smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000324133490 971087012 /nfs/dbraw/zinc/08/70/12/971087012.db2.gz SQDSYXIKBREOEI-UHFFFAOYSA-N -2 0 322.320 3.199 20 0 DGADRL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000396465525 972896692 /nfs/dbraw/zinc/89/66/92/972896692.db2.gz WBYOHWLMAHNCTJ-SECBINFHSA-N -2 0 319.744 3.486 20 0 DGADRL CCN(C(=O)c1cccc(Cl)c1[O-])c1ccccc1C(=O)[O-] ZINC001596169678 983533934 /nfs/dbraw/zinc/53/39/34/983533934.db2.gz LVWOQTSEJPCCKF-UHFFFAOYSA-N -2 0 319.744 3.411 20 0 DGADRL C[C@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])c(Cl)c3)c(=O)c2C1 ZINC001594333902 999281554 /nfs/dbraw/zinc/28/15/54/999281554.db2.gz KCTDGYUWYNOXHD-KWQFWETISA-N -2 0 306.749 3.177 20 0 DGADRL Cc1ccn2c(c1)nnc2CNc1cc([S-])cc([S-])c1 ZINC001162698786 1089889932 /nfs/dbraw/zinc/88/99/32/1089889932.db2.gz PSTWFVWSNGVWLU-UHFFFAOYSA-N -2 0 302.428 3.227 20 0 DGADRL O=P([O-])([O-])OCCNc1ccc(-c2ccccc2F)cc1 ZINC001168594968 1090595119 /nfs/dbraw/zinc/59/51/19/1090595119.db2.gz FNEZNCJGDSAWHN-UHFFFAOYSA-N -2 0 311.249 3.014 20 0 DGADRL O=P([O-])([O-])c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC001222362752 1095574247 /nfs/dbraw/zinc/57/42/47/1095574247.db2.gz XZEGTBVKCZGVAK-UHFFFAOYSA-N -2 0 303.081 3.463 20 0 DGADRL Cn1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(-c2ccccc2)n1 ZINC001222530218 1095654082 /nfs/dbraw/zinc/65/40/82/1095654082.db2.gz VFNUYCGIMZLBMX-UHFFFAOYSA-N -2 0 322.320 3.151 20 0 DGADRL CCOc1cc(F)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236859 1098291973 /nfs/dbraw/zinc/29/19/73/1098291973.db2.gz FRNMUXVNRVKNHC-UHFFFAOYSA-N -2 0 319.288 3.364 20 0 DGADRL Cc1c(Cl)nccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237777 1098293064 /nfs/dbraw/zinc/29/30/64/1098293064.db2.gz AOQMBXMOZIIOHY-UHFFFAOYSA-N -2 0 306.705 3.183 20 0 DGADRL COc1cccc(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241596 1098294149 /nfs/dbraw/zinc/29/41/49/1098294149.db2.gz NBVUFJGWESLEMH-UHFFFAOYSA-N -2 0 301.298 3.144 20 0 DGADRL CCc1ccc(OC)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176245028 1098295091 /nfs/dbraw/zinc/29/50/91/1098295091.db2.gz QMZCOYAXYBBJJD-UHFFFAOYSA-N -2 0 315.325 3.398 20 0 DGADRL O=C([O-])C=Cc1ccc(-c2nc[n-]c3nc(=S)sc2-3)cc1 ZINC001235149546 1098835415 /nfs/dbraw/zinc/83/54/15/1098835415.db2.gz PBHYACCBUVTABU-ZZXKWVIFSA-N -2 0 315.379 3.465 20 0 DGADRL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1[S-])c1ccoc1 ZINC001188608219 1099793216 /nfs/dbraw/zinc/79/32/16/1099793216.db2.gz XRHVMLAKSJHBJT-UHFFFAOYSA-N -2 0 323.317 3.388 20 0 DGADRL O=S(=O)([N-]c1ccccc1[S-])c1cc(F)cc(F)c1F ZINC001190387857 1100256615 /nfs/dbraw/zinc/25/66/15/1100256615.db2.gz MTZPIYSMLGLQKT-UHFFFAOYSA-N -2 0 319.329 3.193 20 0 DGADRL CC(C)(C)OCc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001240944275 1101189058 /nfs/dbraw/zinc/18/90/58/1101189058.db2.gz OJPBKEDOROBRCT-UHFFFAOYSA-N -2 0 320.325 3.472 20 0 DGADRL Cc1ccnc(S(=O)(=O)[N-]c2ccc(Cl)cc2[S-])c1 ZINC001198004450 1101722620 /nfs/dbraw/zinc/72/26/20/1101722620.db2.gz HRGLRBYJOWHERA-UHFFFAOYSA-N -2 0 314.819 3.133 20 0 DGADRL COc1ccc(-c2ccc3oc(=S)[n-]c3c2)cc1C(=O)[O-] ZINC001241875714 1101762621 /nfs/dbraw/zinc/76/26/21/1101762621.db2.gz ZGHHFBZTFDJLOD-UHFFFAOYSA-N -2 0 301.323 3.490 20 0 DGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(OC(F)F)cc2)c1 ZINC001242160398 1101950728 /nfs/dbraw/zinc/95/07/28/1101950728.db2.gz CNVOERNJYNMXOC-UHFFFAOYSA-N -2 0 308.236 3.351 20 0 DGADRL CCCSc1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160010 1101950889 /nfs/dbraw/zinc/95/08/89/1101950889.db2.gz BGLTVXGNHPAWJG-UHFFFAOYSA-N -2 0 318.354 3.042 20 0 DGADRL COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1F ZINC001242161857 1101952257 /nfs/dbraw/zinc/95/22/57/1101952257.db2.gz LLJPHTGEMOOFDQ-UHFFFAOYSA-N -2 0 308.236 3.037 20 0 DGADRL COCc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC001242163438 1101953426 /nfs/dbraw/zinc/95/34/26/1101953426.db2.gz YDNUEWSFOOIRBP-UHFFFAOYSA-N -2 0 304.273 3.036 20 0 DGADRL COc1cccc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cnc21 ZINC001242163338 1101954101 /nfs/dbraw/zinc/95/41/01/1101954101.db2.gz UREAPNRQRNPZEZ-UHFFFAOYSA-N -2 0 323.304 3.307 20 0 DGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc3c(F)cccc3c2)c1 ZINC001242162319 1101954438 /nfs/dbraw/zinc/95/44/38/1101954438.db2.gz FPEULBLARZVDAT-UHFFFAOYSA-N -2 0 311.268 3.437 20 0 DGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2[nH]c(=O)ccc21 ZINC001244316309 1103355300 /nfs/dbraw/zinc/35/53/00/1103355300.db2.gz MMGIADINBBKWAK-UHFFFAOYSA-N -2 0 309.277 3.004 20 0 DGADRL O=C([O-])c1ccc(-c2ccc(-c3ccc(C(=O)[O-])nn3)cc2)cc1 ZINC001245664686 1104185078 /nfs/dbraw/zinc/18/50/78/1104185078.db2.gz LNTWJUQFWPZWGK-UHFFFAOYSA-N -2 0 320.304 3.207 20 0 DGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1c(F)ccc(O)c1Cl ZINC001245832102 1104256953 /nfs/dbraw/zinc/25/69/53/1104256953.db2.gz HSPHEKQISPGREP-UHFFFAOYSA-N -2 0 310.664 3.248 20 0 DGADRL O=C([O-])c1cccc(-n2[n-]c(-c3cc(F)ccc3F)cc2=O)c1 ZINC001245929444 1104318087 /nfs/dbraw/zinc/31/80/87/1104318087.db2.gz CZYJANKDAGSVBV-UHFFFAOYSA-N -2 0 316.263 3.221 20 0 DGADRL Cc1ccc(-c2cc(=O)n(-c3ccccc3C(=O)[O-])[n-]2)s1 ZINC001245947243 1104334106 /nfs/dbraw/zinc/33/41/06/1104334106.db2.gz QWMDDPSKQOYTBP-UHFFFAOYSA-N -2 0 300.339 3.313 20 0 DGADRL O=C([O-])c1cc(Cc2cc(F)c(F)c(F)c2)cc(C(=O)[O-])c1 ZINC001250232735 1105476798 /nfs/dbraw/zinc/47/67/98/1105476798.db2.gz KQPGYNLEZWCZIL-UHFFFAOYSA-N -2 0 310.227 3.091 20 0 DGADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1[S-] ZINC001258629152 1106867935 /nfs/dbraw/zinc/86/79/35/1106867935.db2.gz CKMDVPAPJIHZGU-UHFFFAOYSA-N -2 0 318.807 3.034 20 0 DGADRL O=S(=O)([N-]c1ccccc1[S-])c1c(F)cccc1F ZINC001259068323 1107071440 /nfs/dbraw/zinc/07/14/40/1107071440.db2.gz BZUDHONKKOIZSN-UHFFFAOYSA-N -2 0 301.339 3.054 20 0 DGADRL O=S(=O)(CCc1ccccc1)[N-]c1cccc(Cl)c1[O-] ZINC000083799605 192384250 /nfs/dbraw/zinc/38/42/50/192384250.db2.gz DAIIDTNGJCFTOE-UHFFFAOYSA-N -2 0 311.790 3.030 20 0 DGADRL CC[C@@H](Sc1ccc(=N[C@H](C)c2ccccc2)[n-]n1)C(=O)[O-] ZINC000581313975 324103928 /nfs/dbraw/zinc/10/39/28/324103928.db2.gz YBNCPYRPOYMVSO-DGCLKSJQSA-N -2 0 317.414 3.027 20 0 DGADRL Cc1cccc(N=c2[n-]nc(SCCCC(=O)[O-])s2)c1C ZINC000582486414 324236449 /nfs/dbraw/zinc/23/64/49/324236449.db2.gz LTBPAJKWBMOSBD-UHFFFAOYSA-N -2 0 323.443 3.277 20 0 DGADRL Cc1cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1C(=O)[O-] ZINC000324258423 599950268 /nfs/dbraw/zinc/95/02/68/599950268.db2.gz GLZZULMVHVTZJY-UHFFFAOYSA-N -2 0 322.320 3.199 20 0 DGADRL O=C([O-])/C=C\c1cnc(/C=C\c2cc(C(=O)[O-])cs2)s1 ZINC000782207417 624220013 /nfs/dbraw/zinc/22/00/13/624220013.db2.gz OERMJTVUZNCOBV-CCAGOZQPSA-N -2 0 307.352 3.171 20 0 DGADRL Cc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)ccc1C(=O)[O-] ZINC000833900537 629658612 /nfs/dbraw/zinc/65/86/12/629658612.db2.gz PRSPTTMOJXPKDE-UHFFFAOYSA-N -2 0 314.297 3.035 20 0 DGADRL C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2[C@@H](O)CC(=O)[O-])s1 ZINC000849474554 631912287 /nfs/dbraw/zinc/91/22/87/631912287.db2.gz AGDBWSRJNGINLP-SKDRFNHKSA-N -2 0 320.366 3.111 20 0 DGADRL O=C([O-])c1ccc(-c2ccc3c(c2)C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)cc1F ZINC001602307372 1192968329 /nfs/dbraw/zinc/96/83/29/1192968329.db2.gz ZDWVGPUIHHEILV-NUEKZKHPSA-N -2 0 312.296 3.161 20 0 DGADRL O=C([O-])c1cnc(/C=C\c2cc(C(=O)[O-])ccc2Cl)s1 ZINC001608892365 1193311506 /nfs/dbraw/zinc/31/15/06/1193311506.db2.gz MNTWMLZWYWUUNV-RQOWECAXSA-N -2 0 309.730 3.363 20 0 DGADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(F)cc(F)c1[O-] ZINC001556302195 1188994606 /nfs/dbraw/zinc/99/46/06/1188994606.db2.gz HXYVWDOGNUAFLD-UHFFFAOYSA-N -2 0 317.650 3.421 20 0 DGADRL Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000020016895 957126533 /nfs/dbraw/zinc/12/65/33/957126533.db2.gz SEFHJVWDLFOPQI-UHFFFAOYSA-N -2 0 305.717 3.305 20 0 DGADRL CC(C)(C)CC[C@H](NC(=O)c1ccc(Cl)c([O-])c1)C(=O)[O-] ZINC001588649686 959754179 /nfs/dbraw/zinc/75/41/79/959754179.db2.gz XAUYHZQATOMQPP-NSHDSACASA-N -2 0 313.781 3.055 20 0 DGADRL O=C([O-])[C@@H](NCc1cccc(O)c1Cl)c1ccc(F)cc1 ZINC001574620706 962242652 /nfs/dbraw/zinc/24/26/52/962242652.db2.gz FWPLKKXBBMCUDR-AWEZNQCLSA-N -2 0 309.724 3.100 20 0 DGADRL CCSc1cccc(F)c1[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001597277106 987332989 /nfs/dbraw/zinc/33/29/89/987332989.db2.gz GJRCPTCKJCLFSE-UHFFFAOYSA-N -2 0 309.318 3.481 20 0 DGADRL CC(C)(C(=O)[O-])c1ccc(NC2CCC(C(=O)[O-])CC2)cc1 ZINC001589641266 987563595 /nfs/dbraw/zinc/56/35/95/987563595.db2.gz OPJGPELVNDSXBZ-UHFFFAOYSA-N -2 0 305.374 3.104 20 0 DGADRL CC(C)[C@H]1CCc2[n-]n(-c3ccc(F)c(C(=O)[O-])c3)c(=O)c2C1 ZINC001591081985 991595610 /nfs/dbraw/zinc/59/56/10/991595610.db2.gz OLHRFIMKEQHPLM-GXFFZTMASA-N -2 0 318.348 3.299 20 0 DGADRL Cc1[n-]n(Cc2ccc(-c3ccccc3)cc2)c(=O)c1CC(=O)[O-] ZINC001594115110 998246760 /nfs/dbraw/zinc/24/67/60/998246760.db2.gz ZHGAHMMRNRCYAQ-QGZVFWFLSA-N -2 0 322.364 3.163 20 0 DGADRL C[C@H]1C[C@@H](Nc2ccc(P(=O)([O-])[O-])cc2)c2ccccc21 ZINC001169382678 1092657512 /nfs/dbraw/zinc/65/75/12/1092657512.db2.gz XGLZTQHHSHOMGE-MEDUHNTESA-N -2 0 303.298 3.150 20 0 DGADRL O=C([O-])c1ccc(Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001210176194 1093067853 /nfs/dbraw/zinc/06/78/53/1093067853.db2.gz RRGQUPVVICOPEX-UHFFFAOYSA-N -2 0 303.368 3.422 20 0 DGADRL O=P([O-])([O-])c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC001222604207 1095687493 /nfs/dbraw/zinc/68/74/93/1095687493.db2.gz WJZQKQPZMOBXCT-UHFFFAOYSA-N -2 0 303.081 3.463 20 0 DGADRL CC(C)Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)on1 ZINC001176236237 1098291924 /nfs/dbraw/zinc/29/19/24/1098291924.db2.gz JNLUPWBHHSJYPN-UHFFFAOYSA-N -2 0 304.302 3.013 20 0 DGADRL O=C([O-])c1cc(Nc2cc(F)cc(F)c2F)cc(C(=O)[O-])c1 ZINC001176242032 1098293654 /nfs/dbraw/zinc/29/36/54/1098293654.db2.gz KPQFDTUUMQOHLA-UHFFFAOYSA-N -2 0 311.215 3.244 20 0 DGADRL Cc1cc(F)c(F)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241226 1098293671 /nfs/dbraw/zinc/29/36/71/1098293671.db2.gz BTPWUGCWMQOWDG-UHFFFAOYSA-N -2 0 307.252 3.413 20 0 DGADRL Nc1ccc(Cl)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176242184 1098293771 /nfs/dbraw/zinc/29/37/71/1098293771.db2.gz PQVJJXHLFKWNCQ-UHFFFAOYSA-N -2 0 306.705 3.062 20 0 DGADRL O=C([O-])c1cc(Nc2c(F)ccc(F)c2F)cc(C(=O)[O-])c1 ZINC001176241476 1098294018 /nfs/dbraw/zinc/29/40/18/1098294018.db2.gz INOLSLNDWJDVEP-UHFFFAOYSA-N -2 0 311.215 3.244 20 0 DGADRL COc1cc(C)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC001176244689 1098294634 /nfs/dbraw/zinc/29/46/34/1098294634.db2.gz NAYIKVQTPULZIC-UHFFFAOYSA-N -2 0 315.325 3.452 20 0 DGADRL CC(=O)c1ccc(C)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244367 1098294791 /nfs/dbraw/zinc/29/47/91/1098294791.db2.gz KCDDGDJAOJKXII-UHFFFAOYSA-N -2 0 313.309 3.338 20 0 DGADRL Cc1c(Cl)cc(N)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244841 1098295049 /nfs/dbraw/zinc/29/50/49/1098295049.db2.gz QLMJLJRNXZCPSW-UHFFFAOYSA-N -2 0 320.732 3.371 20 0 DGADRL CCC(=O)c1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244401 1098295129 /nfs/dbraw/zinc/29/51/29/1098295129.db2.gz KUAVREAFPUDNBO-UHFFFAOYSA-N -2 0 313.309 3.419 20 0 DGADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2CCc3cc(F)ccc32)cc1 ZINC001234334137 1098538823 /nfs/dbraw/zinc/53/88/23/1098538823.db2.gz DIVQCWXVNPSAQG-OAHLLOKOSA-N -2 0 324.244 3.364 20 0 DGADRL CC(C)[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(F)(F)F ZINC001234334635 1098539177 /nfs/dbraw/zinc/53/91/77/1098539177.db2.gz FHYMFJNWQMFEAF-SNVBAGLBSA-N -2 0 314.196 3.124 20 0 DGADRL C[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1cccc(F)c1 ZINC001234339719 1098540198 /nfs/dbraw/zinc/54/01/98/1098540198.db2.gz RXEAOKFALZLXEM-JTQLQIEISA-N -2 0 312.233 3.437 20 0 DGADRL CS(=O)(=O)Nc1ccc(-c2cc([S-])cc([S-])c2)cc1 ZINC001240330149 1100944084 /nfs/dbraw/zinc/94/40/84/1100944084.db2.gz QIGXRCWHMQUJTL-UHFFFAOYSA-N -2 0 311.453 3.303 20 0 DGADRL Cn1cc(-c2ccc(-c3c(C(=O)[O-])cccc3C(=O)[O-])cc2)cn1 ZINC001240363096 1100960019 /nfs/dbraw/zinc/96/00/19/1100960019.db2.gz FLKFKNPCQYCGKW-UHFFFAOYSA-N -2 0 322.320 3.151 20 0 DGADRL Cc1csc2cnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc12 ZINC001242160117 1101950255 /nfs/dbraw/zinc/95/02/55/1101950255.db2.gz COUCHRSJWGCKRN-UHFFFAOYSA-N -2 0 314.322 3.063 20 0 DGADRL Cc1nc(-c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2)no1 ZINC001242160708 1101950407 /nfs/dbraw/zinc/95/04/07/1101950407.db2.gz IPHDQUVOXKYSKH-UHFFFAOYSA-N -2 0 324.292 3.108 20 0 DGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(-c3cnco3)c2)c1 ZINC001242161882 1101952388 /nfs/dbraw/zinc/95/23/88/1101952388.db2.gz MPQONQHCVIIFAQ-UHFFFAOYSA-N -2 0 309.277 3.405 20 0 DGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)ncc2C2CC2)c1 ZINC001242161348 1101952505 /nfs/dbraw/zinc/95/25/05/1101952505.db2.gz URGQQLNIMAUDHC-UHFFFAOYSA-N -2 0 301.273 3.162 20 0 DGADRL COc1ccc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2n1 ZINC001242160984 1101952590 /nfs/dbraw/zinc/95/25/90/1101952590.db2.gz NADXYBNVDBXZLL-UHFFFAOYSA-N -2 0 323.304 3.307 20 0 DGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(N3CCCC3)c2)c1 ZINC001242162280 1101952799 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O=C([O-])c1cc(Nc2ccc(F)c(F)c2F)cc(C(=O)[O-])c1 ZINC001176241613 1098294316 /nfs/dbraw/zinc/29/43/16/1098294316.db2.gz NYVKFIWOXWEVMY-UHFFFAOYSA-N -2 0 311.215 3.244 20 0 DGADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(F)c1F ZINC001176244033 1098295067 /nfs/dbraw/zinc/29/50/67/1098295067.db2.gz OOMYJBIBJCGUNF-UHFFFAOYSA-N -2 0 307.252 3.413 20 0 DGADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2CCc3ccccc32)cc1 ZINC001234336600 1098538553 /nfs/dbraw/zinc/53/85/53/1098538553.db2.gz RZJKXGRRRAVWHD-OAHLLOKOSA-N -2 0 306.254 3.224 20 0 DGADRL C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333863 1098538584 /nfs/dbraw/zinc/53/85/84/1098538584.db2.gz ZZSOPNNPEWRATM-SUNKGSAMSA-N -2 0 300.291 3.362 20 0 DGADRL C[C@@H]1CC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C[C@@H]1C ZINC001234333227 1098538757 /nfs/dbraw/zinc/53/87/57/1098538757.db2.gz VXFPAYBVJLXDDX-UHIISALHSA-N -2 0 300.291 3.362 20 0 DGADRL C[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1ccccc1F ZINC001234340082 1098540244 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Cc1csc2c1ncnc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159184 1101950922 /nfs/dbraw/zinc/95/09/22/1101950922.db2.gz CHJXHNNNJJWGFO-UHFFFAOYSA-N -2 0 314.322 3.063 20 0 DGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccc2OC(F)F)c1 ZINC001242161069 1101952077 /nfs/dbraw/zinc/95/20/77/1101952077.db2.gz PSGBCOAYWXEJEH-UHFFFAOYSA-N -2 0 308.236 3.351 20 0 DGADRL Cn1cncc1-c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163026 1101953837 /nfs/dbraw/zinc/95/38/37/1101953837.db2.gz PDNRJNBLUUMUJA-UHFFFAOYSA-N -2 0 322.320 3.151 20 0 DGADRL CSc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)n1 ZINC001242163957 1101955765 /nfs/dbraw/zinc/95/57/65/1101955765.db2.gz UOBULRHVSLLGHJ-UHFFFAOYSA-N -2 0 303.339 3.175 20 0 DGADRL COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1SC ZINC001242163672 1101956233 /nfs/dbraw/zinc/95/62/33/1101956233.db2.gz FXPOLPVOQQPSQL-UHFFFAOYSA-N -2 0 318.350 3.481 20 0 DGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2c(c1)C(=O)CCC2 ZINC001242857721 1102383586 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CC(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(F)c1F ZINC001244705145 1103639157 /nfs/dbraw/zinc/63/91/57/1103639157.db2.gz YNDBNLUMWZJOJT-UHFFFAOYSA-N -2 0 320.247 3.231 20 0 DGADRL CCn1ncc2cc(-c3c(C(=O)[O-])cccc3C(=O)[O-])ccc21 ZINC001245237046 1103926313 /nfs/dbraw/zinc/92/63/13/1103926313.db2.gz WCZOCGMOVRTPAL-UHFFFAOYSA-N -2 0 310.309 3.120 20 0 DGADRL O=C([O-])c1cccc(-n2[n-]c(Cc3ccccc3F)cc2=O)c1 ZINC001245934772 1104320508 /nfs/dbraw/zinc/32/05/08/1104320508.db2.gz BJEATSFAIGRVDN-UHFFFAOYSA-N -2 0 312.300 3.006 20 0 DGADRL Cc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)c1O ZINC000436780492 434107268 /nfs/dbraw/zinc/10/72/68/434107268.db2.gz OZLFLHHTDSFVQF-UHFFFAOYSA-N -2 0 309.325 3.049 20 0 DGADRL C/C=C/c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000577292527 316221272 /nfs/dbraw/zinc/22/12/72/316221272.db2.gz GTMIRHWIXSQQHP-DUXPYHPUSA-N -2 0 317.366 3.219 20 0 DGADRL CC[C@H](Sc1ccc(=N[C@@H](C)c2ccccc2)[n-]n1)C(=O)[O-] ZINC000581313974 324104210 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O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)o1 ZINC001602402313 1192977104 /nfs/dbraw/zinc/97/71/04/1192977104.db2.gz RLOXOTTVXZHVLE-UHFFFAOYSA-N -2 0 321.354 3.046 20 0 DGADRL O=C([O-])c1ccc(F)c(COC(=O)c2cc([S-])ccc2F)c1 ZINC001602362535 1192974816 /nfs/dbraw/zinc/97/48/16/1192974816.db2.gz JOZYGODCFSDTBC-UHFFFAOYSA-N -2 0 324.304 3.309 20 0 DGADRL O=C([O-])c1ccc2nc(/C=C\c3cccc(C(=O)[O-])n3)ccc2c1 ZINC001602429263 1192979332 /nfs/dbraw/zinc/97/93/32/1192979332.db2.gz UPJGTGIDCDISIA-FPLPWBNLSA-N -2 0 320.304 3.197 20 0 DGADRL O=C([O-])c1occc1/C=C\c1cc(C(=O)[O-])c2ccccc2n1 ZINC001602587892 1192989539 /nfs/dbraw/zinc/98/95/39/1192989539.db2.gz HBZIWEACWJBXGN-WAYWQWQTSA-N -2 0 309.277 3.395 20 0 DGADRL Cc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cc1C(=O)[O-] ZINC001607734059 1193251460 /nfs/dbraw/zinc/25/14/60/1193251460.db2.gz NCFCYBFBYFHMLD-UHFFFAOYSA-N -2 0 305.717 3.305 20 0 DGADRL Cn1c(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)ccc1C(=O)[O-] ZINC001608088005 1193277985 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/nfs/dbraw/zinc/70/56/84/1103705684.db2.gz BKHKMSVACXBIAN-UHFFFAOYSA-N -2 0 323.304 3.142 20 0 DGADRL COc1cc2ccccc2cc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001245416567 1104036129 /nfs/dbraw/zinc/03/61/29/1104036129.db2.gz ATYGUDJLBJBIEZ-UHFFFAOYSA-N -2 0 314.277 3.318 20 0 DGADRL CN(C)c1ccc(-c2cc(=O)n(-c3ccccc3C(=O)[O-])[n-]2)cc1 ZINC001245944813 1104330971 /nfs/dbraw/zinc/33/09/71/1104330971.db2.gz SXUHXGBZXUPRLS-UHFFFAOYSA-N -2 0 323.352 3.009 20 0 DGADRL O=C([O-])c1cc(Cc2cccc3cccnc32)cc(C(=O)[O-])c1 ZINC001250189834 1105465545 /nfs/dbraw/zinc/46/55/45/1105465545.db2.gz KIKKVJSKDPTJEL-UHFFFAOYSA-N -2 0 307.305 3.222 20 0 DGADRL O=C([O-])c1cc(Cc2ccc(F)c(F)c2F)cc(C(=O)[O-])c1 ZINC001250219482 1105473932 /nfs/dbraw/zinc/47/39/32/1105473932.db2.gz LILVTKZFAUXBPO-UHFFFAOYSA-N -2 0 310.227 3.091 20 0 DGADRL CSc1ccc(Cc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001250335632 1105502030 /nfs/dbraw/zinc/50/20/30/1105502030.db2.gz VOTZTXNFBCQUNH-UHFFFAOYSA-N -2 0 302.351 3.396 20 0 DGADRL O=S(=O)([N-]c1ccccc1[S-])c1ccc(Cl)s1 ZINC001256475395 1106427595 /nfs/dbraw/zinc/42/75/95/1106427595.db2.gz XOKBSNMGCRPNMW-UHFFFAOYSA-N -2 0 305.833 3.491 20 0 DGADRL O=S(=O)([N-]c1ccccc1[S-])c1ccc(F)c(F)c1F ZINC001259079004 1107072707 /nfs/dbraw/zinc/07/27/07/1107072707.db2.gz PDNMYRJSAFHJRQ-UHFFFAOYSA-N -2 0 319.329 3.193 20 0 DGADRL CC(C)c1nc(/C=C\c2cc(F)c(O)c(F)c2)ncc1C(=O)[O-] ZINC000255268220 285140538 /nfs/dbraw/zinc/14/05/38/285140538.db2.gz QYOKTQKDULQCLI-ARJAWSKDSA-N -2 0 320.295 3.452 20 0 DGADRL CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])c(F)c3)c(=O)c2C1 ZINC000634631388 401325279 /nfs/dbraw/zinc/32/52/79/401325279.db2.gz SSDBFOFFGRXHDH-ZWNOBZJWSA-N -2 0 318.348 3.299 20 0 DGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000266156285 432752424 /nfs/dbraw/zinc/75/24/24/432752424.db2.gz CHGCDEMRTANWGC-UHFFFAOYSA-N -2 0 323.370 3.210 20 0 DGADRL O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)ccc1O)c1ccccc1 ZINC000013469754 545653563 /nfs/dbraw/zinc/65/35/63/545653563.db2.gz MDWQJKYJAROGFJ-LBPRGKRZSA-N -2 0 319.744 3.243 20 0 DGADRL O=C([O-])Nc1ccc(OC(=O)c2c[nH]c(-c3ccccc3)n2)cc1 ZINC000738670312 574877417 /nfs/dbraw/zinc/87/74/17/574877417.db2.gz PNORPPCSGZUYLV-UHFFFAOYSA-N -2 0 323.308 3.386 20 0 DGADRL O=C([O-])c1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000740156132 574926274 /nfs/dbraw/zinc/92/62/74/574926274.db2.gz FFOMWJHPLTUGAI-UHFFFAOYSA-N -2 0 314.322 3.067 20 0 DGADRL CC(C)[C@H]1CCc2[n-]n(-c3ccccc3C(=O)[O-])c(=O)c2C1 ZINC000871948490 622743110 /nfs/dbraw/zinc/74/31/10/622743110.db2.gz POKDTVLNDBJJLS-WCQYABFASA-N -2 0 300.358 3.160 20 0 DGADRL CN(C(=O)[O-])c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000830514536 629279799 /nfs/dbraw/zinc/27/97/99/629279799.db2.gz SRXFPGBGAGJMAN-UHFFFAOYSA-N -2 0 322.267 3.037 20 0 DGADRL O=C([O-])Nc1ccc(C(=O)Nc2cccc3[nH]ccc32)c(O)c1 ZINC000834255335 629680763 /nfs/dbraw/zinc/68/07/63/629680763.db2.gz IICPDPJVTYMGNS-UHFFFAOYSA-N -2 0 311.297 3.216 20 0 DGADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c([O-])cccc1F ZINC000184605731 660176047 /nfs/dbraw/zinc/17/60/47/660176047.db2.gz NBTRHIKKJIRFGI-UHFFFAOYSA-N -2 0 304.302 3.214 20 0 DGADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(F)cc(F)c1[O-] ZINC001588101289 1192433629 /nfs/dbraw/zinc/43/36/29/1192433629.db2.gz YWLNBLKXYHJPSZ-UHFFFAOYSA-N -2 0 322.292 3.353 20 0 DGADRL Cc1c(NC(=O)c2ccc(Cl)cc2[O-])ccc(F)c1C(=O)[O-] ZINC001600046715 1192786248 /nfs/dbraw/zinc/78/62/48/1192786248.db2.gz IRHQEIMBYMNXDD-UHFFFAOYSA-N -2 0 323.707 3.444 20 0 DGADRL Cc1csc(NC(=O)c2cccc(Cl)c2[O-])c1C(=O)[O-] ZINC001600662016 1192890575 /nfs/dbraw/zinc/89/05/75/1192890575.db2.gz HVDOMHGIVBIUBN-UHFFFAOYSA-N -2 0 311.746 3.366 20 0 DGADRL O=C([O-])c1cccc(NC(=O)c2cccc(F)c2[O-])c1Cl ZINC001601616586 1192934941 /nfs/dbraw/zinc/93/49/41/1192934941.db2.gz UCEHRYUIZNWCPH-UHFFFAOYSA-N -2 0 309.680 3.135 20 0 DGADRL O=C([O-])CCc1cccc(NCc2ccc(C(=O)[O-])s2)c1 ZINC001602044307 1192956202 /nfs/dbraw/zinc/95/62/02/1192956202.db2.gz WQJGWSOYOPAFOD-UHFFFAOYSA-N -2 0 305.355 3.076 20 0 DGADRL O=C([O-])c1cccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)n1 ZINC001602434417 1192979906 /nfs/dbraw/zinc/97/99/06/1192979906.db2.gz NHMIWXCDWWGJEI-CMDGGOBGSA-N -2 0 320.304 3.197 20 0 DGADRL CC(C)c1nc(NC(=O)c2cccc(F)c2[O-])sc1C(=O)[O-] ZINC001604016916 1193045081 /nfs/dbraw/zinc/04/50/81/1193045081.db2.gz QGCHYDSNNIGFKK-UHFFFAOYSA-N -2 0 324.333 3.062 20 0 DGADRL Cc1oc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)[O-] ZINC001608057285 1193276539 /nfs/dbraw/zinc/27/65/39/1193276539.db2.gz RXYIPECMRRSEET-UHFFFAOYSA-N -2 0 323.370 3.210 20 0 DGADRL O=C([O-])c1cc(Cl)cc(NC(=O)c2cccc(F)c2[O-])c1 ZINC001608846226 1193307683 /nfs/dbraw/zinc/30/76/83/1193307683.db2.gz OWICTEPTFJHPCE-UHFFFAOYSA-N -2 0 309.680 3.135 20 0 DGADRL O=C([O-])c1cc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)c[nH]1 ZINC001608927046 1193313700 /nfs/dbraw/zinc/31/37/00/1193313700.db2.gz JFOCPWRMRAEUNA-DAFODLJHSA-N -2 0 308.293 3.130 20 0 DGADRL O=C([O-])c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC001610822297 1193410475 /nfs/dbraw/zinc/41/04/75/1193410475.db2.gz CHXWAWFPEHBEKJ-UHFFFAOYSA-N -2 0 315.709 3.197 20 0 DGADRL O=C([O-])[C@H](OC(=O)c1cc([S-])ccc1F)c1ccccc1 ZINC001610876976 1193415018 /nfs/dbraw/zinc/41/50/18/1193415018.db2.gz KCOISRQYUUDGKZ-CYBMUJFWSA-N -2 0 306.314 3.097 20 0 DGADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC001546332886 1186662264 /nfs/dbraw/zinc/66/22/64/1186662264.db2.gz OGKCIIKUQDNVKO-UHFFFAOYSA-N -2 0 305.717 3.124 20 0 DGADRL O=C(Nc1ccc(F)c(F)c1[O-])c1cc(F)c(F)c([O-])c1F ZINC001637469955 1194671880 /nfs/dbraw/zinc/67/18/80/1194671880.db2.gz QZHLTXSVQUANBS-UHFFFAOYSA-N -2 0 319.185 3.046 20 0 DGADRL