smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471115074 927454278 /nfs/dbraw/zinc/45/42/78/927454278.db2.gz VJLDTDHDRSHQBE-UHFFFAOYSA-N -2 0 363.435 3.591 20 0 FHADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C)c(C)c(C(=O)[O-])c3)c2n1 ZINC000471131656 927675796 /nfs/dbraw/zinc/67/57/96/927675796.db2.gz AOGOONGBNBHGES-UHFFFAOYSA-N -2 0 370.430 3.659 20 0 FHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)s1 ZINC000430986364 933611407 /nfs/dbraw/zinc/61/14/07/933611407.db2.gz CUGHNDRHJFYVEA-NSHDSACASA-N -2 0 371.505 3.731 20 0 FHADRL Cc1cc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc(C(=O)[O-])c1 ZINC001211544461 935666802 /nfs/dbraw/zinc/66/68/02/935666802.db2.gz ARODFWBLQVNATC-UHFFFAOYSA-N -2 0 355.799 3.645 20 0 FHADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000582426147 935693333 /nfs/dbraw/zinc/69/33/33/935693333.db2.gz BWMRTPPHVGOJKK-UHFFFAOYSA-N -2 0 371.817 3.687 20 0 FHADRL Cc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1C(=O)[O-] ZINC001211604280 938508514 /nfs/dbraw/zinc/50/85/14/938508514.db2.gz YHSBFTGPXGTZRG-UHFFFAOYSA-N -2 0 357.387 3.837 20 0 FHADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000181769350 941382898 /nfs/dbraw/zinc/38/28/98/941382898.db2.gz UAXXZDVYTFLVDZ-VIFPVBQESA-N -2 0 359.856 3.781 20 0 FHADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000181770619 941382930 /nfs/dbraw/zinc/38/29/30/941382930.db2.gz KLEVTGUNFYZTKT-GFCCVEGCSA-N -2 0 351.399 3.513 20 0 FHADRL Cc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)ccc1C(=O)[O-] ZINC001211658209 944860188 /nfs/dbraw/zinc/86/01/88/944860188.db2.gz FCMZPJFYCLNOAN-UHFFFAOYSA-N -2 0 357.387 3.837 20 0 FHADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000614739369 946346582 /nfs/dbraw/zinc/34/65/82/946346582.db2.gz QURYIUOOTQBTMR-UHFFFAOYSA-N -2 0 363.435 3.708 20 0 FHADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)sc1C(=O)[O-] ZINC000048382851 946654262 /nfs/dbraw/zinc/65/42/62/946654262.db2.gz MEBLRLQNINOXDE-UHFFFAOYSA-N -2 0 369.464 3.651 20 0 FHADRL CC(C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000391550099 948272452 /nfs/dbraw/zinc/27/24/52/948272452.db2.gz MYWAPIOVOOCARC-UHFFFAOYSA-N -2 0 353.827 3.962 20 0 FHADRL Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)c1 ZINC000738737650 599736497 /nfs/dbraw/zinc/73/64/97/599736497.db2.gz JMRDWCYWCJNLLU-UHFFFAOYSA-N -2 0 373.386 3.879 20 0 FHADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000390952243 599852739 /nfs/dbraw/zinc/85/27/39/599852739.db2.gz ITZOXFYVWMCNHD-UHFFFAOYSA-N -2 0 374.245 3.811 20 0 FHADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C(=O)[O-] ZINC000320076131 599874711 /nfs/dbraw/zinc/87/47/11/599874711.db2.gz VIXRSAJZENUMRP-UHFFFAOYSA-N -2 0 365.354 3.574 20 0 FHADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489697065 599981666 /nfs/dbraw/zinc/98/16/66/599981666.db2.gz PPVLDDSGEKYNCI-SNVBAGLBSA-N -2 0 369.826 3.546 20 0 FHADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000320429992 600050971 /nfs/dbraw/zinc/05/09/71/600050971.db2.gz KTHPIDGFNWZWGD-UHFFFAOYSA-N -2 0 351.380 3.539 20 0 FHADRL CCc1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000324792307 600051353 /nfs/dbraw/zinc/05/13/53/600051353.db2.gz KGTAAYGOYMMIRB-UHFFFAOYSA-N -2 0 361.444 3.963 20 0 FHADRL CN(C(=O)[O-])c1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000737337363 600101301 /nfs/dbraw/zinc/10/13/01/600101301.db2.gz ZGKQAYQYDGZEAV-UHFFFAOYSA-N -2 0 365.183 3.521 20 0 FHADRL O=C([O-])CC1(CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCCCC1 ZINC000739632867 600155640 /nfs/dbraw/zinc/15/56/40/600155640.db2.gz AQKBDZYMWVUHJX-UHFFFAOYSA-N -2 0 352.362 3.669 20 0 FHADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737034878 600886996 /nfs/dbraw/zinc/88/69/96/600886996.db2.gz TYTQHSAAYASLES-UHFFFAOYSA-N -2 0 369.826 3.628 20 0 FHADRL Cc1ccsc1S(=O)(=O)[N-]c1cccc(CSCCC(=O)[O-])c1 ZINC000738798873 600893727 /nfs/dbraw/zinc/89/37/27/600893727.db2.gz QQFUVAPRAHKOTR-UHFFFAOYSA-N -2 0 371.505 3.565 20 0 FHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)cs1 ZINC000833306059 600977609 /nfs/dbraw/zinc/97/76/09/600977609.db2.gz ALFKGDQEVURQRP-UHFFFAOYSA-N -2 0 374.852 3.510 20 0 FHADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)nc21 ZINC000832975089 601359009 /nfs/dbraw/zinc/35/90/09/601359009.db2.gz YYLFATYTZZAXOQ-JXMROGBWSA-N -2 0 374.443 3.503 20 0 FHADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000833297066 601558579 /nfs/dbraw/zinc/55/85/79/601558579.db2.gz CYHZEYDYMGKQDB-UHFFFAOYSA-N -2 0 351.767 3.585 20 0 FHADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000060211022 601830893 /nfs/dbraw/zinc/83/08/93/601830893.db2.gz RSVDMVBVDFWPSJ-UHFFFAOYSA-N -2 0 357.790 3.595 20 0 FHADRL CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000746351522 601834155 /nfs/dbraw/zinc/83/41/55/601834155.db2.gz RILLLFNOPADTAH-UHFFFAOYSA-N -2 0 371.817 3.931 20 0 FHADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000833343568 602118529 /nfs/dbraw/zinc/11/85/29/602118529.db2.gz IEUBOVVZHYEXGU-UHFFFAOYSA-N -2 0 352.220 3.554 20 0 FHADRL O=C([O-])COc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1Cl ZINC000833257895 604942802 /nfs/dbraw/zinc/94/28/02/604942802.db2.gz AKONMMXOHDHVEH-UHFFFAOYSA-N -2 0 374.151 3.554 20 0 FHADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000833419088 605000587 /nfs/dbraw/zinc/00/05/87/605000587.db2.gz YQTNYRJNDOQOHX-SECBINFHSA-N -2 0 360.237 3.662 20 0 FHADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000833741452 605127637 /nfs/dbraw/zinc/12/76/37/605127637.db2.gz NHMLOGDWEVVREU-UHFFFAOYSA-N -2 0 365.354 3.574 20 0 FHADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000511238818 937388776 /nfs/dbraw/zinc/38/87/76/937388776.db2.gz CDOCDSQIBVWNIV-UHFFFAOYSA-N -2 0 355.362 3.587 20 0 FHADRL Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC001211604224 938508018 /nfs/dbraw/zinc/50/80/18/938508018.db2.gz VSXXIINFZSSFNN-UHFFFAOYSA-N -2 0 355.799 3.645 20 0 FHADRL Cc1cc(C(=O)[O-])ccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001211624271 938985134 /nfs/dbraw/zinc/98/51/34/938985134.db2.gz AVMYDQIUJWWMRD-UHFFFAOYSA-N -2 0 357.387 3.837 20 0 FHADRL O=C([O-])CCOc1cccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c1 ZINC000439281360 944501195 /nfs/dbraw/zinc/50/11/95/944501195.db2.gz WTDZWIVUSJAAKN-DAXSKMNVSA-N -2 0 353.330 3.550 20 0 FHADRL Cc1cc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)ccc1C(=O)[O-] ZINC001211657456 944528619 /nfs/dbraw/zinc/52/86/19/944528619.db2.gz NZLLRNXNDPYNGL-UHFFFAOYSA-N -2 0 373.386 3.542 20 0 FHADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc(Cl)c2[O-])n1 ZINC000436800783 944625644 /nfs/dbraw/zinc/62/56/44/944625644.db2.gz NXFHVQUUJLRDFO-UHFFFAOYSA-N -2 0 361.760 3.637 20 0 FHADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)cc1C(=O)[O-] ZINC000507001227 944841636 /nfs/dbraw/zinc/84/16/36/944841636.db2.gz IBRPRSJBJGCFTI-UHFFFAOYSA-N -2 0 370.430 3.605 20 0 FHADRL Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC001211658263 944907569 /nfs/dbraw/zinc/90/75/69/944907569.db2.gz GRAAXFSXVKPRIQ-UHFFFAOYSA-N -2 0 355.799 3.645 20 0 FHADRL CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000324259625 945389721 /nfs/dbraw/zinc/38/97/21/945389721.db2.gz JBXPBZZZMKIXRX-UHFFFAOYSA-N -2 0 353.827 3.710 20 0 FHADRL Cc1c(Cl)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000519993694 945990897 /nfs/dbraw/zinc/99/08/97/945990897.db2.gz IOBOWGQYGYWCTD-UHFFFAOYSA-N -2 0 366.247 3.862 20 0 FHADRL CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000674646381 568621381 /nfs/dbraw/zinc/62/13/81/568621381.db2.gz AAHJSSVCHQRCHP-UHFFFAOYSA-N -2 0 369.464 3.562 20 0 FHADRL O=C([O-])c1ccoc1COc1ccc(/C=C/c2ccc(C(=O)[O-])cn2)cc1 ZINC000740123010 599805557 /nfs/dbraw/zinc/80/55/57/599805557.db2.gz HJRKLUZGZFDEQD-ORCRQEGFSA-N -2 0 365.341 3.820 20 0 FHADRL O=C([O-])c1sc2ccccc2c1CNC(=O)c1c([O-])cc(F)cc1F ZINC000740280061 599882404 /nfs/dbraw/zinc/88/24/04/599882404.db2.gz GRTDKSXLEKKRQW-UHFFFAOYSA-N -2 0 363.341 3.513 20 0 FHADRL CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736522308 600228775 /nfs/dbraw/zinc/22/87/75/600228775.db2.gz DCMHTUMLCWRYFB-UHFFFAOYSA-N -2 0 355.362 3.587 20 0 FHADRL CCSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737230296 600258676 /nfs/dbraw/zinc/25/86/76/600258676.db2.gz TWJXCUDGVOGMEF-UHFFFAOYSA-N -2 0 373.402 3.576 20 0 FHADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000740140184 600473230 /nfs/dbraw/zinc/47/32/30/600473230.db2.gz DDSUIMYODQVEIP-UHFFFAOYSA-N -2 0 374.852 3.510 20 0 FHADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000740279520 600565635 /nfs/dbraw/zinc/56/56/35/600565635.db2.gz CKSXNGQKSKXPFY-UHFFFAOYSA-N -2 0 372.427 3.882 20 0 FHADRL Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509596834 600671377 /nfs/dbraw/zinc/67/13/77/600671377.db2.gz VDDBUMJZKGKHSN-UHFFFAOYSA-N -2 0 372.402 3.614 20 0 FHADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)cs1 ZINC000727363363 600679918 /nfs/dbraw/zinc/67/99/18/600679918.db2.gz MOFBUBRSDLGLRX-UHFFFAOYSA-N -2 0 365.404 3.562 20 0 FHADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737191846 600890553 /nfs/dbraw/zinc/89/05/53/600890553.db2.gz BMPVTSWPFMNEFT-UHFFFAOYSA-N -2 0 369.826 3.546 20 0 FHADRL CCSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000610194255 600896364 /nfs/dbraw/zinc/89/63/64/600896364.db2.gz VGYRMLKKLKGBMZ-UHFFFAOYSA-N -2 0 357.478 3.500 20 0 FHADRL CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000737231212 600896980 /nfs/dbraw/zinc/89/69/80/600896980.db2.gz HUNQYISMGPJPHB-UHFFFAOYSA-N -2 0 357.478 3.500 20 0 FHADRL CCCn1ccc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000829585468 600980614 /nfs/dbraw/zinc/98/06/14/600980614.db2.gz ZEZRCKOEIAQWJA-UHFFFAOYSA-N -2 0 364.448 3.612 20 0 FHADRL O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCCCC1 ZINC000740481030 602647629 /nfs/dbraw/zinc/64/76/29/602647629.db2.gz LYZIQWHFQSAMTF-UHFFFAOYSA-N -2 0 374.437 3.871 20 0 FHADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000739924131 602652673 /nfs/dbraw/zinc/65/26/73/602652673.db2.gz PNJDOLFSARPYMY-UHFFFAOYSA-N -2 0 370.814 3.548 20 0 FHADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000827456654 604278983 /nfs/dbraw/zinc/27/89/83/604278983.db2.gz ZTRJPSSBZVBBOR-NSHDSACASA-N -2 0 365.788 3.548 20 0 FHADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)s1 ZINC000833449103 604927617 /nfs/dbraw/zinc/92/76/17/604927617.db2.gz HCNSOWZAYQSUEW-UHFFFAOYSA-N -2 0 354.453 3.936 20 0 FHADRL O=C([O-])C=Cc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000834060694 606055778 /nfs/dbraw/zinc/05/57/78/606055778.db2.gz JBAQVWNURAWZMO-FPYGCLRLSA-N -2 0 360.753 3.780 20 0 FHADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000548149683 931410147 /nfs/dbraw/zinc/41/01/47/931410147.db2.gz SLQQOPWVLXRYNE-UHFFFAOYSA-N -2 0 369.464 3.559 20 0 FHADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000430988844 933626963 /nfs/dbraw/zinc/62/69/63/933626963.db2.gz KTWHOXPTWMLACD-UHFFFAOYSA-N -2 0 369.464 3.651 20 0 FHADRL CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000471963415 934096109 /nfs/dbraw/zinc/09/61/09/934096109.db2.gz IIENYWNSSZQRDY-UHFFFAOYSA-N -2 0 357.478 3.586 20 0 FHADRL Cc1cc(C(=O)[O-])ccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001211624790 938991285 /nfs/dbraw/zinc/99/12/85/938991285.db2.gz UMPHYCDECJMROT-UHFFFAOYSA-N -2 0 357.387 3.837 20 0 FHADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435501569 943458089 /nfs/dbraw/zinc/45/80/89/943458089.db2.gz MMFUDUWOHHXCAI-UHFFFAOYSA-N -2 0 364.181 3.632 20 0 FHADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000515650678 944094106 /nfs/dbraw/zinc/09/41/06/944094106.db2.gz KJYIVHLYWLOHDF-UHFFFAOYSA-N -2 0 363.435 3.673 20 0 FHADRL Cc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)ccc1C(=O)[O-] ZINC001211658295 944947361 /nfs/dbraw/zinc/94/73/61/944947361.db2.gz IOASGTIQGWUYHQ-UHFFFAOYSA-N -2 0 357.387 3.837 20 0 FHADRL Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC000013348768 206301266 /nfs/dbraw/zinc/30/12/66/206301266.db2.gz NIAVJGGFFIDAPS-UHFFFAOYSA-N -2 0 360.218 3.801 20 0 FHADRL Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000013348700 206301715 /nfs/dbraw/zinc/30/17/15/206301715.db2.gz VOGNEYKFRANDME-UHFFFAOYSA-N -2 0 360.218 3.801 20 0 FHADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000015243322 206314835 /nfs/dbraw/zinc/31/48/35/206314835.db2.gz IBMXJGGFVGJXDR-UHFFFAOYSA-N -2 0 352.220 3.554 20 0 FHADRL CN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2cccc(C(=O)[O-])c2)C1 ZINC000126291627 598201280 /nfs/dbraw/zinc/20/12/80/598201280.db2.gz GGEYSFAGEIWKCN-GDNBJRDFSA-N -2 0 374.396 3.617 20 0 FHADRL CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2s1 ZINC000736525133 599738650 /nfs/dbraw/zinc/73/86/50/599738650.db2.gz UGGATDSOVXGGQY-UHFFFAOYSA-N -2 0 366.420 3.512 20 0 FHADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000035306440 599873167 /nfs/dbraw/zinc/87/31/67/599873167.db2.gz PXNXUXJPWSEDNU-UHFFFAOYSA-N -2 0 352.220 3.554 20 0 FHADRL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000318000397 599924067 /nfs/dbraw/zinc/92/40/67/599924067.db2.gz QFZFMJLVDBVMDA-UHFFFAOYSA-N -2 0 364.181 3.632 20 0 FHADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1F ZINC000740011450 599924360 /nfs/dbraw/zinc/92/43/60/599924360.db2.gz CXBYPTAFHIHPTA-UHFFFAOYSA-N -2 0 362.741 3.509 20 0 FHADRL CC(C)c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(C(=O)[O-])c1 ZINC000736515492 600074783 /nfs/dbraw/zinc/07/47/83/600074783.db2.gz MUKSVNCHUKVHOD-UHFFFAOYSA-N -2 0 350.374 3.602 20 0 FHADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000605291975 600482423 /nfs/dbraw/zinc/48/24/23/600482423.db2.gz RXLRYEFMQQBKGU-UHFFFAOYSA-N -2 0 369.826 3.626 20 0 FHADRL 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