinc/83/17/19/388831719.db2.gz ZLQPUKZHASXWIF-UHFFFAOYSA-N -1 0 235.283 1.796 50 0 BDAARM O=C([O-])C1CCN(c2ccc(Cl)nn2)CC1 ZINC000000169108 132312926 /nfs/dbraw/zinc/31/29/26/132312926.db2.gz DLQSEGIGDCETIS-UHFFFAOYSA-N -1 0 241.678 1.431 50 0 BDAARM O=C([O-])C1CCN(c2cc(Cl)ncn2)CC1 ZINC000032951426 132335925 /nfs/dbraw/zinc/33/59/25/132335925.db2.gz WPBPHTLCTCFTPH-UHFFFAOYSA-N -1 0 241.678 1.431 50 0 BDAARM CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc21 ZINC000070390833 169725937 /nfs/dbraw/zinc/72/59/37/169725937.db2.gz GHGZWALOQNKEQD-SNVBAGLBSA-N -1 0 249.266 1.096 50 0 BDAARM Cc1ccc(C(=O)[O-])cc1N1CCOCC1 ZINC000004245085 132316488 /nfs/dbraw/zinc/31/64/88/132316488.db2.gz XIRXLFWLLYSPOR-UHFFFAOYSA-N -1 0 221.256 1.530 50 0 BDAARM Cc1ccc(N2CCC(C(=O)[O-])CC2)nn1 ZINC000011567993 132319483 /nfs/dbraw/zinc/31/94/83/132319483.db2.gz LLSIANFQCNHJPF-UHFFFAOYSA-N -1 0 221.260 1.086 50 0 BDAARM Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)nn1 ZINC000011568010 132319497 /nfs/dbraw/zinc/31/94/97/132319497.db2.gz JLYCQNXYBQSYSI-SECBINFHSA-N -1 0 221.260 1.086 50 0 BDAARM O=C([O-])[C@H]1CN(C(=O)C2CC2)c2ccccc2O1 ZINC000013434762 132321744 /nfs/dbraw/zinc/32/17/44/132321744.db2.gz SPJOVUDQIZMHBO-LLVKDONJSA-N -1 0 247.250 1.275 50 0 BDAARM C[C@H](NC(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC000013683504 132322472 /nfs/dbraw/zinc/32/24/72/132322472.db2.gz ARPNHZZUYBZAPM-VIFPVBQESA-N -1 0 248.282 1.622 50 0 BDAARM C[C@@H]1CN(c2cc(C(=O)[O-])ccn2)CCO1 ZINC000019844663 132327579 /nfs/dbraw/zinc/32/75/79/132327579.db2.gz OHKHOZMYPXKQMG-MRVPVSSYSA-N -1 0 222.244 1.005 50 0 BDAARM O=C([O-])c1cc(F)ccc1N1CCOCC1 ZINC000037233797 132343857 /nfs/dbraw/zinc/34/38/57/132343857.db2.gz WNAOSSZZNGQFBY-UHFFFAOYSA-N -1 0 225.219 1.361 50 0 BDAARM Cc1ccccc1N1C[C@H](C(=O)[O-])CCC1=O ZINC000051602721 132361502 /nfs/dbraw/zinc/36/15/02/132361502.db2.gz CVISNZAZYIATQM-SNVBAGLBSA-N -1 0 233.267 1.823 50 0 BDAARM Cc1ncoc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262598281 135307949 /nfs/dbraw/zinc/30/79/49/135307949.db2.gz JHTMEHRFCLETNN-ZETCQYMHSA-N -1 0 238.243 1.061 50 0 BDAARM Cc1noc2ncc(NC(=O)[C@H](C)C(=O)[O-])cc12 ZINC000263178269 135337785 /nfs/dbraw/zinc/33/77/85/135337785.db2.gz SZSXDDABDWWXDT-YFKPBYRVSA-N -1 0 249.226 1.190 50 0 BDAARM CCCN(CC(=O)[O-])C(=O)[C@@]1(C)CC1(F)F ZINC000263189981 135338867 /nfs/dbraw/zinc/33/88/67/135338867.db2.gz LCSSWIOHVQKHNV-SECBINFHSA-N -1 0 235.230 1.355 50 0 BDAARM COc1c(O)cc(C(=O)[O-])cc1Br ZINC000013379435 398088172 /nfs/dbraw/zinc/08/81/72/398088172.db2.gz XKPMZMJYQDNWDG-UHFFFAOYSA-N -1 0 247.044 1.862 50 0 BDAARM CCCCCC[C@@H](CC(=O)[O-])NC(C)=O ZINC000002839280 398123467 /nfs/dbraw/zinc/12/34/67/398123467.db2.gz VMIOCPMZZAXBSE-JTQLQIEISA-N -1 0 215.293 1.936 50 0 BDAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccccc1F ZINC000004744977 166231895 /nfs/dbraw/zinc/23/18/95/166231895.db2.gz WQSSJEABQCDTHV-SREVYHEPSA-N -1 0 223.203 1.795 50 0 BDAARM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)[O-])C[C@H]12 ZINC000082164444 166654609 /nfs/dbraw/zinc/65/46/09/166654609.db2.gz VWXMXVVMJQHITP-CPCISQLKSA-N -1 0 227.260 1.471 50 0 BDAARM O=C1CCCc2[n-]c(=N[N+](=O)[O-])sc21 ZINC000004113452 411191116 /nfs/dbraw/zinc/19/11/16/411191116.db2.gz WNJVXIPCUJFTSK-UHFFFAOYSA-N -1 0 213.218 1.266 50 0 BDAARM CC1(C)C[C@@](O)(c2cc(C(=O)[O-])no2)CCO1 ZINC000015081357 167991140 /nfs/dbraw/zinc/99/11/40/167991140.db2.gz BMLQQWUTUVXMDM-LLVKDONJSA-N -1 0 241.243 1.149 50 0 BDAARM Cc1cc(=O)n(-c2cccc(C(=O)[O-])c2)[nH]1 ZINC000018217628 168133468 /nfs/dbraw/zinc/13/34/68/168133468.db2.gz ZAHMVJOIEBCBPB-UHFFFAOYSA-N -1 0 218.212 1.497 50 0 BDAARM CCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000394103 170082212 /nfs/dbraw/zinc/08/22/12/170082212.db2.gz TYRVXLIAZXPCND-UHFFFAOYSA-N -1 0 242.300 1.003 50 0 BDAARM CCNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000043828288 170085531 /nfs/dbraw/zinc/08/55/31/170085531.db2.gz INBXMIAYCHEVHS-UHFFFAOYSA-N -1 0 236.271 1.845 50 0 BDAARM CCNC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000019094376 170099212 /nfs/dbraw/zinc/09/92/12/170099212.db2.gz KUBXPGRPHGZSAH-PELKAZGASA-N -1 0 227.304 1.650 50 0 BDAARM CCOCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043583838 170340421 /nfs/dbraw/zinc/34/04/21/170340421.db2.gz NQNDZGURJAPPFK-JTQLQIEISA-N -1 0 243.303 1.126 50 0 BDAARM CCO[N-]C(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000032848315 170466790 /nfs/dbraw/zinc/46/67/90/170466790.db2.gz BTUKKEJNRMNEEC-QMMMGPOBSA-N -1 0 227.235 1.661 50 0 BDAARM CCOc1cccc2cc(C(=O)[O-])c(=O)oc21 ZINC000000084547 170588359 /nfs/dbraw/zinc/58/83/59/170588359.db2.gz JMFDBVXPWUZBIE-UHFFFAOYSA-N -1 0 234.207 1.890 50 0 BDAARM CC[C@@H](C(=O)[O-])[S@@](=O)c1ccccc1 ZINC000040955169 170670366 /nfs/dbraw/zinc/67/03/66/170670366.db2.gz JRSLIZYFMPWEEY-LKFCYVNXSA-N -1 0 212.270 1.657 50 0 BDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccnc1 ZINC000097018175 171163676 /nfs/dbraw/zinc/16/36/76/171163676.db2.gz OYXZOATVMLALHA-LBPRGKRZSA-N -1 0 236.271 1.455 50 0 BDAARM CC[C@H](C)[C@H](NC(=O)C(F)=C(C)C)C(=O)[O-] ZINC000190820191 171398238 /nfs/dbraw/zinc/39/82/38/171398238.db2.gz JQQVLBDMYAORGK-CBAPKCEASA-N -1 0 231.267 1.865 50 0 BDAARM CCc1ccc(C(=O)NC2(C(=O)[O-])CC2)o1 ZINC000096424765 171784811 /nfs/dbraw/zinc/78/48/11/171784811.db2.gz YDJYCBRTFVOCBA-UHFFFAOYSA-N -1 0 223.228 1.189 50 0 BDAARM CCc1nc(NCCCOC)ncc1C(=O)[O-] ZINC000075166014 171998669 /nfs/dbraw/zinc/99/86/69/171998669.db2.gz DZURWDZALDFFGM-UHFFFAOYSA-N -1 0 239.275 1.186 50 0 BDAARM CCn1cc(C(=O)[O-])c(=O)c2cccc(OC)c21 ZINC000001735141 172156859 /nfs/dbraw/zinc/15/68/59/172156859.db2.gz CIAVNLVPVOWGGX-UHFFFAOYSA-N -1 0 247.250 1.728 50 0 BDAARM CCn1nc(C(F)(F)F)cc1CC(=O)[O-] ZINC000072209559 172242254 /nfs/dbraw/zinc/24/22/54/172242254.db2.gz AAGLZRQRFPSIHE-UHFFFAOYSA-N -1 0 222.166 1.549 50 0 BDAARM CCn1ncc(-c2cc(C(=O)[O-])on2)c1C ZINC000002538065 172251455 /nfs/dbraw/zinc/25/14/55/172251455.db2.gz FKGSVAZABZXXDJ-UHFFFAOYSA-N -1 0 221.216 1.565 50 0 BDAARM CN1c2cc(F)ccc2[C@@H](CC(=O)[O-])C1=O ZINC000100272371 172972530 /nfs/dbraw/zinc/97/25/30/172972530.db2.gz IRHQMKCLFAKTJU-MRVPVSSYSA-N -1 0 223.203 1.360 50 0 BDAARM COC(=O)[C@]1(C)CC[C@H](C(=O)[O-])C1(C)C ZINC000000160441 173836865 /nfs/dbraw/zinc/83/68/65/173836865.db2.gz CNHMFZIFLREWPF-HQJQHLMTSA-N -1 0 214.261 1.687 50 0 biogenic BDAARM COCCOC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000032627864 174343301 /nfs/dbraw/zinc/34/33/01/174343301.db2.gz MQOBJHKKDPTKHC-UHFFFAOYSA-N -1 0 241.243 1.133 50 0 BDAARM CO[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000072312206 174853560 /nfs/dbraw/zinc/85/35/60/174853560.db2.gz MRPRAILKWZVBOV-RXMQYKEDSA-N -1 0 201.247 1.857 50 0 BDAARM CO[C@H](Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000096029527 174871741 /nfs/dbraw/zinc/87/17/41/174871741.db2.gz BWVGRRPSIBTFCM-GXSJLCMTSA-N -1 0 208.257 1.965 50 0 BDAARM COc1cc2c(cc(C(=O)[O-])n2C)c(OC)c1 ZINC000003881742 175009305 /nfs/dbraw/zinc/00/93/05/175009305.db2.gz BEBFQDDKTUAVDH-UHFFFAOYSA-N -1 0 235.239 1.894 50 0 biogenic BDAARM COc1ccc(-n2cc(C(=O)[O-])cn2)cc1 ZINC000019737090 175044249 /nfs/dbraw/zinc/04/42/49/175044249.db2.gz YXDPASMCMVABFS-UHFFFAOYSA-N -1 0 218.212 1.579 50 0 BDAARM COc1ccc(C(=O)C(=O)[O-])cc1Cl ZINC000036893449 175053146 /nfs/dbraw/zinc/05/31/46/175053146.db2.gz GOIYEFHSLYIQBZ-UHFFFAOYSA-N -1 0 214.604 1.616 50 0 BDAARM COc1ccc(C(=O)CCC(=O)[O-])cc1F ZINC000000394367 175053980 /nfs/dbraw/zinc/05/39/80/175053980.db2.gz SNRFVYKMDZSFED-UHFFFAOYSA-N -1 0 226.203 1.882 50 0 BDAARM COc1ccc(OC)c2c(N)c(C(=O)[O-])cnc12 ZINC000040175618 175170126 /nfs/dbraw/zinc/17/01/26/175170126.db2.gz UPMCTBJKUQVFMK-UHFFFAOYSA-N -1 0 248.238 1.532 50 0 biogenic BDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=NC(=O)N2)cc1 ZINC000001396134 175182247 /nfs/dbraw/zinc/18/22/47/175182247.db2.gz ADWNJWMAZQJMIE-VIFPVBQESA-N -1 0 248.238 1.018 50 0 BDAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000040162851 175198963 /nfs/dbraw/zinc/19/89/63/175198963.db2.gz QNSWMCHYUYYFKA-PWSUYJOCSA-N -1 0 249.266 1.299 50 0 BDAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000138410 175199078 /nfs/dbraw/zinc/19/90/78/175199078.db2.gz ZQRSXNJVEHLFCE-ZJUUUORDSA-N -1 0 239.296 1.483 50 0 BDAARM COc1ccc2c(c1)C[C@@H](C(=O)[O-])CO2 ZINC000002526894 175210405 /nfs/dbraw/zinc/21/04/05/175210405.db2.gz YFYLMFXPYODSEB-MRVPVSSYSA-N -1 0 208.213 1.331 50 0 biogenic BDAARM COc1ccc2c(c1)c(=O)c(C(=O)[O-])cn2C ZINC000026507962 175217603 /nfs/dbraw/zinc/21/76/03/175217603.db2.gz FCDXTJFAMMWFPJ-UHFFFAOYSA-N -1 0 233.223 1.245 50 0 biogenic BDAARM COc1ccc2cc(CC(=O)[O-])c(=O)[nH]c2c1 ZINC000012016296 175224802 /nfs/dbraw/zinc/22/48/02/175224802.db2.gz PQDUHNVQASKBJU-UHFFFAOYSA-N -1 0 233.223 1.164 50 0 BDAARM COc1cccc(-c2cc(CC(=O)[O-])no2)c1 ZINC000020270432 175233595 /nfs/dbraw/zinc/23/35/95/175233595.db2.gz ZWHRIAJIMNCEDQ-UHFFFAOYSA-N -1 0 233.223 1.977 50 0 BDAARM COc1cccc(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC000037588398 175243096 /nfs/dbraw/zinc/24/30/96/175243096.db2.gz GYGGEGXYYRURMZ-UHFFFAOYSA-N -1 0 249.266 1.384 50 0 BDAARM COc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000000266689 175275751 /nfs/dbraw/zinc/27/57/51/175275751.db2.gz UFHSYKGLJVRMNV-MRVPVSSYSA-N -1 0 235.239 1.133 50 0 BDAARM COc1ccccc1-n1cc(C(=O)[O-])ccc1=O ZINC000049853275 175313293 /nfs/dbraw/zinc/31/32/93/175313293.db2.gz YCZVPKFKGYJRQL-UHFFFAOYSA-N -1 0 245.234 1.544 50 0 BDAARM COc1ccccc1Cn1nn[n-]c1=S ZINC000015924227 175334824 /nfs/dbraw/zinc/33/48/24/175334824.db2.gz WNQZTOHANKBBNM-UHFFFAOYSA-N -1 0 222.273 1.019 50 0 BDAARM COc1nc(N2CCCC2)ccc1C(=O)[O-] ZINC000039961348 175392588 /nfs/dbraw/zinc/39/25/88/175392588.db2.gz XWNCVUABFXDCBB-UHFFFAOYSA-N -1 0 222.244 1.389 50 0 BDAARM C[C@@H](CN(C(=O)c1ccncc1)C1CC1)C(=O)[O-] ZINC000071732650 175694657 /nfs/dbraw/zinc/69/46/57/175694657.db2.gz YXJFEZKKYVONSY-VIFPVBQESA-N -1 0 248.282 1.407 50 0 BDAARM C[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000005531988 175840824 /nfs/dbraw/zinc/84/08/24/175840824.db2.gz NPBMFLBWLQUVAV-ZCFIWIBFSA-N -1 0 242.662 1.935 50 0 BDAARM C[C@@H]1C(=O)N=C([O-])N1c1ccc(F)cc1 ZINC000004218997 176045444 /nfs/dbraw/zinc/04/54/44/176045444.db2.gz ROVJZYRAYUJYKN-ZCFIWIBFSA-N -1 0 208.192 1.270 50 0 BDAARM C[C@@H](NC(=O)CO[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237422113 176146333 /nfs/dbraw/zinc/14/63/33/176146333.db2.gz VQEPAFVKPQSPLT-BBBLOLIVSA-N -1 0 243.303 1.171 50 0 BDAARM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000004202436 176252958 /nfs/dbraw/zinc/25/29/58/176252958.db2.gz ZFQQTPBWJCJGSV-BDAKNGLRSA-N -1 0 243.303 1.964 50 0 BDAARM C[C@H](C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000020223617 176584417 /nfs/dbraw/zinc/58/44/17/176584417.db2.gz MONMTZLCRRBKIN-ZCFIWIBFSA-N -1 0 232.232 1.073 50 0 BDAARM C[C@H](O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000004818611 177017570 /nfs/dbraw/zinc/01/75/70/177017570.db2.gz HYXWPWDQRFUYEF-QMMMGPOBSA-N -1 0 237.255 1.543 50 0 BDAARM C[C@H](Oc1ccc(-n2cncn2)cc1)C(=O)[O-] ZINC000004290628 177022586 /nfs/dbraw/zinc/02/25/86/177022586.db2.gz JHDUKKLODZSVFM-QMMMGPOBSA-N -1 0 233.227 1.119 50 0 BDAARM C[C@H](Sc1ccccc1C(=O)[O-])C(N)=O ZINC000012976510 177029474 /nfs/dbraw/zinc/02/94/74/177029474.db2.gz INPZSIQXDTVYPY-LURJTMIESA-N -1 0 225.269 1.351 50 0 BDAARM C[C@H](c1c[nH]c2ccccc21)[C@@H](O)C(=O)[O-] ZINC000012401857 177032194 /nfs/dbraw/zinc/03/21/94/177032194.db2.gz NUFXPJOTSOMKFZ-RDDDGLTNSA-N -1 0 219.240 1.717 50 0 biogenic,in-vitro BDAARM C[C@H](c1ccco1)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262580692 177047302 /nfs/dbraw/zinc/04/73/02/177047302.db2.gz FNHDGYKMKZFUKI-HLTSFMKQSA-N -1 0 237.255 1.520 50 0 BDAARM C[C@H]1CCC[C@@H](C(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000237510893 177112611 /nfs/dbraw/zinc/11/26/11/177112611.db2.gz ASEOQNVPPKXIDV-VHSXEESVSA-N -1 0 239.315 1.888 50 0 BDAARM Cc1c2ccccc2oc(=O)c1C(=O)[O-] ZINC000021085113 177571061 /nfs/dbraw/zinc/57/10/61/177571061.db2.gz PZHSARNBSOWZHY-UHFFFAOYSA-N -1 0 204.181 1.800 50 0 biogenic BDAARM Cc1cnc(CSc2n[nH]c(=O)[n-]2)s1 ZINC000194639281 487800252 /nfs/dbraw/zinc/80/02/52/487800252.db2.gz CXKUEZTVZNVCEN-UHFFFAOYSA-N -1 0 228.302 1.568 50 0 BDAARM CN(CCC(=O)[O-])C(=O)CC[C@@H]1CCCCO1 ZINC000069385659 522681561 /nfs/dbraw/zinc/68/15/61/522681561.db2.gz HIYNAHVULBFQLJ-JTQLQIEISA-N -1 0 243.303 1.269 50 0 BDAARM O=C([O-])C[C@@H](n1cccn1)C(F)(F)F ZINC000062757304 527627118 /nfs/dbraw/zinc/62/71/18/527627118.db2.gz KMYZQFSKQZWVLP-RXMQYKEDSA-N -1 0 208.139 1.461 50 0 BDAARM CCC(=O)c1cccc(NC(=O)[C@H](C)C(=O)[O-])c1 ZINC000263547146 535346203 /nfs/dbraw/zinc/34/62/03/535346203.db2.gz HUVZNFNTUIFDNV-QMMMGPOBSA-N -1 0 249.266 1.939 50 0 BDAARM CC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1C(=O)[O-] ZINC000169743186 566334144 /nfs/dbraw/zinc/33/41/44/566334144.db2.gz LIEWITJXZYCDLE-ZETCQYMHSA-N -1 0 229.352 1.677 50 0 BDAARM CC/C=C(/C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000082404061 600021113 /nfs/dbraw/zinc/02/11/13/600021113.db2.gz KVJOVWAKZHPHRI-BSKOKIOFSA-N -1 0 225.288 1.666 50 0 BDAARM COC(=O)Cc1sccc1C(=O)[O-] ZINC000075601490 631268597 /nfs/dbraw/zinc/26/85/97/631268597.db2.gz FZAIXCNBBGNPOF-UHFFFAOYSA-N -1 0 200.215 1.162 50 0 BDAARM CCOc1ccccc1-c1nc(=O)o[n-]1 ZINC000037926825 712788033 /nfs/dbraw/zinc/78/80/33/712788033.db2.gz ORZYBEYDOAQNIJ-UHFFFAOYSA-N -1 0 206.201 1.841 50 0 BDAARM O=C([O-])[C@]1([C@H]2CCCCO2)CCCO1 ZINC000686648125 965215898 /nfs/dbraw/zinc/21/58/98/965215898.db2.gz XPIPLZHHJRBITM-PSASIEDQSA-N -1 0 200.234 1.189 50 0 BDAARM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])no1 ZINC000002765652 178126627 /nfs/dbraw/zinc/12/66/27/178126627.db2.gz CIGIIZLSONXBFW-UHFFFAOYSA-N -1 0 240.259 1.813 50 0 BDAARM Cc1cc(NC(=O)[C@@H]2CCOC2)ccc1C(=O)[O-] ZINC000044750074 178145029 /nfs/dbraw/zinc/14/50/29/178145029.db2.gz QJACNHVABKQRDC-SECBINFHSA-N -1 0 249.266 1.668 50 0 BDAARM Cc1cc(NC(=O)[C@H](C)SCC(=O)[O-])no1 ZINC000002619101 178147111 /nfs/dbraw/zinc/14/71/11/178147111.db2.gz ZBEXNNBFUQYXAV-LURJTMIESA-N -1 0 244.272 1.128 50 0 BDAARM Cc1cc([O-])nn(-c2ccccc2)c1=O ZINC000000105053 178205243 /nfs/dbraw/zinc/20/52/43/178205243.db2.gz MKHTVVUEZRLOOD-UHFFFAOYSA-N -1 0 202.213 1.247 50 0 BDAARM Cc1cc(OCC(=O)[O-])c(C)c(C)c1O ZINC000000408076 178208931 /nfs/dbraw/zinc/20/89/31/178208931.db2.gz WPPGNHRNMHFJJK-UHFFFAOYSA-N -1 0 210.229 1.781 50 0 BDAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1CC1 ZINC000016626803 178209565 /nfs/dbraw/zinc/20/95/65/178209565.db2.gz JINMVCGEDAZSRJ-UHFFFAOYSA-N -1 0 249.266 1.807 50 0 BDAARM Cc1ccc([C@H](O)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000170598005 361775768 /nfs/dbraw/zinc/77/57/68/361775768.db2.gz UORJSGANYOWVEB-OIBJUYFYSA-N -1 0 239.227 1.657 50 0 BDAARM Cc1cc2ncn(CC(=O)[O-])c2cc1C ZINC000000393641 178305067 /nfs/dbraw/zinc/30/50/67/178305067.db2.gz FSWUHNJXLGYKCJ-UHFFFAOYSA-N -1 0 204.229 1.738 50 0 in-vitro BDAARM Cc1c(C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000011888144 178349590 /nfs/dbraw/zinc/34/95/90/178349590.db2.gz NREIBQOWBHBDHC-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1ccc(-n2c(=O)c(C)c([O-])[nH]c2=S)cc1 ZINC000100306175 178345836 /nfs/dbraw/zinc/34/58/36/178345836.db2.gz HXEMYZORDATXHW-UHFFFAOYSA-N -1 0 248.307 1.844 50 0 BDAARM Cc1ccc(C([O-])=CS(C)(=O)=O)cc1 ZINC000000565318 178372886 /nfs/dbraw/zinc/37/28/86/178372886.db2.gz YEQSKFZIZAQXOG-UHFFFAOYSA-N -1 0 212.270 1.222 50 0 BDAARM Cc1ccc(C(=O)NC[C@@H](C)C(=O)[O-])c(C)c1 ZINC000054309396 178411555 /nfs/dbraw/zinc/41/15/55/178411555.db2.gz JVSFSPGKMJISOI-SNVBAGLBSA-N -1 0 235.283 1.754 50 0 BDAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(F)cc2)N1 ZINC000000068657 342672773 /nfs/dbraw/zinc/67/27/73/342672773.db2.gz GPKWJQGAXZSDCF-BDAKNGLRSA-N -1 0 227.260 1.614 50 0 BDAARM CC(C)(C)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000000087471 342673899 /nfs/dbraw/zinc/67/38/99/342673899.db2.gz DGHGSRKOCYEOSW-UHFFFAOYSA-N -1 0 235.283 1.799 50 0 biogenic,in-vitro BDAARM O=C([O-])c1cc(Br)ccc1O ZINC000000154623 342677785 /nfs/dbraw/zinc/67/77/85/342677785.db2.gz IEJOONSLOGAXNO-UHFFFAOYSA-N -1 0 217.018 1.853 50 0 BDAARM Cc1cc(C)nc(NC(C)(C)C(=O)[O-])n1 ZINC000000180421 342679589 /nfs/dbraw/zinc/67/95/89/342679589.db2.gz FJGGQSQOYIRBGE-UHFFFAOYSA-N -1 0 209.249 1.369 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000000236473 342680939 /nfs/dbraw/zinc/68/09/39/342680939.db2.gz ZOLDEFAIBWNKIN-ZJUUUORDSA-N -1 0 225.288 1.500 50 0 BDAARM O=C([O-])[C@@H]1CCCN1C(=O)Oc1ccccc1 ZINC000000307665 342682881 /nfs/dbraw/zinc/68/28/81/342682881.db2.gz OUPMLYISWFZSNV-JTQLQIEISA-N -1 0 235.239 1.734 50 0 BDAARM CCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000317465 342683359 /nfs/dbraw/zinc/68/33/59/342683359.db2.gz ZKFRIZLJBPRXKI-SECBINFHSA-N -1 0 249.266 1.523 50 0 BDAARM Cc1cc(C)n2nc(C(=O)[O-])c(Cl)c2n1 ZINC000000370216 342685092 /nfs/dbraw/zinc/68/50/92/342685092.db2.gz NNTLVMHBKVFBRE-UHFFFAOYSA-N -1 0 225.635 1.698 50 0 BDAARM O=C([O-])c1cc(O)c2ccccc2c1O ZINC000000409255 342686950 /nfs/dbraw/zinc/68/69/50/342686950.db2.gz VOJUXHHACRXLTD-UHFFFAOYSA-N -1 0 204.181 1.949 50 0 in-vitro,metabolite BDAARM Nc1cc(C(=O)[O-])c(O)c(Cl)c1O ZINC000000409813 342687352 /nfs/dbraw/zinc/68/73/52/342687352.db2.gz MENMTLJLHDNGKY-UHFFFAOYSA-N -1 0 203.581 1.032 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000000445181 342687759 /nfs/dbraw/zinc/68/77/59/342687759.db2.gz KSWNBXOCSNHTLX-LLVKDONJSA-N -1 0 233.267 1.766 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000000445180 342687797 /nfs/dbraw/zinc/68/77/97/342687797.db2.gz KSWNBXOCSNHTLX-NSHDSACASA-N -1 0 233.267 1.766 50 0 BDAARM O=C([O-])c1ccn(COc2ccccc2)n1 ZINC000000032358 342670430 /nfs/dbraw/zinc/67/04/30/342670430.db2.gz MGRKBHPBCKJFBU-UHFFFAOYSA-N -1 0 218.212 1.618 50 0 BDAARM O=C([O-])[C@H]1CS[C@H](c2cccs2)N1 ZINC000000054091 342671553 /nfs/dbraw/zinc/67/15/53/342671553.db2.gz ZUDFHYZUQCNUJF-IYSWYEEDSA-N -1 0 215.299 1.536 50 0 BDAARM Nc1nc2ccc(CCC(=O)[O-])cc2s1 ZINC000000911943 342694524 /nfs/dbraw/zinc/69/45/24/342694524.db2.gz PMKXQVFLMAHCTC-UHFFFAOYSA-N -1 0 222.269 1.896 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000001081350 342697234 /nfs/dbraw/zinc/69/72/34/342697234.db2.gz BUEPEVBYNBQNED-JGVFFNPUSA-N -1 0 229.276 1.764 50 0 BDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCC1 ZINC000001433306 342700968 /nfs/dbraw/zinc/70/09/68/342700968.db2.gz ROVVUKFHORPDSM-UHFFFAOYSA-N -1 0 215.249 1.518 50 0 BDAARM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000001433117 342700997 /nfs/dbraw/zinc/70/09/97/342700997.db2.gz RNJQBGXOSAQQDG-HTQZYQBOSA-N -1 0 229.276 1.764 50 0 in-vitro BDAARM O=C([O-])[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000001447056 342701093 /nfs/dbraw/zinc/70/10/93/342701093.db2.gz HAKVQQRIKXMAJZ-SNVBAGLBSA-N -1 0 225.288 1.642 50 0 BDAARM CC[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000001718563 342711148 /nfs/dbraw/zinc/71/11/48/342711148.db2.gz OACIMSFRSUBGQU-VIFPVBQESA-N -1 0 207.229 1.280 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCc2ccccc21 ZINC000004108841 342742437 /nfs/dbraw/zinc/74/24/37/342742437.db2.gz WPBWYYHYSTYXOM-ZJUUUORDSA-N -1 0 231.251 1.296 50 0 BDAARM O=C([O-])[C@@H]1COc2ccc(Cl)cc2C1 ZINC000004218625 342744561 /nfs/dbraw/zinc/74/45/61/342744561.db2.gz UTLYAMDODADLNQ-ZETCQYMHSA-N -1 0 212.632 1.976 50 0 BDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(C)cc1 ZINC000004237905 342745232 /nfs/dbraw/zinc/74/52/32/342745232.db2.gz NGKNKSOOFHUJQF-YPMHNXCESA-N -1 0 247.294 1.989 50 0 BDAARM COc1ccc2[nH]c(C(=O)[O-])c(C=O)c2c1 ZINC000004343188 342746858 /nfs/dbraw/zinc/74/68/58/342746858.db2.gz NZXXOJMGRWQUOZ-UHFFFAOYSA-N -1 0 219.196 1.687 50 0 biogenic BDAARM Cc1ccc(CSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000002474330 342721091 /nfs/dbraw/zinc/72/10/91/342721091.db2.gz NRCHZGNGUXNKCM-UHFFFAOYSA-N -1 0 249.295 1.471 50 0 BDAARM O=C([O-])c1ccc(C(=O)N2CCC(=O)CC2)cc1 ZINC000002569649 342724829 /nfs/dbraw/zinc/72/48/29/342724829.db2.gz XXONJRIUBHNYLZ-UHFFFAOYSA-N -1 0 247.250 1.190 50 0 BDAARM O=C([O-])c1ccc2c(c1)OC(F)(F)O2 ZINC000002569256 342724872 /nfs/dbraw/zinc/72/48/72/342724872.db2.gz VJLDRFCNFNQTTH-UHFFFAOYSA-N -1 0 202.112 1.706 50 0 BDAARM Cc1c(Br)cnc(N)c1C(=O)[O-] ZINC000002585536 342725924 /nfs/dbraw/zinc/72/59/24/342725924.db2.gz GZRCYDGRSVFTHH-UHFFFAOYSA-N -1 0 231.049 1.433 50 0 BDAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000003278534 342732145 /nfs/dbraw/zinc/73/21/45/342732145.db2.gz OAPMUFFGYRXTNL-UHFFFAOYSA-N -1 0 230.223 1.041 50 0 BDAARM Nc1ccnc(C(F)(F)F)c1C(=O)[O-] ZINC000034924714 342733226 /nfs/dbraw/zinc/73/32/26/342733226.db2.gz UKMOKFFSCVITQO-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM CC(C)(C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000003491488 342733997 /nfs/dbraw/zinc/73/39/97/342733997.db2.gz CVIINYKWACEMEQ-UHFFFAOYSA-N -1 0 213.277 1.356 50 0 BDAARM Cc1ccc(O)c(NC(=O)/C=C/C(=O)[O-])c1 ZINC000004793683 342752365 /nfs/dbraw/zinc/75/23/65/342752365.db2.gz RSJIKWWWSZKTRO-SNAWJCMRSA-N -1 0 221.212 1.280 50 0 BDAARM O=C([O-])c1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000004992574 342755958 /nfs/dbraw/zinc/75/59/58/342755958.db2.gz SNFPSSBYDIFPOX-UHFFFAOYSA-N -1 0 216.196 1.135 50 0 BDAARM Cc1onc(-c2cccnc2)c1C(=O)[O-] ZINC000004992686 342755993 /nfs/dbraw/zinc/75/59/93/342755993.db2.gz IXSNIYFVPQDCQJ-UHFFFAOYSA-N -1 0 204.185 1.743 50 0 BDAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccccc2)N1 ZINC000004719678 342750932 /nfs/dbraw/zinc/75/09/32/342750932.db2.gz KFBHKNNDUHHZKT-GHMZBOCLSA-N -1 0 243.266 1.098 50 0 BDAARM CC(C)(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000006643311 342780459 /nfs/dbraw/zinc/78/04/59/342780459.db2.gz VHYYHNBAUXHABM-UHFFFAOYSA-N -1 0 222.244 1.764 50 0 BDAARM Cn1nc(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000006677963 342780939 /nfs/dbraw/zinc/78/09/39/342780939.db2.gz BHZCZCULAVSPQF-UHFFFAOYSA-N -1 0 220.203 1.924 50 0 in-vitro BDAARM C[C@@H](C(=O)[O-])N1C(=O)Cc2ccccc21 ZINC000008306768 342797598 /nfs/dbraw/zinc/79/75/98/342797598.db2.gz HJECHQFTTGWUQW-ZETCQYMHSA-N -1 0 205.213 1.049 50 0 BDAARM CCc1nc2ccccc2n1CCC(=O)[O-] ZINC000008337462 342798187 /nfs/dbraw/zinc/79/81/87/342798187.db2.gz UJFYGDSZLPZQCJ-UHFFFAOYSA-O -1 0 219.264 1.493 50 0 BDAARM CSc1nsc(SCC(=O)[O-])n1 ZINC000008362700 342798685 /nfs/dbraw/zinc/79/86/85/342798685.db2.gz KJVRLGYTSYPHKO-UHFFFAOYSA-N -1 0 222.316 1.437 50 0 BDAARM Cc1ccc(F)c(NC(=O)NCCC(=O)[O-])c1 ZINC000040559767 538972142 /nfs/dbraw/zinc/97/21/42/538972142.db2.gz FZIPISLIAYYBOR-UHFFFAOYSA-N -1 0 240.234 1.730 50 0 BDAARM O=C([O-])c1cnc(-c2ccccc2)[nH]c1=O ZINC000008729707 342803883 /nfs/dbraw/zinc/80/38/83/342803883.db2.gz HADBIMYTRIMUAO-UHFFFAOYSA-N -1 0 216.196 1.547 50 0 BDAARM C[C@@H](CN1C[C@@H](C(=O)[O-])CC1=O)c1ccccc1 ZINC000008732556 342804121 /nfs/dbraw/zinc/80/41/21/342804121.db2.gz PLFKPSVQQAHHQS-JQWIXIFHSA-N -1 0 247.294 1.723 50 0 BDAARM C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000011976609 342845661 /nfs/dbraw/zinc/84/56/61/342845661.db2.gz DBXAHUCZEXVUKS-ZETCQYMHSA-N -1 0 208.213 1.679 50 0 BDAARM O=C([O-])c1cnn2c1NCC[C@@H]2C(F)(F)F ZINC000012357596 342849819 /nfs/dbraw/zinc/84/98/19/342849819.db2.gz NIAZXMDUIWSZGJ-RXMQYKEDSA-N -1 0 235.165 1.500 50 0 BDAARM Cn1ccc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000012370170 342850368 /nfs/dbraw/zinc/85/03/68/342850368.db2.gz ZIRNSRSOPMSFDK-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM CSc1nn2c(nc(C)cc2C)c1C(=O)[O-] ZINC000012398329 342851355 /nfs/dbraw/zinc/85/13/55/342851355.db2.gz RYXBSXUHUHSOAK-UHFFFAOYSA-N -1 0 237.284 1.766 50 0 BDAARM CC(C)(C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000011890476 342844030 /nfs/dbraw/zinc/84/40/30/342844030.db2.gz UYMYKMRRCXEIRJ-SNVBAGLBSA-N -1 0 235.283 1.975 50 0 BDAARM O=C([O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000011890600 342844057 /nfs/dbraw/zinc/84/40/57/342844057.db2.gz XRKSEEMBEXHDLZ-SNVBAGLBSA-N -1 0 219.240 1.120 50 0 BDAARM Cc1c(C(=O)[O-])cnc2nc(C(F)(F)F)nn21 ZINC000013638997 342869225 /nfs/dbraw/zinc/86/92/25/342869225.db2.gz XMZDVMZVCFFJNA-UHFFFAOYSA-N -1 0 246.148 1.150 50 0 BDAARM C[C@H](NC(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000013691930 342870352 /nfs/dbraw/zinc/87/03/52/342870352.db2.gz ANBJCADBLUSPPW-QMMMGPOBSA-N -1 0 234.255 1.232 50 0 BDAARM COc1cc(CCC(=O)[O-])cc2c1OCO2 ZINC000014951289 342889842 /nfs/dbraw/zinc/88/98/42/342889842.db2.gz FNHAPRFEEAONIG-UHFFFAOYSA-N -1 0 224.212 1.441 50 0 BDAARM O=c1[n-]c(CSCc2ccccc2F)n[nH]1 ZINC000016286098 342908885 /nfs/dbraw/zinc/90/88/85/342908885.db2.gz PQCGHALIVQCDID-UHFFFAOYSA-N -1 0 239.275 1.671 50 0 BDAARM Cc1ccc2c(c1)[C@@H](CC(=O)[O-])C(=O)N2 ZINC000019093622 342941777 /nfs/dbraw/zinc/94/17/77/342941777.db2.gz UUCMKMSXYMSZJV-MRVPVSSYSA-N -1 0 205.213 1.505 50 0 BDAARM O=C([O-])c1ccc(OC[C@@H]2CCCCO2)nc1 ZINC000019274429 342945003 /nfs/dbraw/zinc/94/50/03/342945003.db2.gz MBMHKLWHUFQCAS-JTQLQIEISA-N -1 0 237.255 1.728 50 0 BDAARM CN1c2cc(F)ccc2[C@H](CC(=O)[O-])C1=O ZINC000019737112 342955879 /nfs/dbraw/zinc/95/58/79/342955879.db2.gz IRHQMKCLFAKTJU-QMMMGPOBSA-N -1 0 223.203 1.360 50 0 BDAARM O=C([O-])c1cnc(-c2ccc(F)cc2)[nH]c1=O ZINC000020135969 342971236 /nfs/dbraw/zinc/97/12/36/342971236.db2.gz BQTLNACROYQVRJ-UHFFFAOYSA-N -1 0 234.186 1.274 50 0 BDAARM O=C([O-])c1cn(-c2ccc(Cl)cc2)nn1 ZINC000020216575 342977614 /nfs/dbraw/zinc/97/76/14/342977614.db2.gz OVGSNJOPTZYJNZ-UHFFFAOYSA-N -1 0 223.619 1.619 50 0 BDAARM O=C([O-])c1cc(=O)c(OCc2ccccc2)co1 ZINC000019928448 342963583 /nfs/dbraw/zinc/96/35/83/342963583.db2.gz RGZZNPNSZZJJSH-UHFFFAOYSA-N -1 0 246.218 1.917 50 0 biogenic BDAARM O=C([O-])c1cnc(-c2cccnc2)s1 ZINC000019948581 342964202 /nfs/dbraw/zinc/96/42/02/342964202.db2.gz WYKOXFDRTSNVGV-UHFFFAOYSA-N -1 0 206.226 1.903 50 0 BDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000020284760 342980804 /nfs/dbraw/zinc/98/08/04/342980804.db2.gz HQGGJAWLHZDKLT-SNVBAGLBSA-N -1 0 234.255 1.018 50 0 BDAARM O=C([O-])c1cn2cc(Br)ncc2n1 ZINC000020357946 342983578 /nfs/dbraw/zinc/98/35/78/342983578.db2.gz KEMAWFHELKESRS-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM O=C([O-])c1n[nH]nc1-c1ccc(F)cc1 ZINC000020417343 342984636 /nfs/dbraw/zinc/98/46/36/342984636.db2.gz IBJGRMBEHQUQEX-UHFFFAOYSA-N -1 0 207.164 1.309 50 0 BDAARM Nc1cc(=O)[nH]c(Nc2ccc(F)cc2)n1 ZINC000020478656 342986683 /nfs/dbraw/zinc/98/66/83/342986683.db2.gz MWOBQKUYMOUXRE-UHFFFAOYSA-N -1 0 220.207 1.235 50 0 BDAARM CN(CC(=O)[O-])C(=O)CCc1ccccc1 ZINC000022169967 343043070 /nfs/dbraw/zinc/04/30/70/343043070.db2.gz XXFLCGHQEKLLCQ-UHFFFAOYSA-N -1 0 221.256 1.162 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000022221372 343044830 /nfs/dbraw/zinc/04/48/30/343044830.db2.gz FRLOYHRLDJWDJX-VWYCJHECSA-N -1 0 247.298 1.699 50 0 BDAARM O=C([O-])c1ccc(=O)n(Cc2ccc(F)cc2)n1 ZINC000026420237 343104876 /nfs/dbraw/zinc/10/48/76/343104876.db2.gz INRDWHCKWFIXSK-UHFFFAOYSA-N -1 0 248.213 1.129 50 0 BDAARM O=c1[n-]cnn1-c1ccc(Br)cc1 ZINC000026423765 343104939 /nfs/dbraw/zinc/10/49/39/343104939.db2.gz MYPBFEVHSZDWPP-UHFFFAOYSA-N -1 0 240.060 1.323 50 0 BDAARM O=C([O-])c1cnn2c1N[C@@H](c1ccccc1)C2 ZINC000028704359 343130700 /nfs/dbraw/zinc/13/07/00/343130700.db2.gz YFVJSSZHIKYSEF-SNVBAGLBSA-N -1 0 229.239 1.748 50 0 BDAARM O=C([O-])c1cnn2c1N[C@H](c1ccccc1)C2 ZINC000028704357 343130773 /nfs/dbraw/zinc/13/07/73/343130773.db2.gz YFVJSSZHIKYSEF-JTQLQIEISA-N -1 0 229.239 1.748 50 0 BDAARM CCCc1nc(N2CCCC2)ncc1C(=O)[O-] ZINC000043558158 343143869 /nfs/dbraw/zinc/14/38/69/343143869.db2.gz DFQPXRWGYAEZCQ-UHFFFAOYSA-N -1 0 235.287 1.728 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000032013569 343228290 /nfs/dbraw/zinc/22/82/90/343228290.db2.gz UAAGUSBYBOKQCT-DTWKUNHWSA-N -1 0 220.224 1.646 50 0 BDAARM CC(C)[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000036533501 167399764 /nfs/dbraw/zinc/39/97/64/167399764.db2.gz IGJIQZVMCRTQQX-MRVPVSSYSA-N -1 0 231.292 1.868 50 0 BDAARM O=[S@@]([O-])c1c(F)c(F)c(F)c(F)c1F ZINC000034451750 343271252 /nfs/dbraw/zinc/27/12/52/343271252.db2.gz WXTAHNGYXUGGTE-UHFFFAOYSA-N -1 0 232.129 1.963 50 0 BDAARM O=C([O-])c1cccc(NC(=O)CCCCO)c1 ZINC000034925090 343280379 /nfs/dbraw/zinc/28/03/79/343280379.db2.gz DJBGKIXPSOSKBR-UHFFFAOYSA-N -1 0 237.255 1.486 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCc3ccccc32)C1 ZINC000036878590 343326349 /nfs/dbraw/zinc/32/63/49/343326349.db2.gz DBSIFUPIEIQHLR-ZYHUDNBSSA-N -1 0 245.278 1.607 50 0 BDAARM O=C([O-])c1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000038478126 343375427 /nfs/dbraw/zinc/37/54/27/343375427.db2.gz VJEBXHBTKLPUQG-UHFFFAOYSA-N -1 0 222.175 1.003 50 0 BDAARM O=C([O-])c1cnc(C(F)(F)F)nc1Cl ZINC000038540934 343376975 /nfs/dbraw/zinc/37/69/75/343376975.db2.gz GMZOIVPQSFJUDK-UHFFFAOYSA-N -1 0 226.541 1.847 50 0 BDAARM CC(C)(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037472007 343346240 /nfs/dbraw/zinc/34/62/40/343346240.db2.gz WJUJJESNLJSMRL-UHFFFAOYSA-N -1 0 227.304 1.792 50 0 BDAARM O=C([O-])c1cc(N2CCNC2=O)c(F)cc1F ZINC000037592354 343348787 /nfs/dbraw/zinc/34/87/87/343348787.db2.gz CAJCWBYKSVAUQC-UHFFFAOYSA-N -1 0 242.181 1.193 50 0 BDAARM COc1c(C(=O)[O-])cnc2ccccc21 ZINC000041718667 343423167 /nfs/dbraw/zinc/42/31/67/343423167.db2.gz OHBRTJHNLZMLEC-UHFFFAOYSA-N -1 0 203.197 1.942 50 0 BDAARM Cc1conc1NC(=O)[C@H](C)C(F)(F)F ZINC000335698190 136327997 /nfs/dbraw/zinc/32/79/97/136327997.db2.gz JSLJRCPGSCVWIE-YFKPBYRVSA-N -1 0 222.166 1.542 50 0 BDAARM O=C([O-])[C@H](Cc1ccccc1)N1CCCOC1=O ZINC000041158340 343416340 /nfs/dbraw/zinc/41/63/40/343416340.db2.gz PNDJDMGOGUXENJ-NSHDSACASA-N -1 0 249.266 1.525 50 0 BDAARM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC000042694808 343448441 /nfs/dbraw/zinc/44/84/41/343448441.db2.gz CRADIPLTWJTMTH-ZETCQYMHSA-N -1 0 217.265 1.574 50 0 BDAARM O=C([O-])c1ccc(=O)n(-c2ccc(F)cc2)c1 ZINC000043671764 343480539 /nfs/dbraw/zinc/48/05/39/343480539.db2.gz WYHVPAFGLHOYDD-UHFFFAOYSA-N -1 0 233.198 1.675 50 0 BDAARM COC1CC(NC(=O)OC(C)(C)C)(C(=O)[O-])C1 ZINC000234653975 343627245 /nfs/dbraw/zinc/62/72/45/343627245.db2.gz DUZSBLQOTMZVAN-UHFFFAOYSA-N -1 0 245.275 1.143 50 0 BDAARM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000054302378 343657725 /nfs/dbraw/zinc/65/77/25/343657725.db2.gz UZOMUKSOSWQWPO-JTQLQIEISA-N -1 0 242.319 1.539 50 0 BDAARM O=C([O-])c1cc(F)c(N2CCOCC2)c(F)c1 ZINC000062721090 343744815 /nfs/dbraw/zinc/74/48/15/343744815.db2.gz NIZVJSWDUKQOJO-UHFFFAOYSA-N -1 0 243.209 1.500 50 0 BDAARM CC(C)(C)OC(=O)c1cc(C(=O)[O-])on1 ZINC000215556284 344380227 /nfs/dbraw/zinc/38/02/27/344380227.db2.gz LQKSBDDJUVFLDA-UHFFFAOYSA-N -1 0 213.189 1.328 50 0 BDAARM C/C=C(\C)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000381155676 344480727 /nfs/dbraw/zinc/48/07/27/344480727.db2.gz QAEXLQGGWCDCGB-CYNRKNSPSA-N -1 0 227.304 1.816 50 0 BDAARM Cc1ccc(F)c(C(=O)NC2(C(=O)[O-])CC2)c1 ZINC000203658754 178669769 /nfs/dbraw/zinc/66/97/69/178669769.db2.gz XFYGRQQBIJNJAS-UHFFFAOYSA-N -1 0 237.230 1.481 50 0 BDAARM O=C([O-])CCc1cn(Cc2ccccc2)nn1 ZINC000072159701 344501067 /nfs/dbraw/zinc/50/10/67/344501067.db2.gz UBXXNKGTZIZHBO-UHFFFAOYSA-N -1 0 231.255 1.344 50 0 BDAARM O=C([O-])c1ccc([C@H]2CCC(=O)N2)cc1 ZINC000238652806 344762547 /nfs/dbraw/zinc/76/25/47/344762547.db2.gz LAFPNIUVRIVWTD-SECBINFHSA-N -1 0 205.213 1.336 50 0 BDAARM O=C([O-])c1cnc(-c2ccc(F)cc2)nc1 ZINC000008731030 344842662 /nfs/dbraw/zinc/84/26/62/344842662.db2.gz KVOLJYNCWUOVPC-UHFFFAOYSA-N -1 0 218.187 1.981 50 0 BDAARM CC(C)c1nnc2n1NC(CC(=O)[O-])=CS2 ZINC000011729730 344984110 /nfs/dbraw/zinc/98/41/10/344984110.db2.gz GIUWQAIKVXTTRN-UHFFFAOYSA-N -1 0 240.288 1.186 50 0 BDAARM C[C@H]1[C@@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000238520272 345067146 /nfs/dbraw/zinc/06/71/46/345067146.db2.gz GLXXUWWAQCAPNM-BQBZGAKWSA-N -1 0 215.249 1.326 50 0 BDAARM CCCCN(CCCC)C(=O)c1cc(=O)[nH][n-]1 ZINC000170223761 345535217 /nfs/dbraw/zinc/53/52/17/345535217.db2.gz PNRXNQHBKQVSOX-UHFFFAOYSA-N -1 0 239.319 1.745 50 0 BDAARM O=C(Nc1cc(F)ccc1O)c1cn[nH]c1 ZINC000174895231 345896439 /nfs/dbraw/zinc/89/64/39/345896439.db2.gz SIBWMJBQCLCCCG-UHFFFAOYSA-N -1 0 221.191 1.507 50 0 BDAARM Cc1cccc(C(=O)N[C@H](C)C(=O)[O-])c1F ZINC000164424891 179023369 /nfs/dbraw/zinc/02/33/69/179023369.db2.gz YCQDAQACUIOEKQ-SSDOTTSWSA-N -1 0 225.219 1.337 50 0 BDAARM CN1C(=O)CC[C@]1(C(=O)[O-])c1ccccc1 ZINC000000178395 346402194 /nfs/dbraw/zinc/40/21/94/346402194.db2.gz MKKMTGHNCAJXTA-GFCCVEGCSA-N -1 0 219.240 1.219 50 0 BDAARM CC1(C)S[C@H](c2ccncc2)N[C@H]1C(=O)[O-] ZINC000005304325 346614786 /nfs/dbraw/zinc/61/47/86/346614786.db2.gz CULRMXDEHPITBT-DTWKUNHWSA-N -1 0 238.312 1.648 50 0 BDAARM Cc1cccc2c(C(=O)[O-])cc(=O)[nH]c12 ZINC000005446430 179209644 /nfs/dbraw/zinc/20/96/44/179209644.db2.gz BXJOSYYURXIQTJ-UHFFFAOYSA-N -1 0 203.197 1.535 50 0 BDAARM Cc1ccccc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000011890695 179247313 /nfs/dbraw/zinc/24/73/13/179247313.db2.gz XDXPQZCLBZNWBV-NSHDSACASA-N -1 0 233.267 1.684 50 0 BDAARM Cc1ccccc1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000097009369 179252429 /nfs/dbraw/zinc/25/24/29/179252429.db2.gz ACDCIGNJWLEXTH-QWRGUYRKSA-N -1 0 247.294 1.978 50 0 BDAARM Cc1ccccc1[C@@H]1CN(CC(=O)[O-])[C@H](C)CO1 ZINC000266531525 179330131 /nfs/dbraw/zinc/33/01/31/179330131.db2.gz MFDZMLKUMXJPBO-YPMHNXCESA-N -1 0 249.310 1.841 50 0 BDAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCC(=O)[O-] ZINC000237682962 179350237 /nfs/dbraw/zinc/35/02/37/179350237.db2.gz TZLIGMOMYQKHHF-VXGBXAGGSA-N -1 0 247.294 1.689 50 0 BDAARM COc1cccc(-c2nnc(C(=O)[O-])s2)c1 ZINC000075091453 348777278 /nfs/dbraw/zinc/77/72/78/348777278.db2.gz FYHMYXCYQSMTOR-UHFFFAOYSA-N -1 0 236.252 1.912 50 0 BDAARM COc1ccc(Cl)c(C(=O)[O-])c1N ZINC000037395765 190987724 /nfs/dbraw/zinc/98/77/24/190987724.db2.gz PYXKVCKQZJCFTF-UHFFFAOYSA-N -1 0 201.609 1.629 50 0 BDAARM CNC(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000082730683 490300198 /nfs/dbraw/zinc/30/01/98/490300198.db2.gz DPBKEHKMLPTJFE-DAXSKMNVSA-N -1 0 205.213 1.144 50 0 BDAARM Cc1nc2ccccc2n1C(=O)CCC(=O)[O-] ZINC000169701571 180101185 /nfs/dbraw/zinc/10/11/85/180101185.db2.gz XEFBNMOTENHCRG-UHFFFAOYSA-N -1 0 232.239 1.850 50 0 BDAARM Cc1nc2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000004992666 180102711 /nfs/dbraw/zinc/10/27/11/180102711.db2.gz MZCOUPNAPANBEY-ZETCQYMHSA-N -1 0 204.229 1.990 50 0 BDAARM O=C([O-])C1(NC(=O)Nc2ccccc2)CC1 ZINC000003163616 350185786 /nfs/dbraw/zinc/18/57/86/350185786.db2.gz KASHWSVEEFASJO-UHFFFAOYSA-N -1 0 220.228 1.425 50 0 BDAARM O=Cc1ccc(-c2ccc(C(=O)[O-])o2)cn1 ZINC000725261231 538085985 /nfs/dbraw/zinc/08/59/85/538085985.db2.gz XWACBEVRIWUTHH-UHFFFAOYSA-N -1 0 217.180 1.852 50 0 BDAARM Cc1ncn(-c2ccc(C(=O)[O-])cn2)c1C ZINC000051926215 180285123 /nfs/dbraw/zinc/28/51/23/180285123.db2.gz TYRSBAMGTCSGIT-UHFFFAOYSA-N -1 0 217.228 1.582 50 0 BDAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)[O-] ZINC000004218642 180328095 /nfs/dbraw/zinc/32/80/95/180328095.db2.gz SDHVYDRRHVZGNT-UHFFFAOYSA-N -1 0 244.250 1.756 50 0 BDAARM Cc1nn([C@H](C)C(=O)[O-])c(C)c1Br ZINC000002537596 180393468 /nfs/dbraw/zinc/39/34/68/180393468.db2.gz PQWOGJIMXLPNMR-ZCFIWIBFSA-N -1 0 247.092 1.908 50 0 BDAARM Cc1nnc(-c2ccc(C(=O)[O-])c(N)c2)o1 ZINC000014988512 180394492 /nfs/dbraw/zinc/39/44/92/180394492.db2.gz CAVNAUBJIPAZTL-UHFFFAOYSA-N -1 0 219.200 1.325 50 0 BDAARM Cc1nn(CC(=O)[O-])c2c1[C@@H]1[C@H](C2)C1(C)C ZINC000000195108 180386837 /nfs/dbraw/zinc/38/68/37/180386837.db2.gz RVIRSEHMYVUREV-CPCISQLKSA-N -1 0 220.272 1.572 50 0 BDAARM COC(=O)C1=C([O-])c2cc(F)ccc2OC1 ZINC000041243850 350600770 /nfs/dbraw/zinc/60/07/70/350600770.db2.gz SKBDPOSFENKSCN-MRVPVSSYSA-N -1 0 224.187 1.190 50 0 BDAARM CC(C)[C@H]1CCC(=O)C[C@H]1OCC(=O)[O-] ZINC000004532399 191119159 /nfs/dbraw/zinc/11/91/59/191119159.db2.gz PPPCNBYRWDHKNV-NXEZZACHSA-N -1 0 214.261 1.481 50 0 BDAARM Nc1nc(Cl)nc2nc(Cl)[nH]c21 ZINC000005783712 350779511 /nfs/dbraw/zinc/77/95/11/350779511.db2.gz KTWHRTDJQIMWMY-UHFFFAOYSA-N -1 0 204.020 1.242 50 0 BDAARM Cc1sc(-c2cnccn2)nc1CC(=O)[O-] ZINC000012340490 180556097 /nfs/dbraw/zinc/55/60/97/180556097.db2.gz LDMWVSWWOLQZDY-UHFFFAOYSA-N -1 0 235.268 1.536 50 0 BDAARM O=C([O-])c1ccn(-c2ccc(F)c(F)c2)n1 ZINC000034957533 351363220 /nfs/dbraw/zinc/36/32/20/351363220.db2.gz KCDDCLQAGDVJID-UHFFFAOYSA-N -1 0 224.166 1.849 50 0 BDAARM Cn1cc(C(=O)c2ccccc2[O-])cn1 ZINC000039105136 180635352 /nfs/dbraw/zinc/63/53/52/180635352.db2.gz QEYFCVFWJKQFEP-UHFFFAOYSA-N -1 0 202.213 1.357 50 0 BDAARM Cn1cc(C(=O)[O-])c2c1ncnc2Cl ZINC000033359290 180635573 /nfs/dbraw/zinc/63/55/73/180635573.db2.gz SBCXKVHEWPXSRT-UHFFFAOYSA-N -1 0 211.608 1.320 50 0 BDAARM [NH3+][C@H](CCCCCCCCCC(=O)[O-])C(=O)[O-] ZINC000002106543 363151460 /nfs/dbraw/zinc/15/14/60/363151460.db2.gz QKSAWGVCRKODEH-SNVBAGLBSA-N -1 0 245.319 1.994 50 0 biogenic BDAARM Nc1cc(CC(=O)[O-])ccc1Br ZINC000004203227 352594765 /nfs/dbraw/zinc/59/47/65/352594765.db2.gz ZXILEAOKEWUNEJ-UHFFFAOYSA-N -1 0 230.061 1.658 50 0 BDAARM Cc1nc(Br)sc1C(=O)[O-] ZINC000000161954 187755501 /nfs/dbraw/zinc/75/55/01/187755501.db2.gz HMSQZHBSTZZNGI-UHFFFAOYSA-N -1 0 222.063 1.912 50 0 BDAARM CCc1ccccc1NC(=O)/C=C/C(=O)[O-] ZINC000000115802 187755580 /nfs/dbraw/zinc/75/55/80/187755580.db2.gz HWJURJPNHHFMHJ-BQYQJAHWSA-N -1 0 219.240 1.828 50 0 BDAARM O=C([O-])c1nc(-c2ccccc2F)no1 ZINC000013693685 187760925 /nfs/dbraw/zinc/76/09/25/187760925.db2.gz JJHUTISCONIKNH-UHFFFAOYSA-N -1 0 208.148 1.574 50 0 BDAARM Cc1nc2c(Br)c[n-]n2c(=O)c1C ZINC000100191018 187872482 /nfs/dbraw/zinc/87/24/82/187872482.db2.gz UFEZWQSYOMDQQX-UHFFFAOYSA-N -1 0 242.076 1.402 50 0 BDAARM Cn1nc(C(F)(F)F)cc1CC(=O)[O-] ZINC000072209699 180803320 /nfs/dbraw/zinc/80/33/20/180803320.db2.gz BGGSLYWGXKBFSE-UHFFFAOYSA-N -1 0 208.139 1.066 50 0 BDAARM Cn1nccc1-c1cccc(C(=O)[O-])c1 ZINC000012370649 180829128 /nfs/dbraw/zinc/82/91/28/180829128.db2.gz OBOMYSVFLSMYLV-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM C[C@@H](CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002389774 353405771 /nfs/dbraw/zinc/40/57/71/353405771.db2.gz YDSJUQJHDFBDSZ-VIFPVBQESA-N -1 0 237.255 1.634 50 0 BDAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccn1 ZINC000004678271 188457617 /nfs/dbraw/zinc/45/76/17/188457617.db2.gz BMEOFXPRTHBINN-UHFFFAOYSA-N -1 0 236.271 1.911 50 0 BDAARM CC(=O)N[C@@H](Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000000128331 188452796 /nfs/dbraw/zinc/45/27/96/188452796.db2.gz GVNSHLZYIVHHJW-LBPRGKRZSA-N -1 0 235.283 1.435 50 0 BDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000071279210 188488242 /nfs/dbraw/zinc/48/82/42/188488242.db2.gz DBOVTCCKCJYOHX-ZJUUUORDSA-N -1 0 249.266 1.688 50 0 BDAARM COc1ccc(Cn2nc(C)cc2C(=O)[O-])cc1 ZINC000044672144 188480588 /nfs/dbraw/zinc/48/05/88/188480588.db2.gz TXSBHLDTHSOCBB-UHFFFAOYSA-N -1 0 246.266 1.947 50 0 BDAARM Cn1c(CCCC(=O)[O-])cc2ccccc2c1=O ZINC000000399107 363293034 /nfs/dbraw/zinc/29/30/34/363293034.db2.gz HBGCQDKHXFOLPK-UHFFFAOYSA-N -1 0 245.278 1.946 50 0 BDAARM COc1ccc(O)c(C(=O)CCC(=O)[O-])c1 ZINC000001617872 188585598 /nfs/dbraw/zinc/58/55/98/188585598.db2.gz LKCLKCOWTYSINF-UHFFFAOYSA-N -1 0 224.212 1.448 50 0 BDAARM O=C([O-])C1(NC(=O)CCc2ccncc2)CCC1 ZINC000135992584 355949172 /nfs/dbraw/zinc/94/91/72/355949172.db2.gz TXXMMPZDIKUBCJ-UHFFFAOYSA-N -1 0 248.282 1.138 50 0 BDAARM O=C([O-])c1ccc(C(=O)NCC2CCC2)s1 ZINC000035232990 356422929 /nfs/dbraw/zinc/42/29/29/356422929.db2.gz XDWRLFARTGSKSO-UHFFFAOYSA-N -1 0 239.296 1.976 50 0 BDAARM CCOC(=O)c1[n-]c(CC)nc1C(C)=O ZINC000238296182 363485599 /nfs/dbraw/zinc/48/55/99/363485599.db2.gz XXKGJJIPJXFBBU-UHFFFAOYSA-N -1 0 210.233 1.351 50 0 BDAARM O=C1CCCc2cc([S@](=O)[O-])ccc2N1 ZINC000675060797 538486945 /nfs/dbraw/zinc/48/69/45/538486945.db2.gz JFCPFFYSZCYZGP-UHFFFAOYSA-N -1 0 225.269 1.542 50 0 BDAARM CNc1cccc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675069622 538499509 /nfs/dbraw/zinc/49/95/09/538499509.db2.gz JLBXFWUGWYQVEE-UHFFFAOYSA-N -1 0 229.239 1.884 50 0 BDAARM O=Cc1cc(-c2cnc(C(=O)[O-])nc2)cs1 ZINC000675070192 538500068 /nfs/dbraw/zinc/50/00/68/538500068.db2.gz RBYANPKFPPRRLZ-UHFFFAOYSA-N -1 0 234.236 1.716 50 0 BDAARM O=C([O-])c1ncc(-c2cccc(O)c2)cn1 ZINC000221664371 538567090 /nfs/dbraw/zinc/56/70/90/538567090.db2.gz SOWMAQKLHUZGAA-UHFFFAOYSA-N -1 0 216.196 1.547 50 0 BDAARM O=C([O-])c1cc(Br)cc(O)c1F ZINC000261494161 491106880 /nfs/dbraw/zinc/10/68/80/491106880.db2.gz RHANSFOBTGNDQC-UHFFFAOYSA-N -1 0 235.008 1.992 50 0 BDAARM O=C([O-])c1cc(-c2ccco2)nc2ccnn21 ZINC000020605058 357340776 /nfs/dbraw/zinc/34/07/76/357340776.db2.gz HZEZJZUERGODAR-UHFFFAOYSA-N -1 0 229.195 1.688 50 0 BDAARM CO[C@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000169148242 134249317 /nfs/dbraw/zinc/24/93/17/134249317.db2.gz XDIBQTRCMLFYDR-NXEZZACHSA-N -1 0 243.303 1.125 50 0 BDAARM CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000012647887 219811835 /nfs/dbraw/zinc/81/18/35/219811835.db2.gz JBAVOCOOEULXTJ-JTQLQIEISA-N -1 0 241.674 1.992 50 0 BDAARM O=C([O-])c1cccc(C(=O)NC2CCCC2)n1 ZINC000036756675 361394721 /nfs/dbraw/zinc/39/47/21/361394721.db2.gz AZBJMPKADFEXFQ-UHFFFAOYSA-N -1 0 234.255 1.452 50 0 BDAARM CCc1ccc(CCC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000036966213 361585483 /nfs/dbraw/zinc/58/54/83/361585483.db2.gz BLEBBBKCYATJOW-JTQLQIEISA-N -1 0 249.310 1.771 50 0 BDAARM CCCCO[C@@H](C)C(=O)N(CCC)CC(=O)[O-] ZINC000170671693 363999706 /nfs/dbraw/zinc/99/97/06/363999706.db2.gz KDOOEWVZNFWQFQ-JTQLQIEISA-N -1 0 245.319 1.515 50 0 BDAARM Cn1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cn1 ZINC000037400942 364001001 /nfs/dbraw/zinc/00/10/01/364001001.db2.gz NYHWSMLJQIFFIY-UHFFFAOYSA-N -1 0 242.238 1.662 50 0 BDAARM CCC[C@H](OCC)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000630172256 364004425 /nfs/dbraw/zinc/00/44/25/364004425.db2.gz CDMUKNNIKBDUMX-ZJUUUORDSA-N -1 0 243.303 1.267 50 0 BDAARM CC[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000082019702 259533670 /nfs/dbraw/zinc/53/36/70/259533670.db2.gz QUJJZDFGKLKCJR-RDDDGLTNSA-N -1 0 229.276 1.764 50 0 BDAARM CC(C)(CO)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000054701377 541515817 /nfs/dbraw/zinc/51/58/17/541515817.db2.gz DFMFDVVELHYTFS-UHFFFAOYSA-N -1 0 234.255 1.531 50 0 BDAARM Nc1cc(=O)[n-]n1-c1ccc(C(F)(F)F)cn1 ZINC000040907093 181676350 /nfs/dbraw/zinc/67/63/50/181676350.db2.gz SYIUYMZYWMFWBA-UHFFFAOYSA-N -1 0 244.176 1.162 50 0 BDAARM Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000003888837 181691743 /nfs/dbraw/zinc/69/17/43/181691743.db2.gz QOVNJNQSODQCPG-UHFFFAOYSA-N -1 0 209.201 1.128 50 0 BDAARM Cc1ccc2c(c1)NC(=O)[C@]([O-])(C(F)(F)F)O2 ZINC000002479697 371556411 /nfs/dbraw/zinc/55/64/11/371556411.db2.gz QZHWAXGLXJUSHJ-SECBINFHSA-N -1 0 247.172 1.577 50 0 BDAARM CCCn1nc(CNc2ccccc2)[n-]c1=O ZINC000040287346 373161605 /nfs/dbraw/zinc/16/16/05/373161605.db2.gz VNNVAUZNQQGEOM-UHFFFAOYSA-N -1 0 232.287 1.594 50 0 BDAARM O=C([O-])[C@H]1O[C@@H]1c1ccccc1Br ZINC000067801483 205471478 /nfs/dbraw/zinc/47/14/78/205471478.db2.gz MPYXZBLIAUVRGB-SFYZADRCSA-N -1 0 243.056 1.974 50 0 BDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000095961786 182310045 /nfs/dbraw/zinc/31/00/45/182310045.db2.gz QOSLBJKYOWQZLE-WCBMZHEXSA-N -1 0 234.255 1.065 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccco2)C1 ZINC000085006805 182338211 /nfs/dbraw/zinc/33/82/11/182338211.db2.gz LVABXIFXTDAADH-SFYZADRCSA-N -1 0 223.228 1.263 50 0 BDAARM O=C([O-])c1cccc(NC(=O)NC2CC2)c1 ZINC000032500449 182366335 /nfs/dbraw/zinc/36/63/35/182366335.db2.gz GSWYSHNMCULROB-UHFFFAOYSA-N -1 0 220.228 1.669 50 0 BDAARM O=C([O-])CCC(=O)NCc1cccs1 ZINC000008020993 182433080 /nfs/dbraw/zinc/43/30/80/182433080.db2.gz VAKOIYUDXVCKOV-UHFFFAOYSA-N -1 0 213.258 1.229 50 0 BDAARM O=C([O-])CCN1Cc2ccc(F)cc2C1=O ZINC000040449806 182444107 /nfs/dbraw/zinc/44/41/07/182444107.db2.gz KHFRWQUDKMMYCA-UHFFFAOYSA-N -1 0 223.203 1.256 50 0 BDAARM O=C([O-])CCn1c(=O)[nH]nc1C1CCCCC1 ZINC000065397933 182457604 /nfs/dbraw/zinc/45/76/04/182457604.db2.gz MFKLCDCPXVCQOL-UHFFFAOYSA-N -1 0 239.275 1.094 50 0 BDAARM O=C([O-])CCn1nc(-c2ccccc2)ccc1=O ZINC000002529419 182457826 /nfs/dbraw/zinc/45/78/26/182457826.db2.gz NZUXPNSGLKNCQR-UHFFFAOYSA-N -1 0 244.250 1.385 50 0 BDAARM O=C([O-])CN1CCCc2sccc2C1=O ZINC000058038024 182461965 /nfs/dbraw/zinc/46/19/65/182461965.db2.gz XVNIHLWEQXHXPC-UHFFFAOYSA-N -1 0 225.269 1.221 50 0 BDAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000042144177 182480127 /nfs/dbraw/zinc/48/01/27/182480127.db2.gz UCCFPNVTLCFNCA-NSHDSACASA-N -1 0 233.267 1.766 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccccc1 ZINC000040162862 182507018 /nfs/dbraw/zinc/50/70/18/182507018.db2.gz DFDYQFDORBLAGV-YPMHNXCESA-N -1 0 245.278 1.823 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc[nH]n1 ZINC000013961035 182507260 /nfs/dbraw/zinc/50/72/60/182507260.db2.gz JQHJVZCWANCGBW-HTQZYQBOSA-N -1 0 235.243 1.015 50 0 BDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccnc1 ZINC000000317339 182507494 /nfs/dbraw/zinc/50/74/94/182507494.db2.gz LXJRXEHUFVTCHA-GHMZBOCLSA-N -1 0 246.266 1.687 50 0 BDAARM O=C([O-])[C@@H](O)c1c(O)ccc2ccccc21 ZINC000003884042 182503948 /nfs/dbraw/zinc/50/39/48/182503948.db2.gz KIJIBKVYISSOOB-NSHDSACASA-N -1 0 218.208 1.663 50 0 BDAARM O=C([O-])[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000004027306 182518910 /nfs/dbraw/zinc/51/89/10/182518910.db2.gz IXPPKDOOVXQPGI-WCBMZHEXSA-N -1 0 235.264 1.341 50 0 BDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1Cc2ccccc2C1 ZINC000050911341 182521806 /nfs/dbraw/zinc/52/18/06/182521806.db2.gz FECVBULPMRJBKV-GHMZBOCLSA-N -1 0 231.251 1.250 50 0 BDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccn1 ZINC000000398304 182532230 /nfs/dbraw/zinc/53/22/30/182532230.db2.gz NAAOFYSESODFQG-UWVGGRQHSA-N -1 0 246.266 1.687 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000022141495 182534588 /nfs/dbraw/zinc/53/45/88/182534588.db2.gz ILXKGLCCUHZDCG-QMMMGPOBSA-N -1 0 239.296 1.685 50 0 BDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000019686096 182538309 /nfs/dbraw/zinc/53/83/09/182538309.db2.gz GCFZAZFRGJPWMV-JTQLQIEISA-N -1 0 219.240 1.233 50 0 BDAARM O=C([O-])c1cc(-c2ccc3c(c2)CCO3)[nH]n1 ZINC000076054839 182550688 /nfs/dbraw/zinc/55/06/88/182550688.db2.gz GYFIJYCMAQEVEK-UHFFFAOYSA-N -1 0 230.223 1.710 50 0 BDAARM O=C([O-])c1cc(=O)c2ccc(F)cc2o1 ZINC000034319925 182551923 /nfs/dbraw/zinc/55/19/23/182551923.db2.gz NOSMZQCJSBUIMM-UHFFFAOYSA-N -1 0 208.144 1.630 50 0 BDAARM O=C([O-])c1cc(Br)c2nncn2c1 ZINC000040448960 182552118 /nfs/dbraw/zinc/55/21/18/182552118.db2.gz HDEOWHVZVQHAPO-UHFFFAOYSA-N -1 0 242.032 1.190 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000004105011 182545602 /nfs/dbraw/zinc/54/56/02/182545602.db2.gz FDIYXAWZVLZPIH-IUCAKERBSA-N -1 0 241.193 1.624 50 0 BDAARM O=C([O-])[C@H]1C[C@@H]1COCc1ccccc1 ZINC000098181758 182545835 /nfs/dbraw/zinc/54/58/35/182545835.db2.gz FYOFPRGAVPMDRY-MNOVXSKESA-N -1 0 206.241 1.924 50 0 BDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCOC2)cc1 ZINC000040929346 182566384 /nfs/dbraw/zinc/56/63/84/182566384.db2.gz NNOCFCADLVLMFI-NSHDSACASA-N -1 0 249.266 1.038 50 0 BDAARM O=C([O-])c1cccc(OC2CCOCC2)n1 ZINC000034936258 182578957 /nfs/dbraw/zinc/57/89/57/182578957.db2.gz UEWVONKWINVFRW-UHFFFAOYSA-N -1 0 223.228 1.338 50 0 BDAARM CCCCC1C(=O)N=C(SC)N=C1[O-] ZINC000008648788 169018364 /nfs/dbraw/zinc/01/83/64/169018364.db2.gz PZDBCHPQACENCW-UHFFFAOYSA-N -1 0 214.290 1.952 50 0 BDAARM CCCOc1ccc([C@@H](O)C(=O)[O-])cc1 ZINC000012336601 169321835 /nfs/dbraw/zinc/32/18/35/169321835.db2.gz UBHMYNPCDNGWBM-SNVBAGLBSA-N -1 0 210.229 1.593 50 0 BDAARM CCC[C@H](C)C(=O)N[C@H](C)CC(=O)[O-] ZINC000037457917 169472964 /nfs/dbraw/zinc/47/29/64/169472964.db2.gz SPNJJVNKEQUYTK-JGVFFNPUSA-N -1 0 201.266 1.402 50 0 BDAARM CCC[C@H](CC(=O)[O-])NC(=O)[C@@H](C)CC ZINC000097022273 169496098 /nfs/dbraw/zinc/49/60/98/169496098.db2.gz FRWYLLBYNMMSFW-DTWKUNHWSA-N -1 0 215.293 1.792 50 0 BDAARM Cc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000033113 383819066 /nfs/dbraw/zinc/81/90/66/383819066.db2.gz CPCXLCCZESBBBZ-UHFFFAOYSA-N -1 0 249.295 1.586 50 0 BDAARM Nc1ncc(C(F)(F)F)cc1C(=O)[O-] ZINC000066054361 383844722 /nfs/dbraw/zinc/84/47/22/383844722.db2.gz KTYDRFWLNANPIH-UHFFFAOYSA-N -1 0 206.123 1.381 50 0 BDAARM O=C([O-])c1ccc(Cn2cc(Cl)cn2)o1 ZINC000000244434 383848109 /nfs/dbraw/zinc/84/81/09/383848109.db2.gz FTDBLLSABPDLMJ-UHFFFAOYSA-N -1 0 226.619 1.876 50 0 BDAARM O=C([O-])CCCn1c(=O)oc2ccccc21 ZINC000000374838 383859620 /nfs/dbraw/zinc/85/96/20/383859620.db2.gz SRSAVCBMZKGUNE-UHFFFAOYSA-N -1 0 221.212 1.459 50 0 biogenic BDAARM O=C([O-])CN1C(=O)OC[C@@H]1c1ccccc1 ZINC000000395520 383864211 /nfs/dbraw/zinc/86/42/11/383864211.db2.gz PUKMRNJLFMISMT-SECBINFHSA-N -1 0 221.212 1.265 50 0 BDAARM O=C([O-])CCCC(=O)Nc1ccccc1 ZINC000000397908 383864392 /nfs/dbraw/zinc/86/43/92/383864392.db2.gz NUDGFGBJFZEEEJ-UHFFFAOYSA-N -1 0 207.229 1.880 50 0 BDAARM C[C@@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000000114833 383829023 /nfs/dbraw/zinc/82/90/23/383829023.db2.gz SFHWUYGTNAGDHT-ZCFIWIBFSA-N -1 0 227.647 1.543 50 0 BDAARM CCc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000002870472 383990217 /nfs/dbraw/zinc/99/02/17/383990217.db2.gz YLEUWWPOJSSBGF-GFCCVEGCSA-N -1 0 247.294 1.682 50 0 BDAARM O=C([O-])CNC(=O)/C=C/c1ccc(F)cc1 ZINC000003061113 383995510 /nfs/dbraw/zinc/99/55/10/383995510.db2.gz SVIBVNWJFIIANJ-ZZXKWVIFSA-N -1 0 223.203 1.040 50 0 BDAARM O=C(c1ccc[nH]1)c1c([O-])cccc1O ZINC000071773886 384000117 /nfs/dbraw/zinc/00/01/17/384000117.db2.gz AHAUQCJBMMUQMB-UHFFFAOYSA-N -1 0 203.197 1.657 50 0 BDAARM O=C([O-])[C@@H]1O[C@@H]1c1cccc(Br)c1 ZINC000067801487 383947940 /nfs/dbraw/zinc/94/79/40/383947940.db2.gz SHWHXBLSGCUWEC-HTQZYQBOSA-N -1 0 243.056 1.974 50 0 BDAARM CCCc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC000050215607 383968944 /nfs/dbraw/zinc/96/89/44/383968944.db2.gz CQXZDFVIKIFOBE-UHFFFAOYSA-N -1 0 245.282 1.977 50 0 BDAARM O=C([O-])CSCn1cc(Cl)cn1 ZINC000002537825 383974205 /nfs/dbraw/zinc/97/42/05/383974205.db2.gz WVPMBDYFHLUBJQ-UHFFFAOYSA-N -1 0 206.654 1.312 50 0 BDAARM O=C([O-])CCC(=O)N1CCc2ccccc2C1 ZINC000003634359 384019960 /nfs/dbraw/zinc/01/99/60/384019960.db2.gz CFMQMUKMSANQMT-UHFFFAOYSA-N -1 0 233.267 1.436 50 0 BDAARM O=C([O-])COc1cccc(N2CCCC2=O)c1 ZINC000004218565 384046990 /nfs/dbraw/zinc/04/69/90/384046990.db2.gz HMGZHMDHVIKYOC-UHFFFAOYSA-N -1 0 235.239 1.277 50 0 BDAARM O=C([O-])CNc1ncnc2sc3c(c21)CCC3 ZINC000004129584 384041829 /nfs/dbraw/zinc/04/18/29/384041829.db2.gz IYEXPANOSXUHMB-UHFFFAOYSA-N -1 0 249.295 1.677 50 0 BDAARM C/C(=C\C(=O)[O-])C(=O)Nc1nccs1 ZINC000004471906 384061405 /nfs/dbraw/zinc/06/14/05/384061405.db2.gz NIDVXKGVPOVHGT-SNAWJCMRSA-N -1 0 212.230 1.113 50 0 BDAARM O=C([O-])C[C@@H]1Oc2ccc(Cl)cc2NC1=O ZINC000005137608 384101297 /nfs/dbraw/zinc/10/12/97/384101297.db2.gz MOZBBVBSBDWULD-QMMMGPOBSA-N -1 0 241.630 1.514 50 0 BDAARM Cn1nc(C(=O)[O-])cc1-c1cccs1 ZINC000005177754 384103026 /nfs/dbraw/zinc/10/30/26/384103026.db2.gz URCWVEMABYSGJA-UHFFFAOYSA-N -1 0 208.242 1.847 50 0 BDAARM Cc1nc(-c2ccccn2)[n-]c(=O)c1Cl ZINC000005176332 384104244 /nfs/dbraw/zinc/10/42/44/384104244.db2.gz OJQCKFYDDABJEA-UHFFFAOYSA-N -1 0 221.647 1.794 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc(O)cc1 ZINC000005253278 384108379 /nfs/dbraw/zinc/10/83/79/384108379.db2.gz GTGJPSXOXNMQKV-UHFFFAOYSA-N -1 0 209.201 1.196 50 0 BDAARM CCc1ccc(S(=O)(=O)[O-])cc1N ZINC000005317280 384109673 /nfs/dbraw/zinc/10/96/73/384109673.db2.gz CORQIZCSHKRWRQ-UHFFFAOYSA-N -1 0 201.247 1.078 50 0 BDAARM O=C([O-])CCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000005865371 384135356 /nfs/dbraw/zinc/13/53/56/384135356.db2.gz GGVAABMOHZYRRX-UHFFFAOYSA-N -1 0 249.222 1.065 50 0 BDAARM O=C([O-])Cc1nc(COc2ccccc2)n[nH]1 ZINC000040162978 384128310 /nfs/dbraw/zinc/12/83/10/384128310.db2.gz RKDURUPUGVBJDS-UHFFFAOYSA-N -1 0 233.227 1.011 50 0 BDAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2cccs2)N1 ZINC000005819053 384132952 /nfs/dbraw/zinc/13/29/52/384132952.db2.gz AOYPUEQTXLZQGC-XCBNKYQSSA-N -1 0 249.295 1.160 50 0 BDAARM O=C([O-])Cc1cn2cc(Cl)sc2n1 ZINC000040457358 384155248 /nfs/dbraw/zinc/15/52/48/384155248.db2.gz SRNJGYWMFKXAGT-UHFFFAOYSA-N -1 0 216.649 1.676 50 0 BDAARM O=C([O-])/C=C/c1ccc2c(c1)OCCCO2 ZINC000006509612 384155228 /nfs/dbraw/zinc/15/52/28/384155228.db2.gz LNFHNURJFPZCIX-HWKANZROSA-N -1 0 220.224 1.946 50 0 BDAARM COc1ccc(Br)c(C(=O)[O-])n1 ZINC000071256522 384156495 /nfs/dbraw/zinc/15/64/95/384156495.db2.gz DJLLBSHGCMLODW-UHFFFAOYSA-N -1 0 232.033 1.551 50 0 BDAARM C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)C(=O)[O-] ZINC000033434473 384173931 /nfs/dbraw/zinc/17/39/31/384173931.db2.gz PVNYUBVYNXAWMN-RKDXNWHRSA-N -1 0 237.255 1.043 50 0 BDAARM O=C([O-])CCc1ccc2c(c1)OCCO2 ZINC000006678118 384161907 /nfs/dbraw/zinc/16/19/07/384161907.db2.gz JYAJUMPCPQRKKU-UHFFFAOYSA-N -1 0 208.213 1.475 50 0 BDAARM COC(=O)C1=C([O-])c2ccc(OC)c(C)c2CC1 ZINC000071774112 384178639 /nfs/dbraw/zinc/17/86/39/384178639.db2.gz CCDHFGBCVQNOAU-LLVKDONJSA-N -1 0 248.278 1.922 50 0 BDAARM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])c1cccnc1 ZINC000237453602 384207146 /nfs/dbraw/zinc/20/71/46/384207146.db2.gz DEEFIDSIQKPVOF-MWLCHTKSSA-N -1 0 248.282 1.261 50 0 BDAARM O=C([O-])CC[C@H]1Cc2ccccc2NC1=O ZINC000008939811 384227249 /nfs/dbraw/zinc/22/72/49/384227249.db2.gz WSLCTTTURUNBEO-VIFPVBQESA-N -1 0 219.240 1.662 50 0 BDAARM Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)[O-] ZINC000008964399 384228072 /nfs/dbraw/zinc/22/80/72/384228072.db2.gz BEJFMSFRYZHYHL-UHFFFAOYSA-N -1 0 244.250 1.785 50 0 BDAARM O=C([O-])Cn1cc(-c2ccc(F)cc2)cn1 ZINC000043830641 384304369 /nfs/dbraw/zinc/30/43/69/384304369.db2.gz HNRVNRSDDPRFAQ-UHFFFAOYSA-N -1 0 220.203 1.774 50 0 BDAARM O=C([O-])/C=C\C(=O)Nc1ccc(F)c(F)c1 ZINC000012368491 384313222 /nfs/dbraw/zinc/31/32/22/384313222.db2.gz HNGWFUYQWISQED-ARJAWSKDSA-N -1 0 227.166 1.544 50 0 BDAARM CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)[O-] ZINC000012382009 384316587 /nfs/dbraw/zinc/31/65/87/384316587.db2.gz XYLGNAIAXWHHNJ-JTQLQIEISA-N -1 0 227.304 1.792 50 0 BDAARM O=C([O-])CCCNC(=O)N1CCc2ccccc21 ZINC000011767265 384295122 /nfs/dbraw/zinc/29/51/22/384295122.db2.gz AIGMYHZTXMXCHG-UHFFFAOYSA-N -1 0 248.282 1.624 50 0 BDAARM CCN(CC)c1nc(C)cc(C(=O)[O-])n1 ZINC000011729738 384295181 /nfs/dbraw/zinc/29/51/81/384295181.db2.gz OYAYCVJXFBEINR-UHFFFAOYSA-N -1 0 209.249 1.329 50 0 BDAARM O=C([O-])CCn1ccc(=O)c2ccccc21 ZINC000044419158 384332843 /nfs/dbraw/zinc/33/28/43/384332843.db2.gz AVGIGXGPOOBSGR-UHFFFAOYSA-N -1 0 217.224 1.476 50 0 biogenic BDAARM CC(=C\c1ccccc1)/C=C1\NC(=O)[N-]C1=O ZINC000004537297 384394171 /nfs/dbraw/zinc/39/41/71/384394171.db2.gz HALGCYDWRZUPLI-BGZVTZOUSA-N -1 0 228.251 1.813 50 0 BDAARM Cc1ccc(C(=O)[O-])nc1Br ZINC000095830097 384400129 /nfs/dbraw/zinc/40/01/29/384400129.db2.gz WMNTYVZHTYHFLX-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM CC(C)(C)c1cc([N-]S(C)(=O)=O)no1 ZINC000013948475 384377615 /nfs/dbraw/zinc/37/76/15/384377615.db2.gz MNQFZUJSHKKXHN-UHFFFAOYSA-N -1 0 218.278 1.344 50 0 BDAARM COCOc1ccc(F)c(C(=O)[O-])c1F ZINC000095631244 384384250 /nfs/dbraw/zinc/38/42/50/384384250.db2.gz RCOFWMJEVNKHGE-UHFFFAOYSA-N -1 0 218.155 1.646 50 0 BDAARM C/C=C/C=C/C(=O)NCCCCC(=O)[O-] ZINC000070191299 384479115 /nfs/dbraw/zinc/47/91/15/384479115.db2.gz FTZUZFHVFNWNEG-AOGGBPEJSA-N -1 0 211.261 1.490 50 0 BDAARM CCN(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccccc1 ZINC000097018035 384498824 /nfs/dbraw/zinc/49/88/24/384498824.db2.gz SMZFVJLOVZDONS-NSHDSACASA-N -1 0 249.310 1.798 50 0 BDAARM O=C([O-])CCC(=O)c1ccc2c(c1)CC(=O)N2 ZINC000019265285 384512425 /nfs/dbraw/zinc/51/24/25/384512425.db2.gz BRZTWNNOEKBGMW-UHFFFAOYSA-N -1 0 233.223 1.229 50 0 BDAARM O=C([O-])CCNC(=O)c1cc2ccccc2o1 ZINC000019440235 384521960 /nfs/dbraw/zinc/52/19/60/384521960.db2.gz DCPKMIMZCRARJQ-UHFFFAOYSA-N -1 0 233.223 1.637 50 0 BDAARM CC(C)[C@H](OC[C@H]1CCCO1)C(=O)[O-] ZINC000019486279 384525713 /nfs/dbraw/zinc/52/57/13/384525713.db2.gz ZTTIAZCVZOGTEI-BDAKNGLRSA-N -1 0 202.250 1.291 50 0 BDAARM O=C([O-])CNc1ncccc1C(F)(F)F ZINC000019502171 384525900 /nfs/dbraw/zinc/52/59/00/384525900.db2.gz VBQXQSAXNHCGNG-UHFFFAOYSA-N -1 0 220.150 1.597 50 0 BDAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1C1CC1)C1CC1 ZINC000097035516 384562783 /nfs/dbraw/zinc/56/27/83/384562783.db2.gz HPOGEWYZMLYXLG-UWVGGRQHSA-N -1 0 223.272 1.108 50 0 BDAARM CC(=O)Nc1nc(C)c(Br)c(=O)[n-]1 ZINC000019881354 384548758 /nfs/dbraw/zinc/54/87/58/384548758.db2.gz BUYVFMVZVMKHOT-UHFFFAOYSA-N -1 0 246.064 1.212 50 0 BDAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1C1CC1)C1CC1 ZINC000097035519 384561217 /nfs/dbraw/zinc/56/12/17/384561217.db2.gz HPOGEWYZMLYXLG-ZJUUUORDSA-N -1 0 223.272 1.108 50 0 BDAARM Cc1ccc(CN(C)Cc2c[nH]nc2C(=O)[O-])o1 ZINC000097660535 384538819 /nfs/dbraw/zinc/53/88/19/384538819.db2.gz LLSJQHOWRXGEFZ-UHFFFAOYSA-N -1 0 249.270 1.641 50 0 BDAARM CC(C)[C@@H](Nc1nc(Cl)ncc1F)C(=O)[O-] ZINC000098063777 384586643 /nfs/dbraw/zinc/58/66/43/384586643.db2.gz HOFZYMPVZPUYDP-ZCFIWIBFSA-N -1 0 247.657 1.790 50 0 BDAARM O=C([O-])[C@H]1CSC=C(c2ccc(F)cc2)N1 ZINC000100025185 384610982 /nfs/dbraw/zinc/61/09/82/384610982.db2.gz HSZMBOXVDGPRRJ-SNVBAGLBSA-N -1 0 239.271 1.914 50 0 BDAARM Cc1cc(C)nc(-n2[n-]c3c(c2=O)CCCC3)n1 ZINC000100127622 384618814 /nfs/dbraw/zinc/61/88/14/384618814.db2.gz WSSNBUWRKWWQGX-SNVBAGLBSA-N -1 0 244.298 1.986 50 0 BDAARM O=C([O-])c1c[nH]cc(C(F)(F)F)c1=O ZINC000098095817 384594232 /nfs/dbraw/zinc/59/42/32/384594232.db2.gz PXRMFIMXJCWETR-UHFFFAOYSA-N -1 0 207.107 1.504 50 0 BDAARM O=C([O-])c1ncn2c1COc1ccccc1-2 ZINC000082370039 384675798 /nfs/dbraw/zinc/67/57/98/384675798.db2.gz WYZNXVXSPMXJFX-UHFFFAOYSA-N -1 0 216.196 1.463 50 0 BDAARM Cc1ccc(C(=O)[O-])c(Br)n1 ZINC000083255356 384756168 /nfs/dbraw/zinc/75/61/68/384756168.db2.gz CVRDFTFGUOFEJU-UHFFFAOYSA-N -1 0 216.034 1.851 50 0 BDAARM O=C([O-])c1cncn1Cc1ccccc1 ZINC000026895899 384886595 /nfs/dbraw/zinc/88/65/95/384886595.db2.gz KFCCJOSPLDQLRS-UHFFFAOYSA-N -1 0 202.213 1.630 50 0 BDAARM CC1(C)CC(=O)Nc2cc(C(=O)[O-])ccc2N1 ZINC000084145288 384844179 /nfs/dbraw/zinc/84/41/79/384844179.db2.gz WRABQNYUTXYZSG-UHFFFAOYSA-N -1 0 234.255 1.918 50 0 BDAARM Nc1nccc(-c2cccc(C(=O)[O-])c2)n1 ZINC000085221800 384929027 /nfs/dbraw/zinc/92/90/27/384929027.db2.gz CWUXESDZJZJHBI-UHFFFAOYSA-N -1 0 215.212 1.424 50 0 BDAARM CC(=O)N[C@@H](CC(=O)[O-])c1c(F)cccc1F ZINC000057218518 384932627 /nfs/dbraw/zinc/93/26/27/384932627.db2.gz ZTPAZNBUIRZBKL-VIFPVBQESA-N -1 0 243.209 1.617 50 0 BDAARM Nc1nc2c(cc(C(=O)[O-])cc2F)s1 ZINC000057218982 384933124 /nfs/dbraw/zinc/93/31/24/384933124.db2.gz IJUUDHDFVRTWEJ-UHFFFAOYSA-N -1 0 212.205 1.716 50 0 BDAARM O=C([O-])CN1CC[C@H](c2ccccc2)NC1=O ZINC000258183446 384934063 /nfs/dbraw/zinc/93/40/63/384934063.db2.gz ZRTDMRNGVBHDRV-SNVBAGLBSA-N -1 0 234.255 1.228 50 0 BDAARM CN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccs1 ZINC000057340867 384939183 /nfs/dbraw/zinc/93/91/83/384939183.db2.gz QKMBIOAOPNQEAH-XVKPBYJWSA-N -1 0 239.296 1.742 50 0 BDAARM O=C([O-])CN1c2ccsc2CCCC1=O ZINC000058037986 384980985 /nfs/dbraw/zinc/98/09/85/384980985.db2.gz PQINLZINZTWBEJ-UHFFFAOYSA-N -1 0 225.269 1.502 50 0 BDAARM Cc1cc(C)c(C(=O)NCC(=O)[O-])c(C)c1 ZINC000005361489 385028343 /nfs/dbraw/zinc/02/83/43/385028343.db2.gz CXYAGLHFXXKLBS-UHFFFAOYSA-N -1 0 221.256 1.426 50 0 biogenic,in-vitro BDAARM O=C([O-])COc1ccc2ncsc2c1 ZINC000031887426 385109109 /nfs/dbraw/zinc/10/91/09/385109109.db2.gz AFMVSZZYKCRLHY-UHFFFAOYSA-N -1 0 209.226 1.760 50 0 BDAARM CO[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000072233322 385131319 /nfs/dbraw/zinc/13/13/19/385131319.db2.gz ASZDCIJXCHXGGY-JTQLQIEISA-N -1 0 208.213 1.394 50 0 BDAARM CCCCc1c(C)nc2[n-]c(C)nn2c1=O ZINC000018222256 385094620 /nfs/dbraw/zinc/09/46/20/385094620.db2.gz AHGVBWKKIHSNST-UHFFFAOYSA-N -1 0 220.276 1.789 50 0 BDAARM O=C([O-])c1nn(-c2cccc(F)c2)ccc1=O ZINC000062152006 385163302 /nfs/dbraw/zinc/16/33/02/385163302.db2.gz OPNZTXSDJDVUGW-UHFFFAOYSA-N -1 0 234.186 1.070 50 0 BDAARM O=c1[n-]n2ccccc2c1Br ZINC000063539558 385227048 /nfs/dbraw/zinc/22/70/48/385227048.db2.gz UVTOQVBDNLWPLP-UHFFFAOYSA-N -1 0 213.034 1.390 50 0 BDAARM Cc1n[n-]c(SCc2cccnc2)nc1=O ZINC000005612636 385231520 /nfs/dbraw/zinc/23/15/20/385231520.db2.gz JBZVMNRJELLNTD-UHFFFAOYSA-N -1 0 234.284 1.161 50 0 BDAARM Cc1occc1S([O-])=CC(=O)NCC(C)C ZINC000189651834 385243558 /nfs/dbraw/zinc/24/35/58/385243558.db2.gz QYUCDLVAKZIDQJ-MRXNPFEDSA-N -1 0 243.328 1.468 50 0 BDAARM Cc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1F ZINC000005009576 385455223 /nfs/dbraw/zinc/45/52/23/385455223.db2.gz SVOLTPICUOQXTO-UHFFFAOYSA-N -1 0 234.234 1.664 50 0 BDAARM CC[C@H](O)C[C@@H]1CC[C@@H]([C@H](C)C(=O)[O-])O1 ZINC000257354979 385766603 /nfs/dbraw/zinc/76/66/03/385766603.db2.gz HTCUURQJNZBKIA-XKNYDFJKSA-N -1 0 216.277 1.416 50 0 BDAARM Cc1ccc2oc(C(=O)N[C@H](C)C(=O)[O-])cc2n1 ZINC000262459666 386026947 /nfs/dbraw/zinc/02/69/47/386026947.db2.gz VJBLHWAJKMAKGJ-SSDOTTSWSA-N -1 0 248.238 1.339 50 0 BDAARM O=C([O-])C1(NC(=O)c2cc(F)ccc2F)CC1 ZINC000203652354 386579573 /nfs/dbraw/zinc/57/95/73/386579573.db2.gz XKOIJGKGJNLTRK-UHFFFAOYSA-N -1 0 241.193 1.312 50 0 BDAARM Cc1cn(CC(=O)[O-])nc1C(F)(F)F ZINC000238856046 386537456 /nfs/dbraw/zinc/53/74/56/386537456.db2.gz URYBQPIPDBWRIK-UHFFFAOYSA-N -1 0 208.139 1.295 50 0 BDAARM CNc1ncnc2cc(C(=O)[O-])ccc21 ZINC000001293138 386628634 /nfs/dbraw/zinc/62/86/34/386628634.db2.gz GQQZLSKOGOTHBN-UHFFFAOYSA-N -1 0 203.201 1.370 50 0 BDAARM O=C([O-])c1cnc(Nc2ccccc2)[nH]c1=O ZINC000059356027 386737760 /nfs/dbraw/zinc/73/77/60/386737760.db2.gz SJMUNPNTQZRZOS-UHFFFAOYSA-N -1 0 231.211 1.624 50 0 BDAARM CC[C@H](CO)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000035102855 387032808 /nfs/dbraw/zinc/03/28/08/387032808.db2.gz YNVDHTJWMGIBHB-MRVPVSSYSA-N -1 0 243.690 1.546 50 0 BDAARM O=C(C=C([O-])c1ccc(F)cc1)CCCO ZINC000100239301 387353756 /nfs/dbraw/zinc/35/37/56/387353756.db2.gz FAAFEQBIXSTCEQ-UHFFFAOYSA-N -1 0 224.231 1.740 50 0 BDAARM O=CN(CC(=O)[O-])c1ccccc1Cl ZINC000006227100 387515720 /nfs/dbraw/zinc/51/57/20/387515720.db2.gz ITOCBUJLLCSJQS-UHFFFAOYSA-N -1 0 213.620 1.387 50 0 BDAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)C1(C)COC1 ZINC000426550647 387580029 /nfs/dbraw/zinc/58/00/29/387580029.db2.gz PSDYPBBJBDAXNQ-SECBINFHSA-N -1 0 243.303 1.029 50 0 BDAARM Cc1cc(C(=O)[O-])c(C)n1-c1cnn(C)c1 ZINC000035737340 387552367 /nfs/dbraw/zinc/55/23/67/387552367.db2.gz DAQYLOPDNGEWKW-UHFFFAOYSA-N -1 0 219.244 1.526 50 0 BDAARM COc1n[nH]c(-c2cc(OC)ccc2OC)n1 ZINC000426401748 387564525 /nfs/dbraw/zinc/56/45/25/387564525.db2.gz LUAOGBYJYIUKQQ-UHFFFAOYSA-N -1 0 235.243 1.498 50 0 BDAARM O=C(Cc1ccsc1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000426412159 387566549 /nfs/dbraw/zinc/56/65/49/387566549.db2.gz FSBDOQXQEMFBQX-KYZUINATSA-N -1 0 239.296 1.270 50 0 BDAARM Cc1cc(C)cc(-n2ccc(=O)c(C(=O)[O-])n2)c1 ZINC000031977347 177889699 /nfs/dbraw/zinc/88/96/99/177889699.db2.gz QKWCSPPVDGICTK-UHFFFAOYSA-N -1 0 244.250 1.548 50 0 BDAARM Cc1cc(C(=O)[O-])ccc1-n1cccn1 ZINC000050546244 177823832 /nfs/dbraw/zinc/82/38/32/177823832.db2.gz BUQAHTXZCXPYMW-UHFFFAOYSA-N -1 0 202.213 1.879 50 0 BDAARM O=C([O-])CNC(=O)C1(c2ccccc2F)CC1 ZINC000082265877 388018547 /nfs/dbraw/zinc/01/85/47/388018547.db2.gz FBTHSICOXVOHAD-UHFFFAOYSA-N -1 0 237.230 1.058 50 0 BDAARM Cc1cc(C(=O)NCC(=O)[O-])ccc1Cl ZINC000125294531 177776910 /nfs/dbraw/zinc/77/69/10/177776910.db2.gz BDZJGSBLRCAFNP-UHFFFAOYSA-N -1 0 227.647 1.463 50 0 BDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250838290 388191856 /nfs/dbraw/zinc/19/18/56/388191856.db2.gz LHTRFIWQVCUUFU-ZRUFSTJUSA-N -1 0 237.299 1.498 50 0 BDAARM O=C([O-])C[C@H]1CCCN1C(=O)c1ccccc1 ZINC000042144176 388268781 /nfs/dbraw/zinc/26/87/81/388268781.db2.gz UCCFPNVTLCFNCA-LLVKDONJSA-N -1 0 233.267 1.766 50 0 BDAARM O=C([O-])c1cccc(-c2cn3[nH]ccc3n2)n1 ZINC000076068524 388373538 /nfs/dbraw/zinc/37/35/38/388373538.db2.gz LOFFSYNDVGQEES-UHFFFAOYSA-N -1 0 228.211 1.423 50 0 BDAARM C[C@@H](Cc1ccccc1)C(=O)N(C)CCC(=O)[O-] ZINC000195542024 388480514 /nfs/dbraw/zinc/48/05/14/388480514.db2.gz COASAOULBWCAMI-NSHDSACASA-N -1 0 249.310 1.798 50 0 BDAARM C[C@H](Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000195541377 388479358 /nfs/dbraw/zinc/47/93/58/388479358.db2.gz KLWZPATUINPFOU-LLVKDONJSA-N -1 0 249.310 1.846 50 0 BDAARM CCCn1c(=O)c2c(cnn2C)[n-]c1=S ZINC000020132011 388755836 /nfs/dbraw/zinc/75/58/36/388755836.db2.gz KOZXAJLCABYGFS-UHFFFAOYSA-N -1 0 224.289 1.203 50 0 BDAARM O=C([O-])c1cc(N2CCCCC2)ccn1 ZINC000001703858 132314602 /nfs/dbraw/zinc/31/46/02/132314602.db2.gz SKWHGCFXCHSXOF-UHFFFAOYSA-N -1 0 206.245 1.770 50 0 BDAARM O=C([O-])c1cnc(N2CCCCC2)cn1 ZINC000040448483 132347846 /nfs/dbraw/zinc/34/78/46/132347846.db2.gz DXLRZFZELFDDFR-UHFFFAOYSA-N -1 0 207.233 1.165 50 0 BDAARM O=C([O-])CCC(=O)N1CCCc2ccccc21 ZINC000000068581 132312512 /nfs/dbraw/zinc/31/25/12/132312512.db2.gz DNKIZDFFMHNPNH-UHFFFAOYSA-N -1 0 233.267 1.831 50 0 BDAARM O=C([O-])c1ccc(N2CCOCC2)cc1Cl ZINC000000168130 132312783 /nfs/dbraw/zinc/31/27/83/132312783.db2.gz AJCOZBPUPGTLME-UHFFFAOYSA-N -1 0 241.674 1.875 50 0 BDAARM O=C([O-])c1cccnc1N1CCCCC1 ZINC000002578040 132315080 /nfs/dbraw/zinc/31/50/80/132315080.db2.gz YNZJJMDTAFCBGO-UHFFFAOYSA-N -1 0 206.245 1.770 50 0 BDAARM O=c1cc([O-])[nH]c(=S)n1-c1ccccc1 ZINC000006581176 132318365 /nfs/dbraw/zinc/31/83/65/132318365.db2.gz 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JUQMZVZMDMNFHL-LPEHRKFASA-N -1 0 223.272 1.322 50 0 BDAARM C[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-] ZINC000263202753 135339648 /nfs/dbraw/zinc/33/96/48/135339648.db2.gz VIOCGNISEXJAJT-SECBINFHSA-N -1 0 245.278 1.849 50 0 BDAARM C[C@@H](CN(C)c1ncccc1F)C(=O)[O-] ZINC000263543629 135358839 /nfs/dbraw/zinc/35/88/39/135358839.db2.gz FKFMOIDKMCWNQW-ZETCQYMHSA-N -1 0 212.224 1.378 50 0 BDAARM CC[C@H](C(=O)[O-])N1CCO[C@H](C(C)C)C1 ZINC000263581673 135361023 /nfs/dbraw/zinc/36/10/23/135361023.db2.gz XMNRRCIFLQEPFX-ZJUUUORDSA-N -1 0 215.293 1.206 50 0 BDAARM Cc1nnnn1/C(=C/c1ccccc1)C(=O)[O-] ZINC000006046047 398046368 /nfs/dbraw/zinc/04/63/68/398046368.db2.gz PTBNDKSHTBGKBT-JXMROGBWSA-N -1 0 230.227 1.064 50 0 BDAARM C/C=C(/C)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000225551103 398073533 /nfs/dbraw/zinc/07/35/33/398073533.db2.gz QAEXLQGGWCDCGB-BSKOKIOFSA-N -1 0 227.304 1.816 50 0 BDAARM O=C([O-])Cc1cccc(Br)n1 ZINC000049581951 398051860 /nfs/dbraw/zinc/05/18/60/398051860.db2.gz 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ZINC000085006447 488120579 /nfs/dbraw/zinc/12/05/79/488120579.db2.gz RDNOFEVSTQSCBG-VXNVDRBHSA-N -1 0 223.228 1.263 50 0 BDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n2CC1CC1 ZINC000019843469 487501552 /nfs/dbraw/zinc/50/15/52/487501552.db2.gz BBDBZPWMVIDOMI-UHFFFAOYSA-N -1 0 232.239 1.438 50 0 BDAARM C[C@H]1C[C@H]1C(=O)c1nc(C(=O)[O-])cs1 ZINC000757126334 582501675 /nfs/dbraw/zinc/50/16/75/582501675.db2.gz VXSODXWAHMVKNG-CRCLSJGQSA-N -1 0 211.242 1.680 50 0 BDAARM CCO[C@@H](C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262107974 535729831 /nfs/dbraw/zinc/72/98/31/535729831.db2.gz MMURIEVCJXTCCH-IDKOKCKLSA-N -1 0 243.303 1.171 50 0 BDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000236673795 519710999 /nfs/dbraw/zinc/71/09/99/519710999.db2.gz RYHUPMCDMVULLF-WDEREUQCSA-N -1 0 239.315 1.602 50 0 BDAARM CC(C)[C@H](C(=O)[O-])C(=O)OC(C)(C)C ZINC000221913856 519810136 /nfs/dbraw/zinc/81/01/36/519810136.db2.gz YNQHPYUDDWZEHS-SSDOTTSWSA-N -1 0 202.250 1.685 50 0 BDAARM CC(C)[C@H](C)N(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000242273495 519811432 /nfs/dbraw/zinc/81/14/32/519811432.db2.gz YDDICTCWMBQXHC-JMJZKYOTSA-N -1 0 239.315 1.743 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000252486545 526282877 /nfs/dbraw/zinc/28/28/77/526282877.db2.gz LGDYPCFQWWENAY-VPOLOUISSA-N -1 0 237.299 1.402 50 0 BDAARM O=C([O-])C1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000154972813 527552538 /nfs/dbraw/zinc/55/25/38/527552538.db2.gz DQDIMSKNJXFVRP-AOOOYVTPSA-N -1 0 237.299 1.500 50 0 BDAARM CCc1onc(-c2cnn(C)c2)c1C(=O)[O-] ZINC000069969402 537850724 /nfs/dbraw/zinc/85/07/24/537850724.db2.gz FCPWYFVWHLLZRM-UHFFFAOYSA-N -1 0 221.216 1.336 50 0 BDAARM C[C@@H](O)C[C@@H](Sc1ccccn1)C(=O)[O-] ZINC000040498058 566289448 /nfs/dbraw/zinc/28/94/48/566289448.db2.gz IFGCWRPBGGNIDR-HTQZYQBOSA-N -1 0 227.285 1.398 50 0 BDAARM COC(=O)/C(C#N)=C/c1cccc(C(=O)[O-])c1 ZINC000095943451 598200724 /nfs/dbraw/zinc/20/07/24/598200724.db2.gz STQPUPWFBBYIDF-UXBLZVDNSA-N -1 0 231.207 1.465 50 0 BDAARM CC(C)(C)OC(=O)CC12CC(C(=O)[O-])(C1)C2 ZINC000238790011 635625391 /nfs/dbraw/zinc/62/53/91/635625391.db2.gz KRVGWJDDWNGIED-UHFFFAOYSA-N -1 0 226.272 1.973 50 0 BDAARM O=C([O-])C1(O[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000004948236 635168666 /nfs/dbraw/zinc/16/86/66/635168666.db2.gz PZNCCKQLSIXSFR-UHFFFAOYSA-N -1 0 241.243 1.474 50 0 BDAARM CC(=O)N1CCc2cc([S@@](=O)[O-])ccc21 ZINC000071532207 642414111 /nfs/dbraw/zinc/41/41/11/642414111.db2.gz VXSHSZYBYJWRNM-UHFFFAOYSA-N -1 0 225.269 1.176 50 0 BDAARM CC[C@H](CCC[C@H]1CCNC(=O)N1)CC(=O)[O-] ZINC000000199465 642750344 /nfs/dbraw/zinc/75/03/44/642750344.db2.gz HHANQANOVUZMLJ-ZJUUUORDSA-N -1 0 242.319 1.729 50 0 BDAARM O=C([O-])C(F)(F)[C@@H](O)c1ccccc1 ZINC000035975907 643553412 /nfs/dbraw/zinc/55/34/12/643553412.db2.gz LUTWVXSKIQMZHU-ZETCQYMHSA-N -1 0 202.156 1.440 50 0 BDAARM O=C([O-])[C@@H]1CCN1C(=O)/C=C/c1ccccc1 ZINC000097134476 644873704 /nfs/dbraw/zinc/87/37/04/644873704.db2.gz VTJKXALCBPBEEM-MLRMMBSGSA-N -1 0 231.251 1.385 50 0 BDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC000061215143 712284155 /nfs/dbraw/zinc/28/41/55/712284155.db2.gz VXAUDAPBLIWBIB-QMMMGPOBSA-N -1 0 231.292 1.964 50 0 BDAARM C[C@@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)[C@@H]1C ZINC000585119434 972153476 /nfs/dbraw/zinc/15/34/76/972153476.db2.gz HPZJTGKGTMNNCU-RKDXNWHRSA-N -1 0 246.314 1.648 50 0 BDAARM Cc1[nH]nc(C(=O)[O-])c1NC(=O)OC1CCC1 ZINC000952878390 974056994 /nfs/dbraw/zinc/05/69/94/974056994.db2.gz DFOPFLJSJDVKNT-UHFFFAOYSA-N -1 0 239.231 1.517 50 0 BDAARM O=C([O-])[C@]1([C@@H]2CCCCO2)CCCO1 ZINC000686648128 985193249 /nfs/dbraw/zinc/19/32/49/985193249.db2.gz XPIPLZHHJRBITM-WCBMZHEXSA-N -1 0 200.234 1.189 50 0 BDAARM Cc1ccc(C)c([C@H](C(=O)[O-])N2CC(O)C2)c1 ZINC001529186629 990336776 /nfs/dbraw/zinc/33/67/76/990336776.db2.gz IUWRMQNDCLNGHV-GFCCVEGCSA-N -1 0 235.283 1.106 50 0 BDAARM CC/C=C(/C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000058392030 398135887 /nfs/dbraw/zinc/13/58/87/398135887.db2.gz REKDWRYTWKMAOI-WTKPLQERSA-N -1 0 225.288 1.666 50 0 BDAARM CCC(CC)(CNC(=O)c1ccc[nH]1)C(=O)[O-] ZINC000097020658 168326062 /nfs/dbraw/zinc/32/60/62/168326062.db2.gz DDFRSIKFHPZLDN-UHFFFAOYSA-N -1 0 238.287 1.636 50 0 BDAARM Cc1ccc2[n-]c(=S)n(N)c(=O)c2c1 ZINC000071289369 398145655 /nfs/dbraw/zinc/14/56/55/398145655.db2.gz QXSYTOYVAIKJSO-UHFFFAOYSA-N -1 0 207.258 1.081 50 0 BDAARM CC(=O)Nc1sc(C(C)=O)cc1C(=O)[O-] ZINC000002155565 259300681 /nfs/dbraw/zinc/30/06/81/259300681.db2.gz JTOYDXWEJKRHNT-UHFFFAOYSA-N -1 0 227.241 1.607 50 0 BDAARM Cn1ccnc1[C@@H](CC(=O)[O-])C(F)(F)F ZINC000075855272 398228683 /nfs/dbraw/zinc/22/86/83/398228683.db2.gz IFDSEWHXBGZYQZ-RXMQYKEDSA-N -1 0 222.166 1.541 50 0 BDAARM O=C([O-])c1ccc(Br)c(O)c1 ZINC000012471554 259304684 /nfs/dbraw/zinc/30/46/84/259304684.db2.gz PAJSESFUWIYFNF-UHFFFAOYSA-N -1 0 217.018 1.853 50 0 BDAARM Cc1cc2c(ccn(CC(=O)[O-])c2=O)s1 ZINC000032918616 178276370 /nfs/dbraw/zinc/27/63/70/178276370.db2.gz AVMUDVBXDJIRPV-UHFFFAOYSA-N -1 0 223.253 1.456 50 0 BDAARM Cc1cc2ccccn2c1C(=O)C(=O)[O-] ZINC000002026755 178299139 /nfs/dbraw/zinc/29/91/39/178299139.db2.gz CCPXKHHOEGGLHV-UHFFFAOYSA-N -1 0 203.197 1.515 50 0 BDAARM Cc1cc2nc(C(=O)[O-])cc(C3CC3)n2n1 ZINC000041229538 178300082 /nfs/dbraw/zinc/30/00/82/178300082.db2.gz DHALQDJRAPMSEG-UHFFFAOYSA-N -1 0 217.228 1.613 50 0 BDAARM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])c(C)c1 ZINC000021952767 178390394 /nfs/dbraw/zinc/39/03/94/178390394.db2.gz DESAPHDWCXLBKH-LBPRGKRZSA-N -1 0 247.294 1.993 50 0 BDAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1 ZINC000062119286 178394188 /nfs/dbraw/zinc/39/41/88/178394188.db2.gz OILMPNGGUIZWPE-SNVBAGLBSA-N -1 0 248.282 1.245 50 0 BDAARM Fc1ccc(Cn2nn[n-]c2=S)cc1 ZINC000000103931 342674588 /nfs/dbraw/zinc/67/45/88/342674588.db2.gz VRVMTYQHYHRYLH-UHFFFAOYSA-N -1 0 210.237 1.149 50 0 BDAARM O=C([O-])c1ccc(I)cc1 ZINC000000167246 342678751 /nfs/dbraw/zinc/67/87/51/342678751.db2.gz GHICCUXQJBDNRN-UHFFFAOYSA-N -1 0 248.019 1.989 50 0 in-vitro BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000000198034 342679959 /nfs/dbraw/zinc/67/99/59/342679959.db2.gz ACCRKQWGKXZJPM-ZETCQYMHSA-N -1 0 239.658 1.778 50 0 BDAARM Nc1ccc(NCc2cccnc2)c(C(=O)[O-])c1 ZINC000000319716 342683318 /nfs/dbraw/zinc/68/33/18/342683318.db2.gz QEGXPJYAQLFLGN-UHFFFAOYSA-N -1 0 243.266 1.974 50 0 BDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCCC1 ZINC000000340614 342684190 /nfs/dbraw/zinc/68/41/90/342684190.db2.gz HNJPLFABNAMDGK-QWRGUYRKSA-N -1 0 239.315 1.890 50 0 BDAARM COC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000389262 342685765 /nfs/dbraw/zinc/68/57/65/342685765.db2.gz KNVDHKOSDVFZTO-UHFFFAOYSA-N -1 0 229.257 1.040 50 0 in-vitro BDAARM C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000039113 342670769 /nfs/dbraw/zinc/67/07/69/342670769.db2.gz FBDCJLXTUCMFLF-QMMMGPOBSA-N -1 0 246.266 1.300 50 0 in-vitro BDAARM Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1 ZINC000001648146 342707116 /nfs/dbraw/zinc/70/71/16/342707116.db2.gz HBZVNWNSRNTWPS-UHFFFAOYSA-N -1 0 239.252 1.374 50 0 BDAARM O=S(=O)([O-])c1ccc(Br)cc1 ZINC000001729188 342711511 /nfs/dbraw/zinc/71/15/11/342711511.db2.gz PXACTUVBBMDKRW-UHFFFAOYSA-N -1 0 237.074 1.696 50 0 BDAARM Cc1cc2nc(C)c(CCC(=O)[O-])c(C)n2n1 ZINC000004206426 342744300 /nfs/dbraw/zinc/74/43/00/342744300.db2.gz AHYIJUKMQAHZNZ-UHFFFAOYSA-N -1 0 233.271 1.672 50 0 BDAARM Fc1ccc(OCc2nnn[n-]2)c(F)c1 ZINC000004437002 342747896 /nfs/dbraw/zinc/74/78/96/342747896.db2.gz LULOBQGTSJYLJI-UHFFFAOYSA-N -1 0 212.159 1.057 50 0 BDAARM Cc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)[O-] ZINC000004487582 342748226 /nfs/dbraw/zinc/74/82/26/342748226.db2.gz BRKAIKMVNULTPQ-LLVKDONJSA-N -1 0 249.266 1.811 50 0 BDAARM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002539205 342723310 /nfs/dbraw/zinc/72/33/10/342723310.db2.gz IMUSLIHRIYOHEV-ZETCQYMHSA-N -1 0 249.332 1.717 50 0 BDAARM C[C@@](O)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000002547706 342723809 /nfs/dbraw/zinc/72/38/09/342723809.db2.gz CUDDZZCNPJYPBF-VIFPVBQESA-N -1 0 200.621 1.632 50 0 BDAARM CCOc1nc(C)c(CC(=O)[O-])c(OCC)n1 ZINC000004575296 342749462 /nfs/dbraw/zinc/74/94/62/342749462.db2.gz FHNYGYRFWUNOGY-UHFFFAOYSA-N -1 0 240.259 1.210 50 0 BDAARM CC[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000034586604 342726173 /nfs/dbraw/zinc/72/61/73/342726173.db2.gz QUJJZDFGKLKCJR-WRWORJQWSA-N -1 0 229.276 1.764 50 0 BDAARM CC(C)(C)NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000003357035 342732928 /nfs/dbraw/zinc/73/29/28/342732928.db2.gz VJXDBDSKIPDQBE-UHFFFAOYSA-N -1 0 227.304 1.936 50 0 BDAARM CSc1ccc(C)cc1S(=O)(=O)[O-] ZINC000004671340 342750474 /nfs/dbraw/zinc/75/04/74/342750474.db2.gz RZHOQALUQJDFBN-UHFFFAOYSA-N -1 0 218.299 1.964 50 0 BDAARM COc1cc(Cl)cc(C=O)c1OCC(=O)[O-] ZINC000004802506 342752333 /nfs/dbraw/zinc/75/23/33/342752333.db2.gz BUWMPGOSLRJIOT-UHFFFAOYSA-N -1 0 244.630 1.625 50 0 BDAARM CCOc1cc(C=O)ccc1O[C@H](C)C(=O)[O-] ZINC000005958807 342772141 /nfs/dbraw/zinc/77/21/41/342772141.db2.gz SQWDGIFPMCHJMH-MRVPVSSYSA-N -1 0 238.239 1.750 50 0 BDAARM Cc1cc2[nH]c(CC(=O)[O-])nc2c(C)c1 ZINC000006300281 342776077 /nfs/dbraw/zinc/77/60/77/342776077.db2.gz IHVAWDKGYTYBBR-UHFFFAOYSA-N -1 0 204.229 1.807 50 0 BDAARM O=c1cnn(Cc2ccccc2)c([O-])c1Cl ZINC000006557639 342779291 /nfs/dbraw/zinc/77/92/91/342779291.db2.gz UFGZPCUUXYWPKF-UHFFFAOYSA-N -1 0 236.658 1.651 50 0 BDAARM Nc1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000006858659 342784764 /nfs/dbraw/zinc/78/47/64/342784764.db2.gz JVTKXNSEIZHSHD-UHFFFAOYSA-N -1 0 249.295 1.465 50 0 BDAARM CC[C@@H](Nc1ccc(OC)cc1)C(=O)[O-] ZINC000008702741 342802862 /nfs/dbraw/zinc/80/28/62/342802862.db2.gz MTMUHDXGYAZWHL-SNVBAGLBSA-N -1 0 209.245 1.970 50 0 BDAARM O=C([O-])c1ccc(=O)n(Cc2ccccc2F)c1 ZINC000008769006 342804543 /nfs/dbraw/zinc/80/45/43/342804543.db2.gz FXGQVTGVJNJRQF-UHFFFAOYSA-N -1 0 247.225 1.734 50 0 BDAARM O=C([O-])[C@@H](c1ccccc1)N1CCC(=O)CC1 ZINC000011962660 342845303 /nfs/dbraw/zinc/84/53/03/342845303.db2.gz QCBIWGPSVRMWGK-GFCCVEGCSA-N -1 0 233.267 1.477 50 0 BDAARM O=C([O-])[C@H](c1ccccc1)N1CCC(=O)CC1 ZINC000011962658 342845364 /nfs/dbraw/zinc/84/53/64/342845364.db2.gz QCBIWGPSVRMWGK-LBPRGKRZSA-N -1 0 233.267 1.477 50 0 BDAARM CCOc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000000492435 346867717 /nfs/dbraw/zinc/86/77/17/346867717.db2.gz DNUOTHWNLNWVKA-UHFFFAOYSA-N -1 0 237.255 1.290 50 0 BDAARM O=C([O-])c1cccnc1NC[C@@H]1CCCO1 ZINC000012474669 342852357 /nfs/dbraw/zinc/85/23/57/342852357.db2.gz BQBWXSICGUBTLT-QMMMGPOBSA-N -1 0 222.244 1.371 50 0 BDAARM O=C([O-])c1cccc(OCC[NH+]2CCCC2)c1 ZINC000011884847 342844005 /nfs/dbraw/zinc/84/40/05/342844005.db2.gz WHNQHQDECCTTDC-UHFFFAOYSA-N -1 0 235.283 1.859 50 0 BDAARM CCc1c(C(=O)[O-])nnn1-c1cccc(OC)c1 ZINC000011888058 342844118 /nfs/dbraw/zinc/84/41/18/342844118.db2.gz BCWKDNYJVPMGPG-UHFFFAOYSA-N -1 0 247.254 1.537 50 0 BDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000011891348 342844189 /nfs/dbraw/zinc/84/41/89/342844189.db2.gz POFNOURPIVBRIP-LBPRGKRZSA-N -1 0 247.294 1.552 50 0 BDAARM CC(C)(C)OC(=O)N1CC=C[C@@H](C(=O)[O-])C1 ZINC000034519446 398303897 /nfs/dbraw/zinc/30/38/97/398303897.db2.gz AJJZXQNJDSMECU-MRVPVSSYSA-N -1 0 227.260 1.494 50 0 BDAARM Cc1cc(=O)[nH]c(Nc2ccccc2O)n1 ZINC000004368112 342857726 /nfs/dbraw/zinc/85/77/26/342857726.db2.gz ICZLJANAARJUME-UHFFFAOYSA-N -1 0 217.228 1.528 50 0 BDAARM O=C1[N-]C(=O)/C(=C\c2ccc(F)cc2)N1 ZINC000012410555 346899185 /nfs/dbraw/zinc/89/91/85/346899185.db2.gz NIIDHJDIIPZAEZ-VMPITWQZSA-N -1 0 206.176 1.006 50 0 BDAARM O=c1nc2[nH]c(C(F)(F)F)ccc-2c(=O)[n-]1 ZINC000020282143 342980284 /nfs/dbraw/zinc/98/02/84/342980284.db2.gz CFHGKXKFXKJQSH-UHFFFAOYSA-N -1 0 231.133 1.043 50 0 BDAARM O=C([O-])[C@H]1CCCCN1C(=O)C1CCCC1 ZINC000020285427 342980660 /nfs/dbraw/zinc/98/06/60/342980660.db2.gz BHNIPDIWMSLFOZ-SNVBAGLBSA-N -1 0 225.288 1.642 50 0 BDAARM CN(C)c1nccc(-c2cccc(C(=O)[O-])c2)n1 ZINC000020442564 342985342 /nfs/dbraw/zinc/98/53/42/342985342.db2.gz AWTFZWNIBPYPIA-UHFFFAOYSA-N -1 0 243.266 1.908 50 0 BDAARM Cn1cc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000020441212 342985411 /nfs/dbraw/zinc/98/54/11/342985411.db2.gz ADEBTUFPSZKNOA-UHFFFAOYSA-N -1 0 202.213 1.785 50 0 BDAARM Cc1ccoc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000022147644 343042397 /nfs/dbraw/zinc/04/23/97/343042397.db2.gz YDSGOKHYXNCMSB-VIFPVBQESA-N -1 0 237.255 1.525 50 0 BDAARM O=C([O-])[C@H]1CCCN(c2nccs2)C1 ZINC000022168038 343042652 /nfs/dbraw/zinc/04/26/52/343042652.db2.gz HBUSXPMRNOKFBL-ZETCQYMHSA-N -1 0 212.274 1.444 50 0 BDAARM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000021951926 343029445 /nfs/dbraw/zinc/02/94/45/343029445.db2.gz ICGZUNNKSIRQNH-MRVPVSSYSA-N -1 0 213.277 1.498 50 0 BDAARM COc1c(C=O)cccc1O[C@@H](C)C(=O)[O-] ZINC000022636722 343052357 /nfs/dbraw/zinc/05/23/57/343052357.db2.gz QRHXGIAENDCKTG-ZETCQYMHSA-N -1 0 224.212 1.360 50 0 BDAARM Cc1onc(C(=O)[O-])c1Br ZINC000026547669 343106898 /nfs/dbraw/zinc/10/68/98/343106898.db2.gz TVXIVXIIHHPVRX-UHFFFAOYSA-N -1 0 205.995 1.444 50 0 BDAARM O=C([O-])CCC(=O)OCc1ccc(F)cc1F ZINC000004950229 343273430 /nfs/dbraw/zinc/27/34/30/343273430.db2.gz FMYNVFUQRYHDOH-UHFFFAOYSA-N -1 0 244.193 1.873 50 0 BDAARM Cc1ccc2c(c1)[C@@H](C(=O)[O-])CC(=O)N2 ZINC000034925581 343280252 /nfs/dbraw/zinc/28/02/52/343280252.db2.gz JFIPUEDLUPIYIA-QMMMGPOBSA-N -1 0 205.213 1.505 50 0 BDAARM O=C([O-])c1nn(-c2cccc(F)c2)cc1O ZINC000036721586 343322876 /nfs/dbraw/zinc/32/28/76/343322876.db2.gz GNVISLUCVVHPCS-UHFFFAOYSA-N -1 0 222.175 1.415 50 0 BDAARM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCc3ccccc32)C1 ZINC000036878589 343326369 /nfs/dbraw/zinc/32/63/69/343326369.db2.gz DBSIFUPIEIQHLR-PWSUYJOCSA-N -1 0 245.278 1.607 50 0 BDAARM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000036947042 343328430 /nfs/dbraw/zinc/32/84/30/343328430.db2.gz JEXGOOAPTSDTCD-NSHDSACASA-N -1 0 229.276 1.764 50 0 BDAARM O=C([O-])[C@@H](c1ccccc1)N1CCCCC1=O ZINC000036960477 343328477 /nfs/dbraw/zinc/32/84/77/343328477.db2.gz CQHQRANYGPPLRE-GFCCVEGCSA-N -1 0 233.267 1.825 50 0 BDAARM C[C@@H](CC(=O)[O-])NC(=O)C1CCCCC1 ZINC000036966811 343328658 /nfs/dbraw/zinc/32/86/58/343328658.db2.gz RDQVGLDLIKZCOJ-QMMMGPOBSA-N -1 0 213.277 1.546 50 0 BDAARM O=C([O-])[C@H](/C=C/c1ccccc1)N1CCOCC1 ZINC000035287473 343292805 /nfs/dbraw/zinc/29/28/05/343292805.db2.gz OPCJIPPCYHIRCL-YBJDMEARSA-N -1 0 247.294 1.485 50 0 BDAARM O=C([O-])c1coc(NC(=O)c2ccccc2)n1 ZINC000038478250 343375177 /nfs/dbraw/zinc/37/51/77/343375177.db2.gz FLIUMGQTZWOQON-UHFFFAOYSA-N -1 0 232.195 1.625 50 0 BDAARM O=C([O-])[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000038589744 343377372 /nfs/dbraw/zinc/37/73/72/343377372.db2.gz QQVADMMBTIQOOR-NSHDSACASA-N -1 0 233.267 1.510 50 0 BDAARM Nc1cccc(-c2nccn2CC(=O)[O-])c1 ZINC000040907178 343410838 /nfs/dbraw/zinc/41/08/38/343410838.db2.gz ZMCIUPRLOYUAOS-UHFFFAOYSA-N -1 0 217.228 1.217 50 0 BDAARM Nc1cc(-c2n[nH]c(=O)[n-]2)cc(C(F)(F)F)c1 ZINC000042040296 343428128 /nfs/dbraw/zinc/42/81/28/343428128.db2.gz KHJLSDSIZMEPMS-UHFFFAOYSA-N -1 0 244.176 1.366 50 0 BDAARM CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)[O-] ZINC000043642229 343479476 /nfs/dbraw/zinc/47/94/76/343479476.db2.gz IFAMSTPTNRJBRG-VGMNWLOBSA-N -1 0 241.287 1.859 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)[O-] ZINC000044137748 343492996 /nfs/dbraw/zinc/49/29/96/343492996.db2.gz TXFHSATYMSUPRM-SFYZADRCSA-N -1 0 245.275 1.001 50 0 BDAARM COC(=O)CC[C@@]1(C(=O)[O-])CCOC(C)(C)C1 ZINC000000517485 346958921 /nfs/dbraw/zinc/95/89/21/346958921.db2.gz FSWYXELJGWZSDY-GFCCVEGCSA-N -1 0 244.287 1.600 50 0 biogenic BDAARM [NH3+][C@@H](C(=O)[O-])c1ccc(CCCC(=O)[O-])s1 ZINC000000518739 346959829 /nfs/dbraw/zinc/95/98/29/346959829.db2.gz FAGCMZWUGYFFLT-SECBINFHSA-N -1 0 243.284 1.240 50 0 biogenic BDAARM O=C1[N-]C(=O)NC(c2c[nH]c3ccccc32)N1 ZINC000000546834 346996941 /nfs/dbraw/zinc/99/69/41/346996941.db2.gz YDIFXNBCIPGCQK-UHFFFAOYSA-N -1 0 230.227 1.189 50 0 BDAARM CCOCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000078680028 344101534 /nfs/dbraw/zinc/10/15/34/344101534.db2.gz SFKBSHLRLKFMHB-QMMMGPOBSA-N -1 0 247.291 1.391 50 0 BDAARM CC(C)(C)OC(=O)N1CC2(C(=O)[O-])CC1C2 ZINC000080778572 344133639 /nfs/dbraw/zinc/13/36/39/344133639.db2.gz YAUYMBIICLFXOX-UHFFFAOYSA-N -1 0 227.260 1.471 50 0 BDAARM COC[C@@H]1C[C@]1(C(=O)[O-])c1ccccc1 ZINC000072233317 344518564 /nfs/dbraw/zinc/51/85/64/344518564.db2.gz AKJQYQQOUSQYDX-JQWIXIFHSA-N -1 0 206.241 1.675 50 0 BDAARM Cc1cc(=O)n(CC(=O)[O-])c2ccccc12 ZINC000000380285 344806529 /nfs/dbraw/zinc/80/65/29/344806529.db2.gz VKKWCKNFSMMXJZ-UHFFFAOYSA-N -1 0 217.224 1.395 50 0 biogenic,in-vivo BDAARM CC(C)(C)c1nnc(NC2CCCC2)[n-]c1=O ZINC000005154503 344981189 /nfs/dbraw/zinc/98/11/89/344981189.db2.gz HBTZSQOCHYGVFL-UHFFFAOYSA-N -1 0 236.319 1.817 50 0 BDAARM Cc1ccc2nc(CCC(=O)[O-])cn2c1 ZINC000019931909 178974052 /nfs/dbraw/zinc/97/40/52/178974052.db2.gz QLMYOTVXGQPGAP-UHFFFAOYSA-N -1 0 204.229 1.660 50 0 BDAARM Cc1cccc(C2(C(=O)NCC(=O)[O-])CC2)c1 ZINC000262659243 179050531 /nfs/dbraw/zinc/05/05/31/179050531.db2.gz TYJKOKOCUJYPBW-UHFFFAOYSA-N -1 0 233.267 1.227 50 0 BDAARM CC(=O)CSc1ccc(C(=O)[O-])cn1 ZINC000000481446 346417448 /nfs/dbraw/zinc/41/74/48/346417448.db2.gz LRBIKSYRCFHKBN-UHFFFAOYSA-N -1 0 211.242 1.461 50 0 BDAARM Cc1cccc(Cn2cccc(C(=O)[O-])c2=O)c1 ZINC000008769010 179110024 /nfs/dbraw/zinc/11/00/24/179110024.db2.gz UUOJFUONBLNEEP-UHFFFAOYSA-N -1 0 243.262 1.903 50 0 BDAARM CCCCCCSc1n[nH]c(=O)[n-]c1=O ZINC000017020189 347226532 /nfs/dbraw/zinc/22/65/32/347226532.db2.gz ZFPJRLCQXKEIDD-UHFFFAOYSA-N -1 0 229.305 1.543 50 0 BDAARM Cc1cccc2c(=O)cc(C(=O)[O-])oc12 ZINC000000381741 179208072 /nfs/dbraw/zinc/20/80/72/179208072.db2.gz PGSGLTSKIQNWBG-UHFFFAOYSA-N -1 0 204.181 1.800 50 0 BDAARM Cc1cccc2c1cnn2C(=O)CCC(=O)[O-] ZINC000006749987 179225938 /nfs/dbraw/zinc/22/59/38/179225938.db2.gz NODBZEADMWBYSU-UHFFFAOYSA-N -1 0 232.239 1.850 50 0 BDAARM Cc1ccccc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097009372 179250445 /nfs/dbraw/zinc/25/04/45/179250445.db2.gz ACDCIGNJWLEXTH-GHMZBOCLSA-N -1 0 247.294 1.978 50 0 BDAARM Cc1csc(=O)n1CCCC(=O)[O-] ZINC000004206847 179762196 /nfs/dbraw/zinc/76/21/96/179762196.db2.gz DYRYBHFPOZKIQX-UHFFFAOYSA-N -1 0 201.247 1.083 50 0 BDAARM COCc1cc(/C=C/C(=O)[O-])ccc1OC ZINC000006380276 190976717 /nfs/dbraw/zinc/97/67/17/190976717.db2.gz BKDFDLLRXKPDKI-GQCTYLIASA-N -1 0 222.240 1.939 50 0 BDAARM Cc1nc(N2CCCC2)[n-]c(=O)c1Cl ZINC000085389265 180000509 /nfs/dbraw/zinc/00/05/09/180000509.db2.gz QNWRWEJRISHPKU-UHFFFAOYSA-N -1 0 213.668 1.332 50 0 BDAARM C[C@@H]1CC/C(=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000390832653 350131984 /nfs/dbraw/zinc/13/19/84/350131984.db2.gz YMSJQPORZATALT-XMZCBSEDSA-N -1 0 237.299 1.666 50 0 BDAARM Cc1nc2cc(CC(=O)[O-])ccc2n1C ZINC000031893054 180078565 /nfs/dbraw/zinc/07/85/65/180078565.db2.gz UTADKLDHTYMJFP-UHFFFAOYSA-N -1 0 204.229 1.509 50 0 BDAARM Cc1nc2cc(CCC(=O)[O-])ccc2n(C)c1=O ZINC000066444935 180078633 /nfs/dbraw/zinc/07/86/33/180078633.db2.gz PFALMQVOXOIMHL-UHFFFAOYSA-N -1 0 246.266 1.259 50 0 BDAARM CC(C)CNC(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256603 538058011 /nfs/dbraw/zinc/05/80/11/538058011.db2.gz XLDQFKCJYJNCJK-UHFFFAOYSA-N -1 0 227.220 1.150 50 0 BDAARM Cc1nc2n(n1)[C@H](c1ccco1)CC(C(=O)[O-])=N2 ZINC000019962525 180114039 /nfs/dbraw/zinc/11/40/39/180114039.db2.gz ZWIZRQWXHDAFCB-QMMMGPOBSA-N -1 0 246.226 1.163 50 0 BDAARM O=C([O-])[C@H]1CSCN1Cc1cccs1 ZINC000040449121 350365241 /nfs/dbraw/zinc/36/52/41/350365241.db2.gz PYKWXZZVBULGFX-MRVPVSSYSA-N -1 0 229.326 1.708 50 0 BDAARM O=C([O-])[C@@H]1C(=O)NC[C@@H]1c1ccccc1Cl ZINC000040449447 350365265 /nfs/dbraw/zinc/36/52/65/350365265.db2.gz MLVZUUPFXGUZTA-APPZFPTMSA-N -1 0 239.658 1.254 50 0 BDAARM Cc1nc(-c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000061811272 180394379 /nfs/dbraw/zinc/39/43/79/180394379.db2.gz LBLKYLOSXMVJQJ-UHFFFAOYSA-N -1 0 203.201 1.478 50 0 BDAARM CSc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1 ZINC000012410511 350582226 /nfs/dbraw/zinc/58/22/26/350582226.db2.gz XTMVUGQFVUETDJ-RMKNXTFCSA-N -1 0 234.280 1.589 50 0 BDAARM C/C(=C\C(=O)NC1CCCCC1)C(=O)[O-] ZINC000004652055 191119253 /nfs/dbraw/zinc/11/92/53/191119253.db2.gz OCXPSYJTNZLQRY-BQYQJAHWSA-N -1 0 211.261 1.466 50 0 BDAARM [NH3+][C@H](CCCCCC(=O)[O-])CCCCC(=O)[O-] ZINC000002839272 363080290 /nfs/dbraw/zinc/08/02/90/363080290.db2.gz XYDQDGJOQQAPIM-SNVBAGLBSA-N -1 0 245.319 1.994 50 0 biogenic,in-vitro BDAARM Cn1cc(C(=O)[O-])c(=O)c2cccc(Cl)c21 ZINC000026507965 180635540 /nfs/dbraw/zinc/63/55/40/180635540.db2.gz FLZGJQGPLODDNY-UHFFFAOYSA-N -1 0 237.642 1.890 50 0 BDAARM O=C([O-])c1cnn2c1nccc2-c1cccnc1 ZINC000039282174 363149959 /nfs/dbraw/zinc/14/99/59/363149959.db2.gz LVOBEKFMKUBUJU-UHFFFAOYSA-N -1 0 240.222 1.490 50 0 BDAARM CC(C)(NC(=O)c1ccco1)C(C)(C)C(=O)[O-] ZINC000087621928 187798657 /nfs/dbraw/zinc/79/86/57/187798657.db2.gz TTWOQDMLTVMSMU-UHFFFAOYSA-N -1 0 239.271 1.899 50 0 BDAARM Cn1nccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002534237 180832629 /nfs/dbraw/zinc/83/26/29/180832629.db2.gz MHTFCEMVYRGTMO-UHFFFAOYSA-N -1 0 245.238 1.371 50 0 BDAARM Cn1nccc1[C@H](NCc1ccccc1)C(=O)[O-] ZINC000328579474 180853178 /nfs/dbraw/zinc/85/31/78/180853178.db2.gz KGVAHQVYPZAYGJ-LBPRGKRZSA-N -1 0 245.282 1.336 50 0 BDAARM COc1ccc(Br)c(C(=O)[O-])c1N ZINC000040226017 188473532 /nfs/dbraw/zinc/47/35/32/188473532.db2.gz HMCXJHVLOBBQJV-UHFFFAOYSA-N -1 0 246.060 1.738 50 0 BDAARM CCCn1nc(C)cc1NC(=O)CCC(=O)[O-] ZINC000032508850 355502869 /nfs/dbraw/zinc/50/28/69/355502869.db2.gz OXUHHQHHFPSAKM-UHFFFAOYSA-N -1 0 239.275 1.405 50 0 BDAARM CCN(c1ccccc1)[C@H]1SC(=O)[N-]C1=O ZINC000001202638 355937784 /nfs/dbraw/zinc/93/77/84/355937784.db2.gz UACJGZVMQCSPJC-JTQLQIEISA-N -1 0 236.296 1.822 50 0 BDAARM CCN(c1ccccc1)[C@@H]1SC(=O)[N-]C1=O ZINC000001202635 355938142 /nfs/dbraw/zinc/93/81/42/355938142.db2.gz UACJGZVMQCSPJC-SNVBAGLBSA-N -1 0 236.296 1.822 50 0 BDAARM O=C([O-])CNC(=O)/C=C/c1cccc(F)c1 ZINC000004542922 356362600 /nfs/dbraw/zinc/36/26/00/356362600.db2.gz QKHQWNAXUXNCIV-SNAWJCMRSA-N -1 0 223.203 1.040 50 0 BDAARM O=C([O-])c1ccc(Nc2ccncn2)cc1 ZINC000040862631 356370651 /nfs/dbraw/zinc/37/06/51/356370651.db2.gz FKECEBLGXULLNS-UHFFFAOYSA-N -1 0 215.212 1.918 50 0 BDAARM Cn1cc(-c2noc(C(F)F)c2C(=O)[O-])cn1 ZINC000675057924 538481012 /nfs/dbraw/zinc/48/10/12/538481012.db2.gz RUZUIKDZMORBEK-UHFFFAOYSA-N -1 0 243.169 1.711 50 0 BDAARM O=C([O-])c1ncc([C@H]2CCCC(=O)C2)cn1 ZINC000675069200 538498110 /nfs/dbraw/zinc/49/81/10/538498110.db2.gz CUYUDFKRKZXRIA-ZETCQYMHSA-N -1 0 220.228 1.402 50 0 BDAARM COc1ccccc1-c1cnc(C(=O)[O-])nc1 ZINC000221829850 538570395 /nfs/dbraw/zinc/57/03/95/538570395.db2.gz GJCDLRWDGKOEAN-UHFFFAOYSA-N -1 0 230.223 1.850 50 0 BDAARM CCOC(=O)c1c([O-])[nH]c(=O)c2ccccc21 ZINC000075286006 356939343 /nfs/dbraw/zinc/93/93/43/356939343.db2.gz FTESIKPAAACUBW-UHFFFAOYSA-N -1 0 233.223 1.410 50 0 BDAARM O=C([O-])c1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000035347688 357191573 /nfs/dbraw/zinc/19/15/73/357191573.db2.gz CULSPULJHWRVMC-LLVKDONJSA-N -1 0 249.266 1.294 50 0 BDAARM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)[O-] ZINC000237531938 357197337 /nfs/dbraw/zinc/19/73/37/357197337.db2.gz BPZCEEJRYFYWHQ-JTNHKYCSSA-N -1 0 249.310 1.922 50 0 BDAARM O=C([O-])CNC(=O)c1cccc(C2CC2)c1 ZINC000582676567 357364018 /nfs/dbraw/zinc/36/40/18/357364018.db2.gz IIGDWMSMIOTTLA-UHFFFAOYSA-N -1 0 219.240 1.378 50 0 BDAARM C[C@H](OC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000160492996 538884812 /nfs/dbraw/zinc/88/48/12/538884812.db2.gz JYRPSTXKCHEJTB-DTWKUNHWSA-N -1 0 238.239 1.316 50 0 BDAARM O=C([O-])[C@@H]1Cc2ccccc2O[C@@H]1C(F)F ZINC000685939315 538886164 /nfs/dbraw/zinc/88/61/64/538886164.db2.gz QYIUGQOEDXBLHI-APPZFPTMSA-N -1 0 228.194 1.956 50 0 BDAARM COc1cc(CCC(=O)[O-])cc(OC)c1O ZINC000002566012 358160769 /nfs/dbraw/zinc/16/07/69/358160769.db2.gz BPPVOXVSMSXBEI-UHFFFAOYSA-N -1 0 226.228 1.427 50 0 endogenous,in-man BDAARM O=C([O-])c1ccc(OCC(F)(F)F)o1 ZINC000050907413 358739658 /nfs/dbraw/zinc/73/96/58/358739658.db2.gz MQWKLOOOISDCSF-UHFFFAOYSA-N -1 0 210.107 1.919 50 0 BDAARM CC(C)(C)OC(=O)NCc1ocnc1C(=O)[O-] ZINC000584883721 541307023 /nfs/dbraw/zinc/30/70/23/541307023.db2.gz RJAKCLRRDWLVNV-UHFFFAOYSA-N -1 0 242.231 1.398 50 0 BDAARM CC(C)[C@H](C)C(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256624 541411646 /nfs/dbraw/zinc/41/16/46/541411646.db2.gz YHDWRJQSWDVYHN-LURJTMIESA-N -1 0 226.232 1.603 50 0 BDAARM CC(C)Cc1onc(-c2ncc[nH]2)c1C(=O)[O-] ZINC000675057384 541463115 /nfs/dbraw/zinc/46/31/15/541463115.db2.gz FEVQSHCENFLSGY-UHFFFAOYSA-N -1 0 235.243 1.961 50 0 BDAARM CCOc1ccccc1C(=O)NCCC(=O)[O-] ZINC000002438361 370840816 /nfs/dbraw/zinc/84/08/16/370840816.db2.gz HDEDNCHKAKBPHH-UHFFFAOYSA-N -1 0 237.255 1.290 50 0 BDAARM O=C([O-])C1=NC(=O)N[C@H](C2CCCCC2)C1 ZINC000034482669 368374751 /nfs/dbraw/zinc/37/47/51/368374751.db2.gz HPVDCFLHYWZQCI-QMMMGPOBSA-N -1 0 224.260 1.217 50 0 BDAARM O=c1[nH]c(=S)[nH]c([O-])c1Cc1ccccc1 ZINC000018168770 369569803 /nfs/dbraw/zinc/56/98/03/369569803.db2.gz AXCSOXZEMYWNPS-UHFFFAOYSA-N -1 0 234.280 1.729 50 0 BDAARM Cc1nc2[n-]c(CC(C)C)nn2c(=O)c1C ZINC000018221982 371067177 /nfs/dbraw/zinc/06/71/77/371067177.db2.gz CWQHTIIVDGNWED-UHFFFAOYSA-N -1 0 220.276 1.233 50 0 BDAARM N[C@](C(=O)[O-])(c1ccccc1)C(F)(F)F ZINC000039021776 181661512 /nfs/dbraw/zinc/66/15/12/181661512.db2.gz FUPRWUOOEKSLDF-QMMMGPOBSA-N -1 0 219.162 1.488 50 0 BDAARM Nc1cccc(C(F)(F)F)c1C(=O)[O-] ZINC000000153907 181742022 /nfs/dbraw/zinc/74/20/22/181742022.db2.gz XZBQDBWIRHIZGJ-UHFFFAOYSA-N -1 0 205.135 1.986 50 0 BDAARM COC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000003193314 371909747 /nfs/dbraw/zinc/90/97/47/371909747.db2.gz HSWUHQDKWKSGOA-UHFFFAOYSA-N -1 0 211.173 1.269 50 0 BDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(O)c1 ZINC000004110032 372144271 /nfs/dbraw/zinc/14/42/71/372144271.db2.gz LGDPMGQENSRRCF-BDAKNGLRSA-N -1 0 221.212 1.051 50 0 BDAARM O=C(C[C@H]1CCCO1)NC1(C(=O)[O-])CCCC1 ZINC000106909639 182028196 /nfs/dbraw/zinc/02/81/96/182028196.db2.gz YUDGBVUMCPOASI-SECBINFHSA-N -1 0 241.287 1.069 50 0 BDAARM O=C(NC1CC1)c1ccc([O-])c(Cl)c1 ZINC000019837209 182100362 /nfs/dbraw/zinc/10/03/62/182100362.db2.gz SJLROIDRFBSXQK-UHFFFAOYSA-N -1 0 211.648 1.938 50 0 BDAARM O=C(NC1CCCCC1)c1n[n-][nH]c1=S ZINC000006760958 182114573 /nfs/dbraw/zinc/11/45/73/182114573.db2.gz JRUIEVUSJMRVMQ-UHFFFAOYSA-N -1 0 226.305 1.156 50 0 BDAARM CCCCC(=O)Nc1nn2c([n-]1)nc(C)cc2=O ZINC000009202635 373567665 /nfs/dbraw/zinc/56/76/65/373567665.db2.gz OYYQRUIFEDKSNV-UHFFFAOYSA-N -1 0 249.274 1.267 50 0 BDAARM CC[C@@H](C(=O)[O-])[S@](=O)c1ccccc1 ZINC000040955173 373966765 /nfs/dbraw/zinc/96/67/65/373966765.db2.gz JRSLIZYFMPWEEY-XPTSAGLGSA-N -1 0 212.270 1.657 50 0 BDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)OCc1ccccc1 ZINC000100030709 182317358 /nfs/dbraw/zinc/31/73/58/182317358.db2.gz OBTCPLYMKZBZTO-XYPYZODXSA-N -1 0 249.266 1.776 50 0 BDAARM O=C(N[C@H]1CCc2ccc(F)cc21)c1cn[nH]n1 ZINC000069812057 182341187 /nfs/dbraw/zinc/34/11/87/182341187.db2.gz PJTNBFWPOYNYBX-JTQLQIEISA-N -1 0 246.245 1.361 50 0 BDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccn2)C1 ZINC000071405200 182382124 /nfs/dbraw/zinc/38/21/24/182382124.db2.gz ABPQPZVEEIOCGY-DTWKUNHWSA-N -1 0 234.255 1.521 50 0 BDAARM O=C([O-])C(=O)Cc1ccc2ccccc2n1 ZINC000001556239 182416207 /nfs/dbraw/zinc/41/62/07/182416207.db2.gz PBCZPMGLYKFSIF-UHFFFAOYSA-N -1 0 215.208 1.431 50 0 BDAARM O=C([O-])/C=C/C(=O)n1cnc2ccccc21 ZINC000000510033 182410028 /nfs/dbraw/zinc/41/00/28/182410028.db2.gz GBACTRJWNJUBMH-AATRIKPKSA-N -1 0 216.196 1.317 50 0 BDAARM O=C([O-])/C=C/c1cn(Cc2ccccc2)nn1 ZINC000004218444 182412406 /nfs/dbraw/zinc/41/24/06/182412406.db2.gz JDPGYHKBJBNOBV-VOTSOKGWSA-N -1 0 229.239 1.424 50 0 BDAARM O=C([O-])C(=O)c1c[nH]c2nc(Cl)ccc12 ZINC000072323936 182421574 /nfs/dbraw/zinc/42/15/74/182421574.db2.gz CMXMHPLAGXRIMB-UHFFFAOYSA-N -1 0 224.603 1.484 50 0 BDAARM O=C([O-])CCCNC(=O)[C@H]1CC=CCC1 ZINC000019517970 182439598 /nfs/dbraw/zinc/43/95/98/182439598.db2.gz NRBQTIYXSTVFTD-VIFPVBQESA-N -1 0 211.261 1.324 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccccc1O ZINC000000261086 182433285 /nfs/dbraw/zinc/43/32/85/182433285.db2.gz KHPAYIYVNRVFCK-UHFFFAOYSA-N -1 0 209.201 1.196 50 0 BDAARM O=C([O-])CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000020217134 182442305 /nfs/dbraw/zinc/44/23/05/182442305.db2.gz XNEGUTSSQSNXMQ-UHFFFAOYSA-N -1 0 220.228 1.264 50 0 BDAARM O=C([O-])CCc1ncccc1Br ZINC000083326725 182456197 /nfs/dbraw/zinc/45/61/97/182456197.db2.gz CDGCPSMHRTXCRI-UHFFFAOYSA-N -1 0 230.061 1.861 50 0 BDAARM O=C([O-])CN1C(=O)c2cccc3cccc1c23 ZINC000000128288 182461550 /nfs/dbraw/zinc/46/15/50/182461550.db2.gz CXOJEFXQICMXBG-UHFFFAOYSA-N -1 0 227.219 1.885 50 0 BDAARM O=C([O-])Cn1nc(-c2cccc(F)c2)ccc1=O ZINC000070458858 182498419 /nfs/dbraw/zinc/49/84/19/182498419.db2.gz BZEVTOJBCRAPFD-UHFFFAOYSA-N -1 0 248.213 1.134 50 0 BDAARM O=C([O-])[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000008699039 182529571 /nfs/dbraw/zinc/52/95/71/182529571.db2.gz CQFSYUVJYISMEO-NSHDSACASA-N -1 0 239.246 1.284 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000238851176 182520988 /nfs/dbraw/zinc/52/09/88/182520988.db2.gz FRLOYHRLDJWDJX-AXFHLTTASA-N -1 0 247.298 1.699 50 0 BDAARM 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O=C([O-])c1cccnc1OCC(F)(F)F ZINC000012997612 182583273 /nfs/dbraw/zinc/58/32/73/182583273.db2.gz HNTZJRQSJJHBLG-UHFFFAOYSA-N -1 0 221.134 1.721 50 0 BDAARM O=C([O-])c1cn2c3c(cccc3c1=O)CCC2 ZINC000001459494 182587985 /nfs/dbraw/zinc/58/79/85/182587985.db2.gz VQLDRXZBNUFGIY-UHFFFAOYSA-N -1 0 229.235 1.646 50 0 BDAARM O=C([O-])c1cnc(F)c(Br)c1 ZINC000039326028 182589783 /nfs/dbraw/zinc/58/97/83/182589783.db2.gz VZBMIACXKWJDNS-UHFFFAOYSA-N -1 0 219.997 1.681 50 0 BDAARM O=C([O-])c1noc(-c2cccc(F)c2)n1 ZINC000071047905 182597329 /nfs/dbraw/zinc/59/73/29/182597329.db2.gz DVGNFJFKBUFVGF-UHFFFAOYSA-N -1 0 208.148 1.574 50 0 BDAARM O=C([O-])c1nnn(-c2ccccc2F)c1C1CC1 ZINC000011888059 182597534 /nfs/dbraw/zinc/59/75/34/182597534.db2.gz NZOLNTQGSPIENN-UHFFFAOYSA-N -1 0 247.229 1.982 50 0 BDAARM CCCCOCC(=O)N[C@@](C)(CCC)C(=O)[O-] ZINC000095424458 168891545 /nfs/dbraw/zinc/89/15/45/168891545.db2.gz JTCLXJIAOZGIHO-LBPRGKRZSA-N -1 0 245.319 1.563 50 0 BDAARM O=C([O-])C1=NC(=O)N[C@H](c2ccccc2)C1 ZINC000003311136 182795784 /nfs/dbraw/zinc/79/57/84/182795784.db2.gz JAGRUSXXRNCWLX-QMMMGPOBSA-N -1 0 218.212 1.009 50 0 BDAARM CCCCc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000004704048 169019160 /nfs/dbraw/zinc/01/91/60/169019160.db2.gz XYMCCKPXPUPPSC-UHFFFAOYSA-N -1 0 235.283 1.844 50 0 BDAARM O=c1nc(CN2CCCC2)[n-]c2ccsc21 ZINC000035267937 183308385 /nfs/dbraw/zinc/30/83/85/183308385.db2.gz XXEDAFADXQXDFB-UHFFFAOYSA-N -1 0 235.312 1.993 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc(F)cc1F ZINC000000031539 383819100 /nfs/dbraw/zinc/81/91/00/383819100.db2.gz CVKGMFQQBVZJKC-UHFFFAOYSA-N -1 0 229.182 1.768 50 0 BDAARM CC(C)(C)C(=O)Nc1ncc(F)cc1C(=O)[O-] ZINC000066054238 383844307 /nfs/dbraw/zinc/84/43/07/383844307.db2.gz YEIHHQAWOHUOPF-UHFFFAOYSA-N -1 0 240.234 1.904 50 0 BDAARM CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000000399446 383864556 /nfs/dbraw/zinc/86/45/56/383864556.db2.gz HLORMWAKCPDIPU-JTQLQIEISA-N -1 0 241.674 1.472 50 0 BDAARM Cc1nc(-c2cnn(C)c2)sc1C(=O)[O-] ZINC000036928993 383921325 /nfs/dbraw/zinc/92/13/25/383921325.db2.gz NSJBEOGHKCBXCE-UHFFFAOYSA-N -1 0 223.257 1.550 50 0 BDAARM CCCc1nnc2c(C(=O)[O-])cccn12 ZINC000036241189 383890899 /nfs/dbraw/zinc/89/08/99/383890899.db2.gz LYWFOVMQGYHPKB-UHFFFAOYSA-N -1 0 205.217 1.380 50 0 BDAARM CCc1ccc(NC(C)=O)c(C(=O)[O-])c1 ZINC000002861006 383990396 /nfs/dbraw/zinc/99/03/96/383990396.db2.gz IDPVIUVCXWRXOL-UHFFFAOYSA-N -1 0 207.229 1.906 50 0 BDAARM O=C([O-])CCC(=O)Nc1ccc(Cl)cn1 ZINC000003074601 383995257 /nfs/dbraw/zinc/99/52/57/383995257.db2.gz QQIDLXZIPGBDSP-UHFFFAOYSA-N -1 0 228.635 1.538 50 0 BDAARM CN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccs1 ZINC000068576337 383998542 /nfs/dbraw/zinc/99/85/42/383998542.db2.gz QKMBIOAOPNQEAH-OIBJUYFYSA-N -1 0 239.296 1.742 50 0 BDAARM CC(C)[C@H](NC(=O)c1ccccc1)c1nnn[n-]1 ZINC000068575446 383999195 /nfs/dbraw/zinc/99/91/95/383999195.db2.gz KOOWKGMZVBVLTH-JTQLQIEISA-N -1 0 245.286 1.327 50 0 BDAARM O=C([O-])CCCCCN1C(=O)CCCC1=O ZINC000002398460 383961539 /nfs/dbraw/zinc/96/15/39/383961539.db2.gz NNQVXEGUXLFWMN-UHFFFAOYSA-N -1 0 227.260 1.171 50 0 BDAARM O=C([O-])/C=C/c1nnc2c3ccccc3cnn12 ZINC000003441774 384011711 /nfs/dbraw/zinc/01/17/11/384011711.db2.gz NRSAJIMYAZUABV-AATRIKPKSA-N -1 0 240.222 1.375 50 0 BDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccco1 ZINC000004218847 384048100 /nfs/dbraw/zinc/04/81/00/384048100.db2.gz TUMPYVWHXLSDJY-CBAPKCEASA-N -1 0 241.268 1.327 50 0 BDAARM O=C([O-])CNc1ncnc2cc(Cl)ccc21 ZINC000004294380 384052532 /nfs/dbraw/zinc/05/25/32/384052532.db2.gz AUBGIDWHGKYTLJ-UHFFFAOYSA-N -1 0 237.646 1.780 50 0 BDAARM COC(=O)c1cc(=O)c2cc(OC)ccc2[n-]1 ZINC000004344194 384056752 /nfs/dbraw/zinc/05/67/52/384056752.db2.gz KDMHMHBQWSJHSI-UHFFFAOYSA-N -1 0 233.223 1.323 50 0 BDAARM C[C@@H]1C[C@H](C(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000004657269 384071904 /nfs/dbraw/zinc/07/19/04/384071904.db2.gz QRBDCVYZAXZQLN-INEUFUBQSA-N -1 0 231.202 1.592 50 0 BDAARM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)[O-])C1 ZINC000091304804 384117600 /nfs/dbraw/zinc/11/76/00/384117600.db2.gz YHMUQYORLLKZHP-ZETCQYMHSA-N -1 0 227.260 1.328 50 0 BDAARM COC(=O)c1ccccc1CCC(=O)[O-] ZINC000038762327 384093448 /nfs/dbraw/zinc/09/34/48/384093448.db2.gz RRQCXVACIPBWHE-UHFFFAOYSA-N -1 0 208.213 1.490 50 0 BDAARM Cc1ccc(N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)nn1 ZINC000091551082 384133803 /nfs/dbraw/zinc/13/38/03/384133803.db2.gz NKVKCYWYDGZVDX-WDEREUQCSA-N -1 0 249.314 1.578 50 0 BDAARM CC1N=NC(=S)N1c1ccc(C(=O)[O-])cc1 ZINC000005571466 384121121 /nfs/dbraw/zinc/12/11/21/384121121.db2.gz BIFVGGXTURULTA-UHFFFAOYSA-N -1 0 235.268 1.563 50 0 BDAARM C[C@]1(c2ccccc2)N[C@H](C(=O)[O-])CS1 ZINC000005722522 384128315 /nfs/dbraw/zinc/12/83/15/384128315.db2.gz RZSNENYNJZGAPV-ONGXEEELSA-N -1 0 223.297 1.649 50 0 BDAARM CC(C)N1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccnc1 ZINC000040162933 384128992 /nfs/dbraw/zinc/12/89/92/384128992.db2.gz AWUYFGAFMDHVRA-CMPLNLGQSA-N -1 0 248.282 1.464 50 0 biogenic BDAARM O=C([O-])c1ccnn1CCC(F)(F)F ZINC000070914224 384140344 /nfs/dbraw/zinc/14/03/44/384140344.db2.gz LQTIZFMDLWJRNY-UHFFFAOYSA-N -1 0 208.139 1.534 50 0 BDAARM Cc1ccc(F)c(NC(=O)CCC(=O)[O-])c1 ZINC000006742332 384165273 /nfs/dbraw/zinc/16/52/73/384165273.db2.gz CHWRAGGSWHBHFW-UHFFFAOYSA-N -1 0 225.219 1.937 50 0 BDAARM Cc1cc(C(F)(F)F)cc(N(C)CC(=O)[O-])n1 ZINC000071873557 384184981 /nfs/dbraw/zinc/18/49/81/384184981.db2.gz BHYQTAYYXGCSRH-UHFFFAOYSA-N -1 0 248.204 1.930 50 0 BDAARM O=C([O-])CSc1nc2ccccc2c(=O)[nH]1 ZINC000008673116 384206497 /nfs/dbraw/zinc/20/64/97/384206497.db2.gz MVJSWCZVASBMCH-UHFFFAOYSA-N -1 0 236.252 1.512 50 0 BDAARM C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000009420925 384248490 /nfs/dbraw/zinc/24/84/90/384248490.db2.gz GLMNAEZCOPCAGN-ZETCQYMHSA-N -1 0 232.239 1.371 50 0 BDAARM CCOCCOc1ccc(C(=O)[O-])cc1 ZINC000009826402 384264687 /nfs/dbraw/zinc/26/46/87/384264687.db2.gz APCMOTIDHJISLL-UHFFFAOYSA-N -1 0 210.229 1.800 50 0 BDAARM C/C=C(\C)C(=O)N(CC)C[C@H](C)C(=O)[O-] ZINC000097036011 384294013 /nfs/dbraw/zinc/29/40/13/384294013.db2.gz UQHMDPIIQBTKPY-QRJSTWQJSA-N -1 0 213.277 1.522 50 0 BDAARM Cc1cc(C(=O)[O-])nc(N2CCCC2)n1 ZINC000011729707 384294416 /nfs/dbraw/zinc/29/44/16/384294416.db2.gz KVXSNQUEKAVHCN-UHFFFAOYSA-N -1 0 207.233 1.083 50 0 BDAARM Cc1sc(C(=O)[O-])cc1CS(C)(=O)=O ZINC000075772277 384335952 /nfs/dbraw/zinc/33/59/52/384335952.db2.gz QQXAMBWDNXSHOB-UHFFFAOYSA-N -1 0 234.298 1.299 50 0 BDAARM O=C([O-])C=Cc1nc2ccccc2[nH]c1=O ZINC000013140644 384348485 /nfs/dbraw/zinc/34/84/85/384348485.db2.gz HMYGHKLPRIZCFM-WAYWQWQTSA-N -1 0 216.196 1.433 50 0 BDAARM O=C([O-])c1ncc(Br)cc1O ZINC000045028250 384370058 /nfs/dbraw/zinc/37/00/58/384370058.db2.gz KNYSNNRQXSFAGE-UHFFFAOYSA-N -1 0 218.006 1.248 50 0 BDAARM O=C([O-])C1(c2ccc(Cl)nc2)CCOCC1 ZINC000095835415 384403102 /nfs/dbraw/zinc/40/31/02/384403102.db2.gz KJPKKSKPJHUFPA-UHFFFAOYSA-N -1 0 241.674 1.868 50 0 BDAARM O=C([O-])CCNc1nc(Cl)ncc1F ZINC000095470849 384377186 /nfs/dbraw/zinc/37/71/86/384377186.db2.gz SAEXTIOQQLHLBI-UHFFFAOYSA-N -1 0 219.603 1.156 50 0 BDAARM CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)[O-])C1 ZINC000095627576 384382151 /nfs/dbraw/zinc/38/21/51/384382151.db2.gz WRDLRBISLUXLKZ-IUCAKERBSA-N -1 0 241.287 1.931 50 0 BDAARM Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)[O-] ZINC000014113228 384385031 /nfs/dbraw/zinc/38/50/31/384385031.db2.gz PNZJOOFYNBPDNM-UXBLZVDNSA-N -1 0 248.217 1.203 50 0 BDAARM Cc1ccc([C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000016739309 384468153 /nfs/dbraw/zinc/46/81/53/384468153.db2.gz IEXNONCNAKPQBL-LBPRGKRZSA-N -1 0 235.283 1.453 50 0 BDAARM O=C([O-])CCn1cc(Br)ccc1=O ZINC000019400963 384518422 /nfs/dbraw/zinc/51/84/22/384518422.db2.gz JNSJIXFQKHIHBI-UHFFFAOYSA-N -1 0 246.060 1.086 50 0 BDAARM Cc1cccc(CS(=O)(=O)CCC(=O)[O-])c1 ZINC000019432802 384523247 /nfs/dbraw/zinc/52/32/47/384523247.db2.gz MCIAXWRVBGSKAF-UHFFFAOYSA-N -1 0 242.296 1.385 50 0 BDAARM O=C([O-])CSc1ccc(Cl)cn1 ZINC000019435855 384523280 /nfs/dbraw/zinc/52/32/80/384523280.db2.gz CHEUONGTEQYFHU-UHFFFAOYSA-N -1 0 203.650 1.912 50 0 BDAARM O=C([O-])c1cc(F)c(N2CCOCC2)cc1F ZINC000098210485 384603963 /nfs/dbraw/zinc/60/39/63/384603963.db2.gz FHZWGXCSLFMTNO-UHFFFAOYSA-N -1 0 243.209 1.500 50 0 BDAARM CCc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000020281312 384609709 /nfs/dbraw/zinc/60/97/09/384609709.db2.gz RBDGGOFJVGYIEY-SNVBAGLBSA-N -1 0 233.267 1.687 50 0 BDAARM CNC(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000020271498 384610644 /nfs/dbraw/zinc/61/06/44/384610644.db2.gz DPBKEHKMLPTJFE-QPJJXVBHSA-N -1 0 205.213 1.144 50 0 BDAARM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000020284580 384611136 /nfs/dbraw/zinc/61/11/36/384611136.db2.gz PGKUSBLIDFWNGG-IWSPIJDZSA-N -1 0 211.261 1.108 50 0 BDAARM CC(C)(C)c1noc(CCCC(=O)[O-])n1 ZINC000020593757 384624275 /nfs/dbraw/zinc/62/42/75/384624275.db2.gz RRKFXXQFHATUMO-UHFFFAOYSA-N -1 0 212.249 1.774 50 0 BDAARM O=C([O-])Cc1cnccc1C(F)(F)F ZINC000082929124 384728253 /nfs/dbraw/zinc/72/82/53/384728253.db2.gz YUZUMMPAYONDMB-UHFFFAOYSA-N -1 0 205.135 1.728 50 0 BDAARM O=C([O-])Cn1cc(-c2ccccc2)ccc1=O ZINC000049821349 384689833 /nfs/dbraw/zinc/68/98/33/384689833.db2.gz BLTRVDPVSLGQJZ-UHFFFAOYSA-N -1 0 229.235 1.600 50 0 BDAARM CC1(C)[C@H](C(=O)NCc2ccncc2)[C@@H]1C(=O)[O-] ZINC000061721396 384690514 /nfs/dbraw/zinc/69/05/14/384690514.db2.gz YRNSPZWKVFXLAP-VHSXEESVSA-N -1 0 248.282 1.055 50 0 BDAARM O=C([O-])[C@H]1C(=O)NC[C@H]1C1CCCCC1 ZINC000082953227 384731179 /nfs/dbraw/zinc/73/11/79/384731179.db2.gz IYNGVJHNUWGREC-DTWKUNHWSA-N -1 0 211.261 1.014 50 0 BDAARM Cn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000026420154 384872835 /nfs/dbraw/zinc/87/28/35/384872835.db2.gz OFBLUTIPOCAQPA-UHFFFAOYSA-N -1 0 246.222 1.514 50 0 in-vitro BDAARM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)c1cccnc1 ZINC000178258706 384875440 /nfs/dbraw/zinc/87/54/40/384875440.db2.gz SYBBUWGNYIKELO-ONGXEEELSA-N -1 0 248.282 1.118 50 0 BDAARM Nc1ccc2oc(C(=O)[O-])cc(=O)c2c1 ZINC000072266117 384887480 /nfs/dbraw/zinc/88/74/80/384887480.db2.gz XFVRXDSBECPSHC-UHFFFAOYSA-N -1 0 205.169 1.073 50 0 BDAARM O=C([O-])[C@@H]1CCN(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000583652276 384865658 /nfs/dbraw/zinc/86/56/58/384865658.db2.gz LAXCKBIDZNACDF-LLVKDONJSA-N -1 0 249.310 1.666 50 0 BDAARM O=C([O-])/C=C\C(=O)Nc1ccc(F)c(F)c1F ZINC000004709465 385002213 /nfs/dbraw/zinc/00/22/13/385002213.db2.gz VWWCRLCGVZWUCI-ARJAWSKDSA-N -1 0 245.156 1.683 50 0 BDAARM Cc1occc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062117313 385061249 /nfs/dbraw/zinc/06/12/49/385061249.db2.gz WQSRAYVUBKAWLZ-QMMMGPOBSA-N -1 0 223.228 1.135 50 0 BDAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2nccs2)C1 ZINC000225528373 385081975 /nfs/dbraw/zinc/08/19/75/385081975.db2.gz NNIRDXDNHWLQLV-RNFRBKRXSA-N -1 0 240.284 1.583 50 0 BDAARM O=Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000031973658 385113718 /nfs/dbraw/zinc/11/37/18/385113718.db2.gz VSCUBKWEUNGUDJ-UHFFFAOYSA-N -1 0 223.228 1.393 50 0 BDAARM O=C([O-])Cn1cnc(-c2ccccc2)c1 ZINC000061714973 385134015 /nfs/dbraw/zinc/13/40/15/385134015.db2.gz QRJDYIOTZDYGON-UHFFFAOYSA-N -1 0 202.213 1.635 50 0 BDAARM O=C([O-])CCN1N=C(c2ccccc2)CCC1=O ZINC000032917408 385190344 /nfs/dbraw/zinc/19/03/44/385190344.db2.gz LCYAKPCSNVSBLI-UHFFFAOYSA-N -1 0 246.266 1.488 50 0 BDAARM Cc1ccc(NCc2nn(C)c(=O)[n-]2)cc1 ZINC000065364485 385301646 /nfs/dbraw/zinc/30/16/46/385301646.db2.gz IXXPTZQAJXBPCA-UHFFFAOYSA-N -1 0 218.260 1.029 50 0 BDAARM Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC000062912734 385620467 /nfs/dbraw/zinc/62/04/67/385620467.db2.gz GVRIYVYNTWDJIX-ZDUSSCGKSA-N -1 0 248.282 1.327 50 0 BDAARM Cn1cc(C(=O)[O-])c(NC(=O)OC(C)(C)C)n1 ZINC000261508033 385835072 /nfs/dbraw/zinc/83/50/72/385835072.db2.gz PCLCSLYRVSPJKB-UHFFFAOYSA-N -1 0 241.247 1.465 50 0 BDAARM Cc1ccc(C(=O)[O-])cc1N(C)S(C)(=O)=O ZINC000226088095 386234438 /nfs/dbraw/zinc/23/44/38/386234438.db2.gz ALNWGEXSRHSNJJ-UHFFFAOYSA-N -1 0 243.284 1.089 50 0 BDAARM C[C@@H](CN(C)C(=O)C1C(C)(C)C1(C)C)C(=O)[O-] ZINC000091482014 386299879 /nfs/dbraw/zinc/29/98/79/386299879.db2.gz CDEAVVHLASQXQQ-QMMMGPOBSA-N -1 0 241.331 1.848 50 0 BDAARM COc1ccc(Cn2nnc(C(=O)[O-])c2C)cc1 ZINC000062456043 386518231 /nfs/dbraw/zinc/51/82/31/386518231.db2.gz FKTIKNUZLFXZLG-UHFFFAOYSA-N -1 0 247.254 1.342 50 0 BDAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CC2)c(C)c1 ZINC000203666822 386646535 /nfs/dbraw/zinc/64/65/35/386646535.db2.gz XCXJADRFVPJOSC-UHFFFAOYSA-N -1 0 233.267 1.650 50 0 BDAARM O=C(N=c1ccc(C2CC2)n[n-]1)N1CC=CC1 ZINC000585119973 386670592 /nfs/dbraw/zinc/67/05/92/386670592.db2.gz DERQFCMJNJMGDT-UHFFFAOYSA-N -1 0 230.271 1.180 50 0 BDAARM CC[C@@H](NC(=O)c1ccc(F)c(C)c1)C(=O)[O-] ZINC000063055406 386658650 /nfs/dbraw/zinc/65/86/50/386658650.db2.gz NKRHUKPYYYHPEI-SNVBAGLBSA-N -1 0 239.246 1.727 50 0 BDAARM CC(C)(C)OC(=O)NC1(CC(=O)[O-])CC1 ZINC000145813764 386993370 /nfs/dbraw/zinc/99/33/70/386993370.db2.gz OGHYBYYNJOTBHJ-UHFFFAOYSA-N -1 0 215.249 1.518 50 0 BDAARM CCCc1nnsc1C(=O)[N-]c1cnoc1 ZINC000075170848 387155694 /nfs/dbraw/zinc/15/56/94/387155694.db2.gz ZUOMESIGDVNTON-UHFFFAOYSA-N -1 0 238.272 1.731 50 0 BDAARM CCCCOC(=O)C(C(C)=O)=C(C)[O-] ZINC000100812469 387283783 /nfs/dbraw/zinc/28/37/83/387283783.db2.gz FKUJTCIOHWCNON-UHFFFAOYSA-N -1 0 200.234 1.124 50 0 BDAARM C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)C(=O)[O-] ZINC000054309726 387345924 /nfs/dbraw/zinc/34/59/24/387345924.db2.gz YLFDANWYVKYJBG-YFKPBYRVSA-N -1 0 230.651 1.119 50 0 BDAARM CC(=O)N(CC(=O)[O-])c1ccc(C)cc1C ZINC000004672689 387453771 /nfs/dbraw/zinc/45/37/71/387453771.db2.gz DCXXJSWRJFQZBR-UHFFFAOYSA-N -1 0 221.256 1.741 50 0 BDAARM O=C([O-])Cc1cc(=O)oc2cc(O)ccc12 ZINC000000153920 387483930 /nfs/dbraw/zinc/48/39/30/387483930.db2.gz BNHPMQBVNXMPDU-UHFFFAOYSA-N -1 0 220.180 1.126 50 0 biogenic,in-vitro BDAARM CC1(C)Oc2cc(C(=O)[O-])ccc2NC1=O ZINC000036238440 387583203 /nfs/dbraw/zinc/58/32/03/387583203.db2.gz FUUSADZGQNVUJI-UHFFFAOYSA-N -1 0 221.212 1.494 50 0 BDAARM Cc1cc(C(=O)Nc2cc(C)on2)on1 ZINC000006738051 387847596 /nfs/dbraw/zinc/84/75/96/387847596.db2.gz KRRDWMKROLRSEO-UHFFFAOYSA-N -1 0 207.189 1.532 50 0 BDAARM CCOP(=O)(OCC)[C@@H](C)C(=O)[O-] ZINC000036448785 387873933 /nfs/dbraw/zinc/87/39/33/387873933.db2.gz VQGJFXYTWXPKHV-LURJTMIESA-N -1 0 210.166 1.726 50 0 BDAARM C[C@@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC000006932266 387874089 /nfs/dbraw/zinc/87/40/89/387874089.db2.gz WPDVZLRFHGYRGS-RKDXNWHRSA-N -1 0 236.271 1.520 50 0 BDAARM C[C@H](NC(=O)CO[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000237582719 387926775 /nfs/dbraw/zinc/92/67/75/387926775.db2.gz VQEPAFVKPQSPLT-LPEHRKFASA-N -1 0 243.303 1.171 50 0 BDAARM Cc1cc(C(=O)NCC(=O)[O-])c(C)s1 ZINC000037433588 177777877 /nfs/dbraw/zinc/77/78/77/177777877.db2.gz FUHVFFYLUVNDOU-UHFFFAOYSA-N -1 0 213.258 1.179 50 0 BDAARM O=C([O-])C[C@H]1CCCN1C(=O)c1cccs1 ZINC000042144210 388268112 /nfs/dbraw/zinc/26/81/12/388268112.db2.gz KYXOPLOAEPVDJW-MRVPVSSYSA-N -1 0 239.296 1.827 50 0 BDAARM O=C([O-])C[C@H]1CCCN1C(=O)C1CCC1 ZINC000042144194 388268428 /nfs/dbraw/zinc/26/84/28/388268428.db2.gz HRMMYESAVYTELP-SECBINFHSA-N -1 0 211.261 1.252 50 0 BDAARM O=C([O-])C[C@@H](CC(=O)NC1CC1)c1ccccc1 ZINC000057536207 388362892 /nfs/dbraw/zinc/36/28/92/388362892.db2.gz XOKXPERYTNSONI-LLVKDONJSA-N -1 0 247.294 1.914 50 0 BDAARM O=C([O-])CNC(=O)/C=C/c1ccccc1Cl ZINC000003061105 388362958 /nfs/dbraw/zinc/36/29/58/388362958.db2.gz PAUNJXZKBKHJDZ-AATRIKPKSA-N -1 0 239.658 1.554 50 0 BDAARM O=C([O-])CCCCNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000195549141 388481882 /nfs/dbraw/zinc/48/18/82/388481882.db2.gz NROVRJWVBIBZHY-UWVGGRQHSA-N -1 0 225.288 1.404 50 0 BDAARM Cn1nc(/C=C/C(=O)[O-])c2ccccc2c1=O ZINC000009227204 388424587 /nfs/dbraw/zinc/42/45/87/388424587.db2.gz JOPVMTZVQWRLHZ-VOTSOKGWSA-N -1 0 230.223 1.031 50 0 BDAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1nccs1 ZINC000070734442 388438910 /nfs/dbraw/zinc/43/89/10/388438910.db2.gz RYKBDGSCTUCMRO-ZCFIWIBFSA-N -1 0 240.284 1.185 50 0 BDAARM CCC[C@H](CC(=O)[O-])NC(=O)CC(C)C ZINC000095976332 388797710 /nfs/dbraw/zinc/79/77/10/388797710.db2.gz KLOCLDNFDWLYNX-SECBINFHSA-N -1 0 215.293 1.792 50 0 BDAARM O=C([O-])/C=C/C(=O)N1CCCc2ccccc21 ZINC000000124434 132312929 /nfs/dbraw/zinc/31/29/29/132312929.db2.gz CBGATFOXQAAEQZ-BQYQJAHWSA-N -1 0 231.251 1.607 50 0 BDAARM C[C@H]1CN(c2ccnc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000009256634 132319495 /nfs/dbraw/zinc/31/94/95/132319495.db2.gz BZUPNXZUYRGSPT-IUCAKERBSA-N -1 0 236.271 1.393 50 0 BDAARM O=C([O-])c1noc2ncnc(N3CCCCC3)c12 ZINC000013367307 132321741 /nfs/dbraw/zinc/32/17/41/132321741.db2.gz OKMUBODWEJMZQK-UHFFFAOYSA-N -1 0 248.242 1.306 50 0 BDAARM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000020079810 132329808 /nfs/dbraw/zinc/32/98/08/132329808.db2.gz OTRDBTJTZUXOKP-AOOOYVTPSA-N -1 0 235.283 1.998 50 0 BDAARM CN1C(=O)C[C@@](C)(C(=O)[O-])c2ccccc21 ZINC000032627763 132335615 /nfs/dbraw/zinc/33/56/15/132335615.db2.gz DTFVOKBVVXNWCP-GFCCVEGCSA-N -1 0 219.240 1.395 50 0 BDAARM O=C([O-])CCN1C(=O)CCc2cc(F)ccc21 ZINC000035355555 132338109 /nfs/dbraw/zinc/33/81/09/132338109.db2.gz ZRLSHPXNIUZXJC-UHFFFAOYSA-N -1 0 237.230 1.580 50 0 BDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCOc2ccccc21 ZINC000037517822 132344827 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