smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001589704131 987808093 /nfs/dbraw/zinc/80/80/93/987808093.db2.gz BAXLTBWGRRJONO-NSHDSACASA-N -2 1 333.306 3.030 20 0 EGADML O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021024344 212200948 /nfs/dbraw/zinc/20/09/48/212200948.db2.gz HTDQBOKZDALJDL-UHFFFAOYSA-N -2 1 339.800 3.158 20 0 EGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1Cl ZINC000231656860 266205475 /nfs/dbraw/zinc/20/54/75/266205475.db2.gz IXWPTGINRKYWEU-UHFFFAOYSA-N -2 1 346.191 3.492 20 0 EGADML O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000134622476 307691127 /nfs/dbraw/zinc/69/11/27/307691127.db2.gz DMTGEXUIAFKDIA-UHFFFAOYSA-N -2 1 337.372 3.034 20 0 EGADML CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000323507679 308768605 /nfs/dbraw/zinc/76/86/05/308768605.db2.gz AHCCMELHECYVCK-UHFFFAOYSA-N 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Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1Cl ZINC000523959168 459339693 /nfs/dbraw/zinc/33/96/93/459339693.db2.gz RVKDFUBGEBFFGF-UHFFFAOYSA-N -2 1 339.800 3.456 20 0 EGADML Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1Cl ZINC000818922175 597315814 /nfs/dbraw/zinc/31/58/14/597315814.db2.gz YEAWDRDUKVKFNK-UHFFFAOYSA-N -2 1 339.800 3.076 20 0 EGADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)s1 ZINC000072760101 599801278 /nfs/dbraw/zinc/80/12/78/599801278.db2.gz RGAJCWIAPDSEFQ-UHFFFAOYSA-N -2 1 335.765 3.040 20 0 EGADML CC(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000827125161 601854839 /nfs/dbraw/zinc/85/48/39/601854839.db2.gz YKERNAFHLLNHMW-UHFFFAOYSA-N -2 1 337.372 3.448 20 0 EGADML CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000317331764 604999355 /nfs/dbraw/zinc/99/93/55/604999355.db2.gz WBXFCLDSDIKHMR-SNVBAGLBSA-N -2 1 325.792 3.009 20 0 EGADML O=C([O-])C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000836719254 1320525449 /nfs/dbraw/zinc/52/54/49/1320525449.db2.gz 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CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1C(=O)[O-] ZINC000152964705 454747841 /nfs/dbraw/zinc/74/78/41/454747841.db2.gz QNDGWUAXPRSPIB-UHFFFAOYSA-N -2 1 337.372 3.196 20 0 EGADML CSc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000337767900 456534392 /nfs/dbraw/zinc/53/43/92/456534392.db2.gz UDPITXLOWWCRQH-UHFFFAOYSA-N -2 1 337.422 3.216 20 0 EGADML CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436765308 458376868 /nfs/dbraw/zinc/37/68/68/458376868.db2.gz AQUOSKGANWHEGR-UHFFFAOYSA-N -2 1 349.408 3.189 20 0 EGADML O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc2ccccc2cc1[O-] ZINC000591830624 459450769 /nfs/dbraw/zinc/45/07/69/459450769.db2.gz UUAXRKPBXYJFNQ-UHFFFAOYSA-N -2 1 347.330 3.141 20 0 EGADML CCOCc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000737177126 576130250 /nfs/dbraw/zinc/13/02/50/576130250.db2.gz AVVOCFMMZCZBJE-UHFFFAOYSA-N -2 1 349.408 3.031 20 0 EGADML O=C([O-])CSCc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000833264140 601210985 /nfs/dbraw/zinc/21/09/85/601210985.db2.gz 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339.800 3.456 20 0 EGADML CCCOc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000315045222 963849133 /nfs/dbraw/zinc/84/91/33/963849133.db2.gz LLMDEACTPCQIBV-UHFFFAOYSA-N -2 1 341.410 3.036 20 0 EGADML COc1c(C)ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C ZINC000324677927 154174837 /nfs/dbraw/zinc/17/48/37/154174837.db2.gz MWSZDFHKOUBYOF-UHFFFAOYSA-N -2 1 349.408 3.119 20 0 EGADML C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000181772964 275209233 /nfs/dbraw/zinc/20/92/33/275209233.db2.gz DDHJHTAMPGERMF-NSHDSACASA-N -2 1 337.372 3.205 20 0 EGADML Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1 ZINC000388658164 324276975 /nfs/dbraw/zinc/27/69/75/324276975.db2.gz QCHHXUNTMGHQPS-UHFFFAOYSA-N -2 1 339.800 3.456 20 0 EGADML C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000578969463 325043265 /nfs/dbraw/zinc/04/32/65/325043265.db2.gz GKBWOJGOCGVPDH-QMMMGPOBSA-N -2 1 347.845 3.086 20 0 EGADML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2)c1 ZINC000579305684 325089895 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Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000056700614 214385318 /nfs/dbraw/zinc/38/53/18/214385318.db2.gz JJSVFDWIYIYZOO-YVMONPNESA-N -2 1 331.393 3.202 20 0 EGADML CC(C)n1c(CNC(=O)c2ccc3[n-]c(=S)oc3c2)n[n-]c1=S ZINC000073497073 216390066 /nfs/dbraw/zinc/39/00/66/216390066.db2.gz LLCSKXDYMIYSBY-UHFFFAOYSA-N -2 1 349.441 3.255 20 0 EGADML Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(Cl)c1 ZINC000314535619 154155403 /nfs/dbraw/zinc/15/54/03/154155403.db2.gz ICHBHYYMGNYYLV-UHFFFAOYSA-N -2 1 343.763 3.287 20 0 EGADML CSc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000358850681 166985681 /nfs/dbraw/zinc/98/56/81/166985681.db2.gz DBSJDTOUFBETTH-UHFFFAOYSA-N -2 1 341.385 3.047 20 0 EGADML Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000476259263 310825440 /nfs/dbraw/zinc/82/54/40/310825440.db2.gz XPQCRAKGMMVLSV-UHFFFAOYSA-N -2 1 343.763 3.287 20 0 EGADML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000489394346 311103907 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ZINC000740033754 576536055 /nfs/dbraw/zinc/53/60/55/576536055.db2.gz MBEFNLVCRRILRQ-UHFFFAOYSA-N -2 1 338.323 3.125 20 0 EGADML Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1Cl ZINC000312472857 600817048 /nfs/dbraw/zinc/81/70/48/600817048.db2.gz VDJQQIZLLXCMLJ-UHFFFAOYSA-N -2 1 331.802 3.209 20 0 EGADML Cc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C ZINC000319838654 601317132 /nfs/dbraw/zinc/31/71/32/601317132.db2.gz OFWCYVQWJGWPNP-FLIBITNWSA-N -2 1 331.393 3.202 20 0 EGADML Cc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1C(=O)[O-] ZINC000324204740 605007900 /nfs/dbraw/zinc/00/79/00/605007900.db2.gz UATRVLYPILGYPD-UHFFFAOYSA-N -2 1 342.376 3.042 20 0 EGADML O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1 ZINC001198778632 1369112517 /nfs/dbraw/zinc/11/25/17/1369112517.db2.gz IXUTZQHDYFKMHQ-UHFFFAOYSA-N -2 1 343.360 3.446 20 0 EGADML [CH2]CC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001187528380 1388121581 /nfs/dbraw/zinc/12/15/81/1388121581.db2.gz ZNBHBAYFOIBBIS-UHFFFAOYSA-N -2 1 346.053 3.258 20 0 EGADML Cc1ccc(Cl)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001157157450 1380789131 /nfs/dbraw/zinc/78/91/31/1380789131.db2.gz XUKYOJFERFWYLF-UHFFFAOYSA-N -2 1 338.731 3.128 20 0 EGADML CCc1ccc(F)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167939670 1383773313 /nfs/dbraw/zinc/77/33/13/1383773313.db2.gz OFOITCFDAXOHKZ-UHFFFAOYSA-N -2 1 335.315 3.473 20 0 EGADML O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cccc(-c2ccoc2)c1 ZINC000826450854 1425547883 /nfs/dbraw/zinc/54/78/83/1425547883.db2.gz GRLFVFQFCGCDGH-UHFFFAOYSA-N -2 1 347.334 3.085 20 0 EGADML Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC001605140506 972809722 /nfs/dbraw/zinc/80/97/22/972809722.db2.gz BTEMZYOKJSSBRQ-UHFFFAOYSA-N -2 1 337.335 3.041 20 0 EGADML CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001596070473 983385448 /nfs/dbraw/zinc/38/54/48/983385448.db2.gz FXPZNOYSVYQVFV-UHFFFAOYSA-N -2 1 333.409 3.447 20 0 EGADML CCOc1cc(C(=O)NCc2ccccc2C(=O)[O-])cc(Cl)c1[O-] ZINC001597005354 986323238 /nfs/dbraw/zinc/32/32/38/986323238.db2.gz GDZZJHAAJGBZHT-UHFFFAOYSA-N -2 1 349.770 3.073 20 0 EGADML CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([O-])cc2F)cc1 ZINC001599811475 988342786 /nfs/dbraw/zinc/34/27/86/988342786.db2.gz RTIZPUJABJPKNR-OAHLLOKOSA-N -2 1 349.383 3.199 20 0 EGADML CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001591309087 992264714 /nfs/dbraw/zinc/26/47/14/992264714.db2.gz LJMDRPNIQHOBOL-UHFFFAOYSA-N -2 1 341.835 3.184 20 0 EGADML C[C@]1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCCC[C@H]1C(=O)[O-] ZINC001594056600 997801790 /nfs/dbraw/zinc/80/17/90/997801790.db2.gz RCPUIUBAJVOGIW-NHYWBVRUSA-N -2 1 345.317 3.174 20 0 EGADML O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000262850752 304059598 /nfs/dbraw/zinc/05/95/98/304059598.db2.gz WVMCSLMWKGVJJN-AWEZNQCLSA-N -2 1 327.380 3.405 20 0 EGADML CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000078900009 217143715 /nfs/dbraw/zinc/14/37/15/217143715.db2.gz LOKFVGQZHVWJDG-UHFFFAOYSA-N -2 1 347.436 3.412 20 0 EGADML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000340128372 155106737 /nfs/dbraw/zinc/10/67/37/155106737.db2.gz IGXQBLPJKIKMAB-UHFFFAOYSA-N -2 1 347.392 3.005 20 0 EGADML Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000350871786 165076370 /nfs/dbraw/zinc/07/63/70/165076370.db2.gz SFUBYJLVMAEAEX-UHFFFAOYSA-N -2 1 344.392 3.284 20 0 EGADML C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000181771667 275209189 /nfs/dbraw/zinc/20/91/89/275209189.db2.gz OAWLFQFONBARGU-NSHDSACASA-N -2 1 337.372 3.205 20 0 EGADML CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000460434481 310583160 /nfs/dbraw/zinc/58/31/60/310583160.db2.gz HGKRGGWEVWLLAT-UHFFFAOYSA-N -2 1 337.372 3.448 20 0 EGADML Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1Cl ZINC000548521629 315021521 /nfs/dbraw/zinc/02/15/21/315021521.db2.gz FTUPEHCQJGAIPQ-UHFFFAOYSA-N -2 1 343.763 3.287 20 0 EGADML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000548532958 315022627 /nfs/dbraw/zinc/02/26/27/315022627.db2.gz VLXJFQOJAPFZGT-UHFFFAOYSA-N -2 1 349.383 3.122 20 0 EGADML Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000180016122 323418485 /nfs/dbraw/zinc/41/84/85/323418485.db2.gz KUMXIIGEFDRIFE-UHFFFAOYSA-N -2 1 341.335 3.081 20 0 EGADML Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000078365038 454242179 /nfs/dbraw/zinc/24/21/79/454242179.db2.gz UAPZULATWHGVRF-UHFFFAOYSA-N -2 1 339.800 3.076 20 0 EGADML Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000065513674 454580367 /nfs/dbraw/zinc/58/03/67/454580367.db2.gz RUQRZRQWZPTSLM-UHFFFAOYSA-N -2 1 345.420 3.291 20 0 EGADML O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(F)c1 ZINC000340740603 456661784 /nfs/dbraw/zinc/66/17/84/456661784.db2.gz OOLKDYGAQBFZLS-UHFFFAOYSA-N -2 1 347.726 3.117 20 0 EGADML CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cc1 ZINC000356492233 457020115 /nfs/dbraw/zinc/02/01/15/457020115.db2.gz UNHQLFVXPHUDKK-UHFFFAOYSA-N -2 1 347.392 3.005 20 0 EGADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000357102901 457323242 /nfs/dbraw/zinc/32/32/42/457323242.db2.gz JGAGVQCGCGPUMU-UHFFFAOYSA-N -2 1 341.335 3.052 20 0 EGADML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000390243681 457438100 /nfs/dbraw/zinc/43/81/00/457438100.db2.gz CJXZVSXPRAAVAX-UHFFFAOYSA-N -2 1 343.763 3.287 20 0 EGADML CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000433601007 457856521 /nfs/dbraw/zinc/85/65/21/457856521.db2.gz WKXUBAWZHNOVNQ-UHFFFAOYSA-N -2 1 347.392 3.087 20 0 EGADML Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000436165343 458263137 /nfs/dbraw/zinc/26/31/37/458263137.db2.gz XOLXPRWCGIPLMQ-UHFFFAOYSA-N -2 1 344.392 3.284 20 0 EGADML Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc(C)c1F ZINC000460828680 458535544 /nfs/dbraw/zinc/53/55/44/458535544.db2.gz CFLKADBTIVSMBW-UHFFFAOYSA-N -2 1 337.372 3.250 20 0 EGADML CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000484554884 459419278 /nfs/dbraw/zinc/41/92/78/459419278.db2.gz CXRBCCNYBJNMOS-UHFFFAOYSA-N -2 1 339.800 3.401 20 0 EGADML Cc1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000634795602 460525791 /nfs/dbraw/zinc/52/57/91/460525791.db2.gz FPVAZGYIAVJZIL-UHFFFAOYSA-N -2 1 337.422 3.044 20 0 EGADML Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000738632853 576344039 /nfs/dbraw/zinc/34/40/39/576344039.db2.gz NVDOZRQLMIGDEO-UHFFFAOYSA-N -2 1 325.773 3.147 20 0 EGADML Cc1cc(C(=O)NCCCCCCC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000740749784 576623165 /nfs/dbraw/zinc/62/31/65/576623165.db2.gz PCFQXIXJBGZOFO-UHFFFAOYSA-N -2 1 346.431 3.081 20 0 EGADML O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000166561632 600636597 /nfs/dbraw/zinc/63/65/97/600636597.db2.gz VSINHGAGYRPSEF-UHFFFAOYSA-N -2 1 346.191 3.492 20 0 EGADML Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000317646458 600637331 /nfs/dbraw/zinc/63/73/31/600637331.db2.gz YRLXWPZULPLSNJ-UHFFFAOYSA-N -2 1 343.763 3.287 20 0 EGADML Cc1ccccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759090608 1301014100 /nfs/dbraw/zinc/01/41/00/1301014100.db2.gz JKNLRUDDKQJQPY-UHFFFAOYSA-N -2 1 339.800 3.456 20 0 EGADML O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000776552088 1304171166 /nfs/dbraw/zinc/17/11/66/1304171166.db2.gz NKZRRLHVQZTHRX-UHFFFAOYSA-N -2 1 339.413 3.136 20 0 EGADML O=S(=O)([N-]c1ccc(Cl)cc1[S-])c1ccc(Cl)nc1 ZINC001185687429 1387778193 /nfs/dbraw/zinc/77/81/93/1387778193.db2.gz RPKPLHKSMOOIFQ-UHFFFAOYSA-N -2 1 335.237 3.478 20 0 EGADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(F)c(F)c1 ZINC001185919253 1387827194 /nfs/dbraw/zinc/82/71/94/1387827194.db2.gz XIYUHZXGAGVBRP-UHFFFAOYSA-N -2 1 341.335 3.081 20 0 EGADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(C)c(F)c1 ZINC001185908928 1387826306 /nfs/dbraw/zinc/82/63/06/1387826306.db2.gz CHSGGMZJZNWLGD-UHFFFAOYSA-N -2 1 341.335 3.081 20 0 EGADML O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)C(Cl)(Cl)Cl ZINC001192034127 1367670814 /nfs/dbraw/zinc/67/08/14/1367670814.db2.gz DGTLCINLODAKQF-UHFFFAOYSA-N -2 1 342.990 3.254 20 0 EGADML CC[C@H](C)OC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001195116222 1368381978 /nfs/dbraw/zinc/38/19/78/1368381978.db2.gz METKYGFSLJOZNM-VIFPVBQESA-N -2 1 339.369 3.139 20 0 EGADML CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782003 1369113381 /nfs/dbraw/zinc/11/33/81/1369113381.db2.gz AVWZOFYUOXYGDI-UHFFFAOYSA-N -2 1 333.409 3.310 20 0 EGADML CO/C=C/c1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc1 ZINC001167938996 1383772885 /nfs/dbraw/zinc/77/28/85/1383772885.db2.gz LNQURHBFWBMNHH-ZHACJKMWSA-N -2 1 345.335 3.388 20 0 EGADML O=C([O-])C1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCCCC1 ZINC001574633686 962318281 /nfs/dbraw/zinc/31/82/81/962318281.db2.gz YAXBHWYJDZYIKJ-UHFFFAOYSA-N -2 1 343.383 3.146 20 0 EGADML O=C([O-])[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])Cc2ccccc21 ZINC001574658184 962484384 /nfs/dbraw/zinc/48/43/84/962484384.db2.gz XPIRJQFOSFEIEV-SFHVURJKSA-N -2 1 347.370 3.370 20 0 EGADML 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