smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc(-c3ccccc3)cc(=O)n2[n-]1 ZINC000101714254 178300142 /nfs/dbraw/zinc/30/01/42/178300142.db2.gz VQVKCROSNDUQKY-UHFFFAOYSA-N -1 0 225.251 2.410 1 0 BEAFRM CC(C)=CCOc1ccc(C(=O)[O-])cc1O ZINC000028890761 187255615 /nfs/dbraw/zinc/25/56/15/187255615.db2.gz FBBAYOCRDXGHPN-UHFFFAOYSA-N -1 0 222.240 2.435 1 0 BEAFRM Cc1ccccc1-c1nc[nH]c1CC(=O)[O-] ZINC000028710939 179237568 /nfs/dbraw/zinc/23/75/68/179237568.db2.gz HIDCVRFHFILULB-UHFFFAOYSA-N -1 0 216.240 2.012 1 0 BEAFRM O=C([O-])c1n[nH]c2c1C[C@@H](c1ccsc1)C2 ZINC000062224392 188303382 /nfs/dbraw/zinc/30/33/82/188303382.db2.gz NORFNLMDAVXSMV-SSDOTTSWSA-N -1 0 234.280 2.052 1 0 BEAFRM O=C(c1c(=O)oc2ccccc2c1[O-])C1CC1 ZINC000006810548 182645287 /nfs/dbraw/zinc/64/52/87/182645287.db2.gz RNWLOIIIOUQVPR-UHFFFAOYSA-N -1 0 230.219 2.091 1 0 BEAFRM O=S(=O)([O-])Cc1ccc(-c2ccccc2)cn1 ZINC000072108880 182902566 /nfs/dbraw/zinc/90/25/66/182902566.db2.gz YHIBEIXJTRCRNF-UHFFFAOYSA-N -1 0 249.291 2.136 1 0 BEAFRM CCCC[C@]1(c2cccc(C)c2)NC(=O)NC1=O ZINC000013761052 169015816 /nfs/dbraw/zinc/01/58/16/169015816.db2.gz GILINUGWAVSGLZ-CQSZACIVSA-N -1 0 246.310 2.220 1 0 BEAFRM CCCc1c(C)c2c(C)nnc-2oc1[O-] ZINC000101829104 169562031 /nfs/dbraw/zinc/56/20/31/169562031.db2.gz VHEAMOSNUXAWFI-UHFFFAOYSA-N -1 0 206.245 2.449 1 0 BEAFRM CC(C)OC(=O)c1cc(=O)c2ccc([O-])cc2o1 ZINC000027991718 167172394 /nfs/dbraw/zinc/17/23/94/167172394.db2.gz FHXLPRNZCWBHPD-UHFFFAOYSA-N -1 0 248.234 2.064 1 0 BEAFRM COc1ccc(C(C)C)cc1[C@H]1OC(=O)[N-]C1=O ZINC000027863556 175069723 /nfs/dbraw/zinc/06/97/23/175069723.db2.gz YJHJMJZEMIDMID-LLVKDONJSA-N -1 0 249.266 2.126 1 0 BEAFRM C=CC1=C(C(=O)[O-])[C@H](c2ccc(F)cc2)OC1 ZINC000073224703 187277676 /nfs/dbraw/zinc/27/76/76/187277676.db2.gz NWKUHVVHERVMDP-LBPRGKRZSA-N -1 0 234.226 2.464 1 0 BEAFRM Cc1cccc(-n2c(O)c(C)c(=O)[n-]c2=S)c1 ZINC000013465274 179000568 /nfs/dbraw/zinc/00/05/68/179000568.db2.gz HYFLJSLTOSMYSX-UHFFFAOYSA-N -1 0 248.307 2.218 3 0 BEAFRM O=C([O-])c1n[nH]c2c1C[C@@H]1[C@H]2C12CCCCC2 ZINC000084688489 187971119 /nfs/dbraw/zinc/97/11/19/187971119.db2.gz ADQXTVQLMDRXSS-RKDXNWHRSA-N -1 0 232.283 2.328 1 0 BEAFRM CC(=O)Oc1ccc(-n2cccc2)cc1C(=O)[O-] ZINC000082309345 188312478 /nfs/dbraw/zinc/31/24/78/188312478.db2.gz HGKLEIBGUUABKN-UHFFFAOYSA-N -1 0 245.234 2.101 1 0 BEAFRM O=C([O-])c1ccc(Cc2ccc(O)cc2)cn1 ZINC000000001926 182566135 /nfs/dbraw/zinc/56/61/35/182566135.db2.gz SJBFZHNCSGBLEK-UHFFFAOYSA-N -1 0 229.235 2.076 1 0 BEAFRM CCCC[C@@H]1[C@H]2c3[nH]nc(C(=O)[O-])c3C[C@H]21 ZINC000035822829 169014941 /nfs/dbraw/zinc/01/49/41/169014941.db2.gz HZGMLBXSQLGHIS-ACLDMZEESA-N -1 0 220.272 2.184 1 0 BEAFRM C[C@@]1(O)C[C@H](c2ccccc2)S[C@@H]1C(=O)[O-] ZINC000004722284 176545904 /nfs/dbraw/zinc/54/59/04/176545904.db2.gz YMQZLPSBXBXWNW-CKYFFXLPSA-N -1 0 238.308 2.069 2 0 BEAFRM O=C([O-])c1ccnc(C#Cc2ccccc2)c1 ZINC000167535798 343595857 /nfs/dbraw/zinc/59/58/57/343595857.db2.gz OCSROLVEFPWPIH-UHFFFAOYSA-N -1 0 223.231 2.180 2 0 BEAFRM O=C([O-])C(=O)Cc1nc2ccc(Cl)cc2o1 ZINC000040753143 188292899 /nfs/dbraw/zinc/29/28/99/188292899.db2.gz UCELEGPFYRWQJB-DAXSKMNVSA-N -1 0 239.614 2.465 1 0 BEAFRM O=C([O-])CCCOc1ccc2ncccc2c1 ZINC000096034731 385315809 /nfs/dbraw/zinc/31/58/09/385315809.db2.gz VERDLUWMWOQDGT-UHFFFAOYSA-N -1 0 231.251 2.478 2 0 BEAFRM CC(C)CCC[C@H](C)COS(=O)(=O)[O-] ZINC000015119957 166822758 /nfs/dbraw/zinc/82/27/58/166822758.db2.gz LICTUMJMBMBMQH-VIFPVBQESA-N -1 0 224.322 2.268 1 0 in-vitro BEAFRM CC(C)CC[C@@H]1[C@H]2c3[nH]nc(C(=O)[O-])c3C[C@H]21 ZINC000084689448 166914798 /nfs/dbraw/zinc/91/47/98/166914798.db2.gz SMRCQUXQWVGCOP-OYNCUSHFSA-N -1 0 234.299 2.430 1 0 BEAFRM COc1ccc(C(C)C)cc1[C@@H]1OC(=O)[N-]C1=O ZINC000027863548 175069271 /nfs/dbraw/zinc/06/92/71/175069271.db2.gz YJHJMJZEMIDMID-NSHDSACASA-N -1 0 249.266 2.126 1 0 BEAFRM COc1ccc2[nH]c3c(c2c1)CC[C@H](C(=O)[O-])C3 ZINC000035855681 175201972 /nfs/dbraw/zinc/20/19/72/175201972.db2.gz QAHKUJGHNLFLSA-QMMMGPOBSA-N -1 0 245.278 2.366 1 0 BEAFRM COc1ccc2c(ccc3nc(C(=O)[O-])cn32)c1 ZINC000039281647 175222735 /nfs/dbraw/zinc/22/27/35/175222735.db2.gz OEXFFPIXFHWFDK-UHFFFAOYSA-N -1 0 242.234 2.194 1 0 BEAFRM Cc1ccc(-c2c[n-]n3c2nc(O)cc3=O)cc1 ZINC000169342394 178329274 /nfs/dbraw/zinc/32/92/74/178329274.db2.gz IWGALOIXURQHMH-UHFFFAOYSA-N -1 0 241.250 2.116 1 0 BEAFRM Cc1ccccc1-c1n[n-]c(=NN(C)C)s1 ZINC000026384560 179240342 /nfs/dbraw/zinc/24/03/42/179240342.db2.gz BPRXXCVKTTZUPQ-UHFFFAOYSA-N -1 0 234.328 2.402 1 0 BEAFRM Cc1nc2cc(-c3ccccc3)[n-]n2c(=O)c1C ZINC000103896008 180074525 /nfs/dbraw/zinc/07/45/25/180074525.db2.gz URYZABDSMGMPEL-UHFFFAOYSA-N -1 0 239.278 2.306 3 0 BEAFRM COc1cc(O)c(-c2cc(C)[nH]n2)c(OC)c1 ZINC000084602748 188317022 /nfs/dbraw/zinc/31/70/22/188317022.db2.gz KICUMULTJKEIEU-UHFFFAOYSA-N -1 0 234.255 2.108 1 0 BEAFRM Cc1cc(C)c2[nH]c(C(=O)[O-])ccc-2c1=O ZINC000027100653 177887169 /nfs/dbraw/zinc/88/71/69/177887169.db2.gz IIEOJGLLOZAGPR-UHFFFAOYSA-N -1 0 217.224 2.255 1 0 BEAFRM O=C([O-])c1n[nH]c2c1C[C@H]1[C@@H]2C12CCCCC2 ZINC000084688490 187285610 /nfs/dbraw/zinc/28/56/10/187285610.db2.gz ADQXTVQLMDRXSS-IUCAKERBSA-N -1 0 232.283 2.328 1 0 BEAFRM Cc1ccccc1C(=O)C1=C([O-])CCCC1=O ZINC000100855601 179246065 /nfs/dbraw/zinc/24/60/65/179246065.db2.gz ZGPNNJNODAAWSM-UHFFFAOYSA-N -1 0 230.263 2.116 1 0 in-vivo BEAFRM O=C([O-])c1[nH]c2cc(Cl)ccc2c1CO ZINC000029395725 187593115 /nfs/dbraw/zinc/59/31/15/187593115.db2.gz IEHZBYZQBUCXKR-UHFFFAOYSA-N -1 0 225.631 2.012 1 0 BEAFRM C/C=C(\NC(=O)CCCCC(C)C)C(=O)[O-] ZINC000026025687 187937532 /nfs/dbraw/zinc/93/75/32/187937532.db2.gz PPGYUIRFYGJKLS-WMZJFQQLSA-N -1 0 227.304 2.307 1 0 BEAFRM O=C([O-])c1n[nH]c2c1CC[C@@H]2c1ccccc1 ZINC000028948742 188283950 /nfs/dbraw/zinc/28/39/50/188283950.db2.gz IEVZWFNMADRRQP-SECBINFHSA-N -1 0 228.251 2.186 1 0 BEAFRM Nc1ccc(OCC(=O)[O-])c(-c2ccccc2)c1 ZINC000071340778 181721527 /nfs/dbraw/zinc/72/15/27/181721527.db2.gz FSPGXUZKGQSBKT-UHFFFAOYSA-N -1 0 243.262 2.399 1 0 BEAFRM CC(C)Cc1[n-]n(C)c(=O)c1Oc1ccccc1 ZINC000045291632 166784811 /nfs/dbraw/zinc/78/48/11/166784811.db2.gz LPGWAHORFJUVGV-CYBMUJFWSA-N -1 0 246.310 2.308 1 0 BEAFRM CC(C)O[P@@](=O)([O-])Oc1ccccc1C=O ZINC000013441030 167283756 /nfs/dbraw/zinc/28/37/56/167283756.db2.gz GNKJEHVUJSIMGS-UHFFFAOYSA-N -1 0 244.183 2.403 1 0 BEAFRM COc1c(C(=O)[O-])ccc2c1CCC(C)(C)O2 ZINC000003979022 560192958 /nfs/dbraw/zinc/19/29/58/560192958.db2.gz LJMFGBZVIQCIAV-UHFFFAOYSA-N -1 0 236.267 2.497 1 0 in-vitro BEAFRM Cc1cc(=O)n2[n-]c(C(C)(C)C)cc2n1 ZINC000100789860 178201143 /nfs/dbraw/zinc/20/11/43/178201143.db2.gz VTXSWWISJTWMJP-UHFFFAOYSA-N -1 0 205.261 2.041 1 0 BEAFRM O=C([O-])c1cccnc1C#Cc1ccccc1 ZINC000166305156 343394167 /nfs/dbraw/zinc/39/41/67/343394167.db2.gz STSGGFGGVMKVQU-UHFFFAOYSA-N -1 0 223.231 2.180 2 0 BEAFRM Cc1nc(C(=O)[O-])cc(-c2ccccc2F)n1 ZINC000075902048 384693539 /nfs/dbraw/zinc/69/35/39/384693539.db2.gz BZCJIIDHEBXUIH-UHFFFAOYSA-N -1 0 232.214 2.289 2 0 BEAFRM CCOC(=O)C=C([O-])c1cc2ccccc2cn1 ZINC000084669727 170197238 /nfs/dbraw/zinc/19/72/38/170197238.db2.gz SXPHAJSZUCTHOO-UHFFFAOYSA-N -1 0 243.262 2.371 1 0 BEAFRM CCCC[C@@H]1OC(=O)c2c1c(O)ccc2O ZINC000033830754 560088601 /nfs/dbraw/zinc/08/86/01/560088601.db2.gz QTMNSNQNVBIAJF-VIFPVBQESA-N -1 0 222.240 2.500 1 0 biogenic,in-vitro BEAFRM CC(/C=C/C(=O)[O-])=C\c1ccc2c(c1)OCO2 ZINC000034081541 187594016 /nfs/dbraw/zinc/59/40/16/187594016.db2.gz PFLXFEQFSIDHSF-WVNGBEFXSA-N -1 0 232.235 2.459 1 0 BEAFRM C/C=C(\NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000026024678 188282745 /nfs/dbraw/zinc/28/27/45/188282745.db2.gz YHEDGIFKXKSRGG-MBXJOHMKSA-N -1 0 239.658 2.058 1 0 BEAFRM C/C=C(\NC(=O)C(CCC)CCC)C(=O)[O-] ZINC000026020583 188282917 /nfs/dbraw/zinc/28/29/17/188282917.db2.gz WQUKUCKLQZUEIE-POHAHGRESA-N -1 0 227.304 2.307 1 0 BEAFRM O=C([O-])c1cc2ccc3occc3c2oc1=O ZINC000049032970 182560369 /nfs/dbraw/zinc/56/03/69/182560369.db2.gz OOGIRRZEWKDORD-UHFFFAOYSA-N -1 0 230.175 2.237 1 0 BEAFRM Cc1cc(C)c2c(c1)N[C@@H](C(=O)[O-])[C@@H](C)C2=O ZINC000013455147 177881365 /nfs/dbraw/zinc/88/13/65/177881365.db2.gz RXIJESYGXYMNGH-LDYMZIIASA-N -1 0 233.267 2.001 1 0 BEAFRM CC(C)CC[C@H]1[C@H]2c3[nH]nc(C(=O)[O-])c3C[C@@H]12 ZINC000084671648 166898261 /nfs/dbraw/zinc/89/82/61/166898261.db2.gz SMRCQUXQWVGCOP-KHQFGBGNSA-N -1 0 234.299 2.430 1 0 BEAFRM O=C([O-])c1n[nH]c2c1C[C@@H]1[C@H]2[C@H]1c1ccccc1 ZINC000034639066 187257150 /nfs/dbraw/zinc/25/71/50/187257150.db2.gz HJVDLDUXOXOQJX-LSJOCFKGSA-N -1 0 240.262 2.161 1 0 BEAFRM CC(C)[C@@H]1O[C@@H](C)Cc2[nH]c(=S)[nH]c(=O)c21 ZINC000169302581 187302956 /nfs/dbraw/zinc/30/29/56/187302956.db2.gz QAPFBRIUCJMIHT-RCOVLWMOSA-N -1 0 240.328 2.129 3 0 BEAFRM CCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)[O-] ZINC000026021630 168586229 /nfs/dbraw/zinc/58/62/29/168586229.db2.gz GGMWYGMPRZBVBW-SBMLRHLQSA-N -1 0 239.315 2.307 1 0 BEAFRM CCCC[C@]1(c2ccc(C)cc2)NC(=O)NC1=O ZINC000013761054 169016468 /nfs/dbraw/zinc/01/64/68/169016468.db2.gz MPVAUBUISPJQRU-CQSZACIVSA-N -1 0 246.310 2.220 1 0 BEAFRM CCC(=O)c1ccc(OCC(=O)[O-])c(C)c1C ZINC000066074057 168256272 /nfs/dbraw/zinc/25/62/72/168256272.db2.gz JARJRBBNCJISNX-UHFFFAOYSA-N -1 0 236.267 2.360 1 0 BEAFRM CCOC(=O)C=C([O-])c1sc(Cl)nc1C ZINC000084727284 170197476 /nfs/dbraw/zinc/19/74/76/170197476.db2.gz LKMZCAUEQNVTRJ-UHFFFAOYSA-N -1 0 247.703 2.241 1 0 BEAFRM CC(C)CCC[C@@H](C)COS(=O)(=O)[O-] ZINC000015119956 166821975 /nfs/dbraw/zinc/82/19/75/166821975.db2.gz LICTUMJMBMBMQH-SECBINFHSA-N -1 0 224.322 2.268 1 0 in-vitro BEAFRM COc1cc2oc(C)c(C(=O)[O-])c2cc1O ZINC000042923113 175029062 /nfs/dbraw/zinc/02/90/62/175029062.db2.gz PDAXSSFMRPJCNO-UHFFFAOYSA-N -1 0 222.196 2.154 1 0 BEAFRM COc1ccc2ccc3nc(C(=O)[O-])cn3c2c1 ZINC000039281639 175226027 /nfs/dbraw/zinc/22/60/27/175226027.db2.gz JZTHRKBJFFQNMR-UHFFFAOYSA-N -1 0 242.234 2.194 1 0 BEAFRM C[C@]12CC[C@H](O)C[C@]1(C(=O)[O-])CC=C1CC[C@@H]12 ZINC000027559596 177484254 /nfs/dbraw/zinc/48/42/54/177484254.db2.gz VULPCAFHYXDSCJ-VTPLQMEGSA-N -1 0 236.311 2.349 1 0 BEAFRM CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000069488625 574416439 /nfs/dbraw/zinc/41/64/39/574416439.db2.gz GMOFXGCBFWMBIL-UHFFFAOYSA-N -1 0 246.266 2.132 1 0 endogenous,in-vitro BEAFRM O=C1[N-]C(=O)/C(=C/c2ccc3ccccc3c2)N1 ZINC000005777829 188102726 /nfs/dbraw/zinc/10/27/26/188102726.db2.gz HSXQWEKSYKYNFL-WQLSENKSSA-N -1 0 238.246 2.020 1 0 BEAFRM CC(C)c1cccc2[nH]c(C(=O)[O-])cc(=O)c21 ZINC000013821163 167637351 /nfs/dbraw/zinc/63/73/51/167637351.db2.gz XCSMEVQMSIZBFJ-UHFFFAOYSA-N -1 0 231.251 2.350 1 0 BEAFRM CCOC(=O)[P@](=O)([O-])Oc1ccccc1 ZINC000003653691 170286552 /nfs/dbraw/zinc/28/65/52/170286552.db2.gz LMERQOPJWRIKCW-UHFFFAOYSA-N -1 0 230.156 2.407 1 0 BEAFRM CN1c2ccccc2[C@H](CCC(=O)[O-])C1=S ZINC000013832577 172973244 /nfs/dbraw/zinc/97/32/44/172973244.db2.gz LBALNCFWTZTSFW-VIFPVBQESA-N -1 0 235.308 2.412 1 0 BEAFRM C[C@]12CC[C@H](O)C[C@]1(C(=O)[O-])CC=C1CC[C@H]12 ZINC000027559597 177483898 /nfs/dbraw/zinc/48/38/98/177483898.db2.gz VULPCAFHYXDSCJ-UNJBNNCHSA-N -1 0 236.311 2.349 1 0 BEAFRM Cc1cc2oc3n[nH]nc3c(=O)c2cc1C ZINC000100836416 178306597 /nfs/dbraw/zinc/30/65/97/178306597.db2.gz SRHCEXFUGKBOBW-UHFFFAOYSA-N -1 0 215.212 2.045 1 0 BEAFRM Cc1ccccc1C(=O)c1cccn1CC(=O)[O-] ZINC000004104034 179254239 /nfs/dbraw/zinc/25/42/39/179254239.db2.gz JVSHVQJBUZHUDZ-UHFFFAOYSA-N -1 0 243.262 2.112 3 0 BEAFRM O=C([O-])C[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000003782206 182479194 /nfs/dbraw/zinc/47/91/94/182479194.db2.gz LVMKJEGBKLMTAR-GXFFZTMASA-N -1 0 220.268 2.147 1 0 BEAFRM CCCCc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1 ZINC000029317670 169019581 /nfs/dbraw/zinc/01/95/81/169019581.db2.gz UZXVQBNZNRFUFG-XFXZXTDPSA-N -1 0 244.294 2.210 1 0 BEAFRM COc1cc2nc(C(=O)[O-])cn2c2ccccc12 ZINC000034216310 175028567 /nfs/dbraw/zinc/02/85/67/175028567.db2.gz YTLBWWFUMFNEDB-UHFFFAOYSA-N -1 0 242.234 2.194 1 0 BEAFRM COc1cccc(C(=O)c2ccc(O)cc2[O-])c1 ZINC000038337311 175247052 /nfs/dbraw/zinc/24/70/52/175247052.db2.gz QVTNQKRTZSIBPG-UHFFFAOYSA-N -1 0 244.246 2.337 1 0 BEAFRM Cc1cc2c(c(C)c1CC(=O)[O-])C(=O)[C@@H](C)C2 ZINC000014682893 290765737 /nfs/dbraw/zinc/76/57/37/290765737.db2.gz UYEZJDNVWNIIKS-QMMMGPOBSA-N -1 0 232.279 2.305 1 0 endogenous,in-man BEAFRM CCCC[C@]1(c2ccccc2C)NC(=O)NC1=O ZINC000013761050 169016143 /nfs/dbraw/zinc/01/61/43/169016143.db2.gz XZXAVYBYAYLCTE-CQSZACIVSA-N -1 0 246.310 2.220 1 0 BEAFRM CO[C@H]1C=C(C(=O)[O-])[C@@H](OC)c2ccccc21 ZINC000028397219 174873660 /nfs/dbraw/zinc/87/36/60/174873660.db2.gz LURNRHSEXPOZFS-RYUDHWBXSA-N -1 0 234.251 2.086 1 0 BEAFRM COc1ccc2[nH]c3c(c2c1)CC[C@@H](C(=O)[O-])C3 ZINC000035855678 175201795 /nfs/dbraw/zinc/20/17/95/175201795.db2.gz QAHKUJGHNLFLSA-MRVPVSSYSA-N -1 0 245.278 2.366 1 0 BEAFRM COc1cccc2sc3nc(C(=O)[O-])cn3c21 ZINC000040465388 175308535 /nfs/dbraw/zinc/30/85/35/175308535.db2.gz VRFYGWXULGHBOE-UHFFFAOYSA-N -1 0 248.263 2.256 1 0 BEAFRM Cc1[nH]nc(C(=O)[O-])c1CCc1ccccc1 ZINC000084020354 179816385 /nfs/dbraw/zinc/81/63/85/179816385.db2.gz NLXLFPQIIIEQGQ-UHFFFAOYSA-N -1 0 230.267 2.202 1 0 BEAFRM Cc1c[nH]c2nc3cnc(C(=O)[O-])cc3c-2c1 ZINC000028867920 179656675 /nfs/dbraw/zinc/65/66/75/179656675.db2.gz GWVBRDITMOKCCX-UHFFFAOYSA-N -1 0 227.223 2.118 1 0 BEAFRM O=C([O-])/C=C/C(=O)OCc1ccc(Cl)cc1 ZINC000071334459 188130769 /nfs/dbraw/zinc/13/07/69/188130769.db2.gz AZERHVMWVHIJCA-AATRIKPKSA-N -1 0 240.642 2.024 1 0 BEAFRM [O-]C(=Cc1nccs1)c1nccs1 ZINC000040567665 182061596 /nfs/dbraw/zinc/06/15/96/182061596.db2.gz VBVUGCQFVIKNDM-UHFFFAOYSA-N -1 0 210.283 2.025 1 0 BEAFRM O=C([O-])[C@H]1C=CC(OC(F)(F)F)=CC1 ZINC000026251877 182531554 /nfs/dbraw/zinc/53/15/54/182531554.db2.gz ANQBOYAJOZSCGI-YFKPBYRVSA-N -1 0 208.135 2.067 1 0 BEAFRM CC[C@@H]1Oc2ccccc2-n2cc(C(=O)[O-])nc21 ZINC000040465186 171153164 /nfs/dbraw/zinc/15/31/64/171153164.db2.gz YRHORXXNYFFCSX-JTQLQIEISA-N -1 0 244.250 2.414 1 0 BEAFRM C[C@@H](C(=O)[O-])c1cccc(C(=O)c2ncco2)c1 ZINC000028711083 175627855 /nfs/dbraw/zinc/62/78/55/175627855.db2.gz XNIOGTVTEKJZOM-MRVPVSSYSA-N -1 0 245.234 2.094 1 0 BEAFRM O=Cc1c2ccoc2c([O-])c2oc(=O)ccc12 ZINC000015217465 290765741 /nfs/dbraw/zinc/76/57/41/290765741.db2.gz JZLIADGKTKXZFY-UHFFFAOYSA-N -1 0 230.175 2.057 1 0 biogenic,in-vitro BEAFRM C=CC1=C(C(=O)[O-])[C@H](c2ccc(OC)cc2)OC1 ZINC000073224708 187442162 /nfs/dbraw/zinc/44/21/62/187442162.db2.gz KYAOSOCMXVQDEQ-ZDUSSCGKSA-N -1 0 246.262 2.334 1 0 BEAFRM O=C([O-])C(=O)Cc1ncc(-c2ccccc2)s1 ZINC000028365851 182417941 /nfs/dbraw/zinc/41/79/41/182417941.db2.gz DSDGEFSKXBALGO-UHFFFAOYSA-N -1 0 247.275 2.006 1 0 BEAFRM CCCC[C@H]1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC000036387423 169013876 /nfs/dbraw/zinc/01/38/76/169013876.db2.gz BWPVSZVQNFCQRV-QMMMGPOBSA-N -1 0 222.288 2.403 3 0 BEAFRM CC(C)(C)C(=O)Sc1cccnc1C(=O)[O-] ZINC000169321645 166537189 /nfs/dbraw/zinc/53/71/89/166537189.db2.gz YZMQZDANHIJUAP-UHFFFAOYSA-N -1 0 239.296 2.445 1 0 BEAFRM CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)CC(=O)[O-])C2 ZINC000005903096 168003578 /nfs/dbraw/zinc/00/35/78/168003578.db2.gz HGHBHQVHVZOHIY-ZDMBXUJBSA-N -1 0 240.299 2.219 1 0 BEAFRM CCCc1cc(=O)c2c(O)cc([O-])cc2o1 ZINC000006381623 560205655 /nfs/dbraw/zinc/20/56/55/560205655.db2.gz VNMQMINAFBHHBP-UHFFFAOYSA-N -1 0 220.224 2.157 1 0 biogenic,in-vitro BEAFRM