smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000000525601 342689372 /nfs/dbraw/zinc/68/93/72/342689372.db2.gz RZHXTNAFUFBEQB-MRVPVSSYSA-N -2 0 209.201 0.912 50 0 BCAARL CCOc1ccc(P(=O)([O-])[O-])cc1 ZINC000002163543 342716528 /nfs/dbraw/zinc/71/65/28/342716528.db2.gz ORUZLAKPEKBACC-UHFFFAOYSA-N -2 0 202.146 0.888 50 0 BCAARL O=C([O-])c1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000004235139 342744916 /nfs/dbraw/zinc/74/49/16/342744916.db2.gz ZNSFKTDVFXKQLP-MRVPVSSYSA-N -2 0 249.222 0.822 50 0 BCAARL CC(C)(C)OC(=O)N[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000002583210 342725812 /nfs/dbraw/zinc/72/58/12/342725812.db2.gz WMDCRWFYQLYYCO-JTQLQIEISA-N -2 0 247.247 0.829 50 0 BCAARL [NH3+][C@@]1(C(=O)[O-])CCc2cc(C(=O)[O-])ccc21 ZINC000003823569 342737835 /nfs/dbraw/zinc/73/78/35/342737835.db2.gz LSTPKMWNRWCNLS-NSHDSACASA-N -2 0 221.212 0.570 50 0 in-vitro BCAARL O=C([O-])c1ccc(-n2[n-]c(=O)ccc2=O)cc1 ZINC000000197031 343268784 /nfs/dbraw/zinc/26/87/84/343268784.db2.gz KSQVOOLIRGVINV-UHFFFAOYSA-N -2 0 232.195 0.224 50 0 BCAARL O=C([O-])[C@@H](Cc1ccccc1)c1nn[n-]n1 ZINC000040457350 343404753 /nfs/dbraw/zinc/40/47/53/343404753.db2.gz FLZJMDPZQZUGSD-QMMMGPOBSA-N -2 0 218.216 0.611 50 0 BCAARL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000044069472 343491076 /nfs/dbraw/zinc/49/10/76/343491076.db2.gz WTNDADANUZETTI-NGJCXOISSA-N -3 0 216.189 0.273 50 0 BCAARL O=C([O-])c1cnc([N-]S(=O)(=O)C2CC2)s1 ZINC000720013793 537832285 /nfs/dbraw/zinc/83/22/85/537832285.db2.gz NUCIKIMXOXMZGP-UHFFFAOYSA-N -2 0 248.285 0.745 50 0 BCAARL O=C([O-])COc1ccc(CC(=O)[O-])cc1 ZINC000012820185 182469883 /nfs/dbraw/zinc/46/98/83/182469883.db2.gz YWUHCLKKNFSBGK-UHFFFAOYSA-N -2 0 210.185 0.777 50 0 BCAARL O=C([O-])CSC(=S)SCC(=O)[O-] ZINC000001661333 182472061 /nfs/dbraw/zinc/47/20/61/182472061.db2.gz GQECANUIPBFPLA-UHFFFAOYSA-N -2 0 226.300 0.907 50 0 BCAARL O=C([O-])Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000004717421 384077077 /nfs/dbraw/zinc/07/70/77/384077077.db2.gz IULVKGQGEFVBTL-UHFFFAOYSA-N -2 0 248.198 0.123 50 0 BCAARL O=C([O-])/C=C\C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004755154 384081535 /nfs/dbraw/zinc/08/15/35/384081535.db2.gz KDCFOKATFSLHQS-WAYWQWQTSA-N -2 0 235.195 0.964 50 0 BCAARL O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000012732083 386121853 /nfs/dbraw/zinc/12/18/53/386121853.db2.gz XODSSGIFRLPDMJ-VIFPVBQESA-N -2 0 234.211 0.791 50 0 BCAARL C[C@@H]1CC(=O)C[C@H](C(=O)[O-])[C@@H]1C(=O)[O-] ZINC000098209825 176048330 /nfs/dbraw/zinc/04/83/30/176048330.db2.gz FTECSEOMYYNPLN-PRMYIZFSSA-N -2 0 200.190 0.387 50 0 BCAARL O=C([O-])c1cc(S(=O)(=O)[O-])ccc1[S-] ZINC000147846190 537960075 /nfs/dbraw/zinc/96/00/75/537960075.db2.gz YCDMJSDEXGPHCD-UHFFFAOYSA-N -3 0 234.254 0.920 50 0 BCAARL O=C([O-])c1cnn2ccc(C(=O)[O-])cc12 ZINC000308678082 631351324 /nfs/dbraw/zinc/35/13/24/631351324.db2.gz HXIBMHDWDIUUQW-UHFFFAOYSA-N -2 0 206.157 0.731 50 0 BCAARL O=C([O-])c1cccc(C[C@@H](O)C(=O)[O-])c1 ZINC000076164214 398233156 /nfs/dbraw/zinc/23/31/56/398233156.db2.gz QOJNCZPYJHQQOQ-MRVPVSSYSA-N -2 0 210.185 0.373 50 0 BCAARL O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)[O-] ZINC000001225971 342698351 /nfs/dbraw/zinc/69/83/51/342698351.db2.gz QRJVIZCSCVUXBG-AATRIKPKSA-N -2 0 235.195 0.964 50 0 BCAARL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC000001732851 342711658 /nfs/dbraw/zinc/71/16/58/342711658.db2.gz XZNJCFYYNFONPC-BYPYZUCNSA-N -2 0 213.155 0.774 50 0 BCAARL O=C([O-])c1nc(C(F)(F)F)[n-]c1C(=O)[O-] ZINC000039270030 343387679 /nfs/dbraw/zinc/38/76/79/343387679.db2.gz SEIZYICTEVXCSY-UHFFFAOYSA-N -2 0 224.094 0.825 50 0 BCAARL O=C([O-])c1ccc2c(c1)ncc(C(=O)[O-])c2O ZINC000000121054 344553362 /nfs/dbraw/zinc/55/33/62/344553362.db2.gz QLHSVJRXHWXBHT-UHFFFAOYSA-N -2 0 233.179 0.925 50 0 BCAARL O=C([O-])c1cccc(C[P@](=O)([O-])O)n1 ZINC000034963090 345846927 /nfs/dbraw/zinc/84/69/27/345846927.db2.gz HIDJRVUSOKZHOS-UHFFFAOYSA-N -2 0 217.117 0.458 50 0 in-vitro BCAARL Cc1nc2cc[n-]n2c(=O)c1CCC(=O)[O-] ZINC000105817690 180109004 /nfs/dbraw/zinc/10/90/04/180109004.db2.gz CIIFPTCDAIMYKA-UHFFFAOYSA-N -2 0 221.216 0.761 50 0 BCAARL O=C([O-])C(F)(F)OC(F)(F)C(=O)[O-] ZINC000039406862 188291316 /nfs/dbraw/zinc/29/13/16/188291316.db2.gz JMZMDJAUACKQPX-UHFFFAOYSA-N -2 0 206.047 0.358 50 0 BCAARL O=C([O-])CC[S@@](=O)c1ccccc1C(=O)[O-] ZINC000000174861 383839216 /nfs/dbraw/zinc/83/92/16/383839216.db2.gz WHVALMSMUBOANU-INIZCTEOSA-N -2 0 242.252 0.967 50 0 BCAARL O=C([O-])C1(C(=O)[O-])Cc2ccccc2C1 ZINC000001698839 383925763 /nfs/dbraw/zinc/92/57/63/383925763.db2.gz RYGAENQWIQPFAI-UHFFFAOYSA-N -2 0 206.197 0.941 50 0 BCAARL O=C([O-])C(=C/C=C/Br)C(=O)[O-] ZINC000004948499 384090836 /nfs/dbraw/zinc/09/08/36/384090836.db2.gz OXMNZQMRJHJAFX-HNQUOIGGSA-N -2 0 221.006 0.991 50 0 BCAARL O=C([O-])COc1ccc(F)cc1C(=O)[O-] ZINC000039369814 384114310 /nfs/dbraw/zinc/11/43/10/384114310.db2.gz VVOKNKUXSAFIDE-UHFFFAOYSA-N -2 0 214.148 0.987 50 0 BCAARL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)[O-] ZINC000041084646 384177102 /nfs/dbraw/zinc/17/71/02/384177102.db2.gz BZETVWGAKTXHJZ-UHFFFAOYSA-N -2 0 246.226 0.162 50 0 BCAARL Cc1cc(C(=O)O[C@H](CC(=O)[O-])C(=O)[O-])co1 ZINC000005578092 385204295 /nfs/dbraw/zinc/20/42/95/385204295.db2.gz LTPIASVMPBFUDG-SSDOTTSWSA-N -2 0 242.183 0.673 50 0 BCAARL CCCCC[C@](O)(CC(=O)[O-])C(=O)[O-] ZINC000146315336 537926681 /nfs/dbraw/zinc/92/66/81/537926681.db2.gz BFXXUUQTGDXNII-VIFPVBQESA-N -2 0 204.222 0.857 50 0 BCAARL Cc1[n-]n(C)c2nc(C(=O)[O-])cc(=O)c1-2 ZINC000101039379 633170649 /nfs/dbraw/zinc/17/06/49/633170649.db2.gz CJULWKJAGGWQPC-UHFFFAOYSA-N -2 0 207.189 0.220 50 0 BCAARL O=C([O-])C(Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000002505268 633831490 /nfs/dbraw/zinc/83/14/90/633831490.db2.gz NHNXYKUNYJKJNH-UHFFFAOYSA-N -2 0 238.195 0.743 50 0 BCAARL O=C([O-])/C=C/C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000097204 342674342 /nfs/dbraw/zinc/67/43/42/342674342.db2.gz UXIAYWKXDXAWJB-SNAWJCMRSA-N -2 0 235.195 0.964 50 0 BCAARL Cc1cc(C)n([C@H](CC(=O)[O-])C(=O)[O-])n1 ZINC000003684127 342736661 /nfs/dbraw/zinc/73/66/61/342736661.db2.gz HIDNTNUHODANDK-SSDOTTSWSA-N -2 0 212.205 0.600 50 0 BCAARL Cc1ccc(-c2nc3nc(=O)[n-]c([O-])c3[nH]2)cc1 ZINC000006501996 342778905 /nfs/dbraw/zinc/77/89/05/342778905.db2.gz LHJYHPUCUZUHSI-MRVPVSSYSA-N -2 0 242.238 0.362 50 0 BCAARL COP(=O)([O-])O[P@](=O)([O-])OC ZINC000013520242 342867277 /nfs/dbraw/zinc/86/72/77/342867277.db2.gz BPNLLIHZSAFABG-UHFFFAOYSA-N -2 0 206.027 0.497 50 0 BCAARL O=C([O-])c1ccc(-n2cnnc2)c(C(=O)[O-])c1 ZINC000020120446 342969838 /nfs/dbraw/zinc/96/98/38/342969838.db2.gz REDYMXZBOLPCTN-UHFFFAOYSA-N -2 0 233.183 0.664 50 0 BCAARL O=C([O-])c1ccc2c(c1)C[C@@H](C(=O)[O-])OC2=O ZINC000012274237 349715023 /nfs/dbraw/zinc/71/50/23/349715023.db2.gz FWOMICIBKVMQGU-QMMMGPOBSA-N -2 0 236.179 0.551 50 0 BCAARL O=C([O-])[C@H]1c2ccccc2C[C@H]1[P@](=O)([O-])O ZINC000020476870 342986536 /nfs/dbraw/zinc/98/65/36/342986536.db2.gz KKSDRURVDFGMTQ-BDAKNGLRSA-N -2 0 242.167 0.957 50 0 BCAARL O=C([O-])/C=C/C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000013844190 187251102 /nfs/dbraw/zinc/25/11/02/187251102.db2.gz UAOGFUKVZLSGIW-AATRIKPKSA-N -2 0 249.222 0.893 50 0 BCAARL CC(C)(C)OC(=O)NC(C(=O)[O-])C(=O)[O-] ZINC000039094210 343382634 /nfs/dbraw/zinc/38/26/34/343382634.db2.gz QDOUGIFZJJVBOL-UHFFFAOYSA-N -2 0 219.193 0.049 50 0 BCAARL Cc1cc(C(=O)[O-])[nH]c2nc(=S)[n-]c(=O)c1-2 ZINC000049538559 187270671 /nfs/dbraw/zinc/27/06/71/187270671.db2.gz ZDVOQJSBUXUIOS-UHFFFAOYSA-N -2 0 237.240 0.987 50 0 BCAARL O=C([O-])C(CCc1ccccn1)C(=O)[O-] ZINC000000331265 190969596 /nfs/dbraw/zinc/96/95/96/190969596.db2.gz RNUWCQALPWWLTH-UHFFFAOYSA-N -2 0 209.201 0.800 50 0 BCAARL CC(=O)[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000006745052 360709455 /nfs/dbraw/zinc/70/94/55/360709455.db2.gz ADVANFQVCYCSNR-UHFFFAOYSA-N -2 0 243.240 0.210 50 0 in-vitro BCAARL COc1ccc(CC(=O)[O-])cc1[S@](=O)[O-] ZINC000675060527 541463314 /nfs/dbraw/zinc/46/33/14/541463314.db2.gz BFKIMCRAVBJWMV-UHFFFAOYSA-N -2 0 230.241 0.903 50 0 BCAARL Cn1c2ccccc2c([O-])c(CC(=O)[O-])c1=O ZINC000004043954 372124519 /nfs/dbraw/zinc/12/45/19/372124519.db2.gz DMZQJVPEEUHKHD-UHFFFAOYSA-N -2 0 233.223 0.871 50 0 BCAARL O=C([O-])c1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000061811293 182575109 /nfs/dbraw/zinc/57/51/09/182575109.db2.gz VMPNECGGXVTSGE-UHFFFAOYSA-N -2 0 205.173 0.463 50 0 BCAARL O=C([O-])CCCCCCC1=C([O-])[C@H](O)CC1=O ZINC000071774323 384178434 /nfs/dbraw/zinc/17/84/34/384178434.db2.gz ASUMHSZQZHAHEA-WCBMZHEXSA-N -2 0 242.271 0.931 50 0 BCAARL Cc1nnc(Nc2cccc(C(=O)[O-])c2)[n-]c1=O ZINC000005009329 384374903 /nfs/dbraw/zinc/37/49/03/384374903.db2.gz PYYFLRSJKWQKGQ-UHFFFAOYSA-N -2 0 246.226 0.915 50 0 BCAARL O=C([O-])Cn1c(=O)cc([O-])c2ccccc21 ZINC000100676026 384651350 /nfs/dbraw/zinc/65/13/50/384651350.db2.gz BKTIIYLACGSDKX-UHFFFAOYSA-N -2 0 219.196 0.792 50 0 BCAARL C[C@H](CN(C)C(=O)C1(C(=O)[O-])CC1)C(=O)[O-] ZINC000563211869 385896991 /nfs/dbraw/zinc/89/69/91/385896991.db2.gz OFHJSXVVADGTJI-ZCFIWIBFSA-N -2 0 229.232 0.030 50 0 BCAARL Cc1cc(C(=O)O[C@@H](CC(=O)[O-])C(=O)[O-])co1 ZINC000059377088 388395274 /nfs/dbraw/zinc/39/52/74/388395274.db2.gz LTPIASVMPBFUDG-ZETCQYMHSA-N -2 0 242.183 0.673 50 0 BCAARL O=C([O-])C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000034870131 398015981 /nfs/dbraw/zinc/01/59/81/398015981.db2.gz WMBQSOHQNOTRPW-UHFFFAOYSA-N -2 0 209.157 0.408 50 0 in-vitro BCAARL C[C@@H](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)C(=O)[O-] ZINC000663119126 412386127 /nfs/dbraw/zinc/38/61/27/412386127.db2.gz KLGYNKCNVKIVQU-KGFZYKRKSA-N -2 0 243.259 0.324 50 0 BCAARL C[C@@H]1CC(=O)C[C@H](C(=O)[O-])[C@H]1C(=O)[O-] ZINC000238851198 176048300 /nfs/dbraw/zinc/04/83/00/176048300.db2.gz FTECSEOMYYNPLN-PIYBLCFFSA-N -2 0 200.190 0.387 50 0 BCAARL Cc1cc(C)nc(-n2[n-]c(C(=O)[O-])cc2=O)n1 ZINC000038342260 177934852 /nfs/dbraw/zinc/93/48/52/177934852.db2.gz MMPACFWALUBMRN-UHFFFAOYSA-N -2 0 234.215 0.683 50 0 BCAARL O=C([O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000241326066 398159926 /nfs/dbraw/zinc/15/99/26/398159926.db2.gz 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0.728 50 0 BCAARL CC(C)[C@@H](NC(=O)CCC(=O)[O-])C(=O)[O-] ZINC000005384590 574412492 /nfs/dbraw/zinc/41/24/92/574412492.db2.gz AUTLFLLYDLMTLY-MRVPVSSYSA-N -2 0 217.221 0.077 50 0 endogenous,in-vitro BCAARL Cc1cc(NC(=O)C(=O)[O-])ccc1C(=O)[O-] ZINC000225476337 178123750 /nfs/dbraw/zinc/12/37/50/178123750.db2.gz GZCWNPCGQOZXAH-UHFFFAOYSA-N -2 0 223.184 0.716 50 0 BCAARL CC(C)[C@H](SCc1nnn[n-]1)C(=O)[O-] ZINC000308647825 259303065 /nfs/dbraw/zinc/30/30/65/259303065.db2.gz IGKUQQDFWGPEAP-LURJTMIESA-N -2 0 216.266 0.542 50 0 BCAARL O=C([O-])c1cc(C(=O)[O-])nc(C(=O)[O-])c1 ZINC000001595538 342705214 /nfs/dbraw/zinc/70/52/14/342705214.db2.gz CHGYKYXGIWNSCD-UHFFFAOYSA-N -3 0 211.129 0.176 50 0 in-vitro BCAARL Nc1ccc(Cl)cc1P(=O)([O-])[O-] ZINC000002391171 342719757 /nfs/dbraw/zinc/71/97/57/342719757.db2.gz UHCDKLNZOMPPFB-UHFFFAOYSA-N -2 0 207.553 0.725 50 0 BCAARL O=C([O-])C1CC(C(=O)[O-])CC(C(=O)[O-])C1 ZINC000014806503 342887839 /nfs/dbraw/zinc/88/78/39/342887839.db2.gz FTHDNRBKSLBLDA-UHFFFAOYSA-N -3 0 216.189 0.273 50 0 BCAARL O=C([O-])[C@H]1c2ccccc2C[C@@H]1[P@](=O)([O-])O ZINC000020476865 342986647 /nfs/dbraw/zinc/98/66/47/342986647.db2.gz KKSDRURVDFGMTQ-IUCAKERBSA-N -2 0 242.167 0.957 50 0 BCAARL O=C([O-])c1cccc(-n2cnnc2)c1C(=O)[O-] ZINC000034929195 343280731 /nfs/dbraw/zinc/28/07/31/343280731.db2.gz QQAQBGQPFAIAPQ-UHFFFAOYSA-N -2 0 233.183 0.664 50 0 BCAARL O=C([O-])c1cc(C(=O)[O-])cc(-n2cnnc2)c1 ZINC000034929298 343280748 /nfs/dbraw/zinc/28/07/48/343280748.db2.gz QHRPTUNIOLMYNP-UHFFFAOYSA-N -2 0 233.183 0.664 50 0 BCAARL O=C([O-])c1ccc(OCc2nnn[n-]2)cc1 ZINC000038478310 343375655 /nfs/dbraw/zinc/37/56/55/343375655.db2.gz DJUCOBREGDVEJG-UHFFFAOYSA-N -2 0 220.188 0.477 50 0 BCAARL Cc1c(/C=C/[N+](=O)[O-])c(C(=O)[O-])[nH]c1C(=O)[O-] ZINC000048547211 343583593 /nfs/dbraw/zinc/58/35/93/343583593.db2.gz SSVGGSZLNQOBMO-NSCUHMNNSA-N -2 0 240.171 0.967 50 0 BCAARL O=C([O-])C(NC(=O)Oc1ccccc1)C(=O)[O-] ZINC000000395149 357153032 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ZINC000003165652 385519981 /nfs/dbraw/zinc/51/99/81/385519981.db2.gz ITQUHRIAAWABIX-UHFFFAOYSA-N -3 0 210.122 0.206 50 0 BCAARL CO[C@H]1C(C(=O)[O-])=C(C(=O)[O-])CC1(C)C ZINC000045071193 387273573 /nfs/dbraw/zinc/27/35/73/387273573.db2.gz CXBRFPPQMJTAPC-ZETCQYMHSA-N -2 0 214.217 0.897 50 0 BCAARL O=C([O-])/C=C(\I)C(=O)[O-] ZINC000013508075 388152426 /nfs/dbraw/zinc/15/24/26/388152426.db2.gz BAKGXNOIJUVCRJ-UPHRSURJSA-N -2 0 241.968 0.475 50 0 BCAARL Cc1cc(C)n(CCC(=O)[O-])c(=O)c1C(=O)[O-] ZINC000043179050 177924558 /nfs/dbraw/zinc/92/45/58/177924558.db2.gz UZLNVZJYOWQSJU-UHFFFAOYSA-N -2 0 239.227 0.638 50 0 BCAARL O=C([O-])C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000241326068 398160041 /nfs/dbraw/zinc/16/00/41/398160041.db2.gz LZANCMICLZHXIB-RNJXMRFFSA-N -2 0 241.243 0.315 50 0 BCAARL O=C([O-])C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000241326065 398160202 /nfs/dbraw/zinc/16/02/02/398160202.db2.gz LZANCMICLZHXIB-CSMHCCOUSA-N -2 0 241.243 0.315 50 0 BCAARL Cc1ccc(-n2nc(C(=O)[O-])c(=O)cc2[O-])cc1 ZINC000019946616 178347548 /nfs/dbraw/zinc/34/75/48/178347548.db2.gz MMJGOAVBFGJMFG-UHFFFAOYSA-N -2 0 246.222 0.945 50 0 BCAARL O=C([O-])c1cc(S(=O)(=O)[O-])ccc1O ZINC000001680376 342708496 /nfs/dbraw/zinc/70/84/96/342708496.db2.gz YCPXWRQRBFJBPZ-UHFFFAOYSA-N -2 0 218.186 0.337 50 0 endogenous,in-man BCAARL O=C([O-])c1ccnc(S(=O)(=O)[O-])c1 ZINC000002598999 342725970 /nfs/dbraw/zinc/72/59/70/342725970.db2.gz PLSRSBHZDGBYOG-UHFFFAOYSA-N -2 0 203.175 0.027 50 0 BCAARL CCCC1C(=O)N=C(SCC(=O)[O-])N=C1[O-] ZINC000009057262 342807449 /nfs/dbraw/zinc/80/74/49/342807449.db2.gz KBUQJVWITUTFKU-UHFFFAOYSA-N -2 0 244.272 0.605 50 0 BCAARL O=C([O-])c1[nH]c(C(=O)[O-])c2c1OCCCO2 ZINC000012956274 342861855 /nfs/dbraw/zinc/86/18/55/342861855.db2.gz OKRDNNPDIXBDDG-UHFFFAOYSA-N -2 0 227.172 0.572 50 0 BCAARL Nc1nc(C(=O)[O-])c(CC(=O)[O-])s1 ZINC000016136395 342906863 /nfs/dbraw/zinc/90/68/63/342906863.db2.gz RSMZZTABRZWCBM-UHFFFAOYSA-N -2 0 202.191 0.051 50 0 BCAARL 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