smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c(F)cc([O-])cc1F ZINC001193061293 745976696 /nfs/dbraw/zinc/97/66/96/745976696.db2.gz SNTBXELCNWQRCX-UHFFFAOYSA-N -2 3 323.317 1.754 20 10 DDCDHL O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1ccc(O)c([O-])c1Cl ZINC001193246950 746028964 /nfs/dbraw/zinc/02/89/64/746028964.db2.gz FFOYALQTLIBPAA-UHFFFAOYSA-N -2 3 321.680 1.375 20 10 DDCDHL CCOC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737139202 600953549 /nfs/dbraw/zinc/95/35/49/600953549.db2.gz XHAQICVEHOQSSQ-UHFFFAOYSA-N -2 3 301.726 1.495 20 10 DDCDHL O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1c([O-])cccc1F ZINC000921451690 713774888 /nfs/dbraw/zinc/77/48/88/713774888.db2.gz USMKGHJPEBNRKW-UHFFFAOYSA-N -2 3 322.383 1.128 20 10 DDCDHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001193052238 745973668 /nfs/dbraw/zinc/97/36/68/745973668.db2.gz QQDGZXNBWDUAKA-UHFFFAOYSA-N -2 3 305.327 1.615 20 10 DDCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193515412 746131094 /nfs/dbraw/zinc/13/10/94/746131094.db2.gz OWSZYUSZSJJTPA-UHFFFAOYSA-N -2 3 317.338 1.860 20 10 DDCDHL O=C(NCCCCP(=O)([O-])[O-])c1cc(O)c([O-])c(Cl)c1 ZINC001193625373 746153192 /nfs/dbraw/zinc/15/31/92/746153192.db2.gz HOXAKMRYQDFCNH-UHFFFAOYSA-N -3 3 323.669 1.439 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCN(C(=O)[O-])C[C@@H]2C)c1[O-] ZINC000823626656 604223694 /nfs/dbraw/zinc/22/36/94/604223694.db2.gz AMTGJHWYQAPGFR-VIFPVBQESA-N -2 3 310.325 1.918 20 10 DDCDHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395318 875358917 /nfs/dbraw/zinc/35/89/17/875358917.db2.gz UDCVENHCGUOQIA-UHFFFAOYSA-N -2 3 323.330 1.992 20 10 DDCDHL O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccc([O-])c(Cl)c1 ZINC000821192100 704379849 /nfs/dbraw/zinc/37/98/49/704379849.db2.gz RVFFQMICPLLBFR-UHFFFAOYSA-N -2 3 324.811 1.964 20 10 DDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cccc2nonc21 ZINC001260440823 899144181 /nfs/dbraw/zinc/14/41/81/899144181.db2.gz PGVRLODEULCSFA-UHFFFAOYSA-N -2 3 309.278 1.868 20 10 DDCDHL O=C([N-]CC1CN(Cc2cc(F)cc(F)c2[O-])C1)C(F)(F)F ZINC000895464260 711518990 /nfs/dbraw/zinc/51/89/90/711518990.db2.gz LUGFVOHFRDHLRG-UHFFFAOYSA-N -2 3 324.249 1.781 20 10 DDCDHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000830185199 706471162 /nfs/dbraw/zinc/47/11/62/706471162.db2.gz WNZFUMGOTJAOFN-UHFFFAOYSA-N -2 3 317.317 1.822 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCC[C@H](NC(=O)[O-])C2)c1[O-] ZINC000823626706 604223851 /nfs/dbraw/zinc/22/38/51/604223851.db2.gz BBMVMBNYOOTFAI-LBPRGKRZSA-N -2 3 310.325 1.966 20 10 DDCDHL COc1c([O-])c(C=C2SC(=S)[N-]C2=O)ccc1[N+](=O)[O-] ZINC000772176697 701345120 /nfs/dbraw/zinc/34/51/20/701345120.db2.gz OPWKTQOIDZHWNF-QPJJXVBHSA-N -2 3 312.328 1.798 20 10 DDCDHL COC(=O)CS(=O)(=O)[N-]c1ccc([O-])c(Br)c1 ZINC001259024365 898421904 /nfs/dbraw/zinc/42/19/04/898421904.db2.gz MJOOMOHDTDHWNS-UHFFFAOYSA-N -2 3 324.152 1.069 20 10 DDCDHL O=C(CNc1ccc(P(=O)([O-])[O-])cc1)c1ccc([O-])c(O)c1 ZINC001170321010 766250314 /nfs/dbraw/zinc/25/03/14/766250314.db2.gz UYCSUVKHFMVVSB-UHFFFAOYSA-N -3 3 323.241 1.196 20 10 DDCDHL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1O ZINC000317036245 604827624 /nfs/dbraw/zinc/82/76/24/604827624.db2.gz UGHAWNDOHZXORH-UHFFFAOYSA-N -2 3 323.326 1.905 20 10 DDCDHL C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000833818682 605678465 /nfs/dbraw/zinc/67/84/65/605678465.db2.gz LSFISESNNYBIKY-RNCFNFMXSA-N -2 3 314.769 1.903 20 10 DDCDHL O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(=O)[nH][n-]1 ZINC001193476499 746115077 /nfs/dbraw/zinc/11/50/77/746115077.db2.gz XHYCMMMNUXMWMB-UHFFFAOYSA-N -2 3 318.720 1.953 20 10 DDCDHL O=C(CNC(=O)c1cc([O-])cnc1Cl)c1ccc([O-])c(O)c1 ZINC001195312781 746574004 /nfs/dbraw/zinc/57/40/04/746574004.db2.gz JUNJGZNWXRGQGQ-UHFFFAOYSA-N -2 3 322.704 1.465 20 10 DDCDHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)o1 ZINC000758169642 700686720 /nfs/dbraw/zinc/68/67/20/700686720.db2.gz WFECIWQITWNBOY-UHFFFAOYSA-N -2 3 315.278 1.712 20 10 DDCDHL Cc1[n-][nH]c2ncnc(=NC(=O)c3cc(O)c([O-])c(Cl)c3)c1-2 ZINC001193589960 746139941 /nfs/dbraw/zinc/13/99/41/746139941.db2.gz SWLGKQUAGVVXMM-UHFFFAOYSA-N -2 3 319.708 1.352 20 10 DDCDHL C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000833818680 605678290 /nfs/dbraw/zinc/67/82/90/605678290.db2.gz LSFISESNNYBIKY-NOZJJQNGSA-N -2 3 314.769 1.903 20 10 DDCDHL CC[C@H](C)S(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC ZINC001260742051 899242067 /nfs/dbraw/zinc/24/20/67/899242067.db2.gz WPSZZABBUVBWGH-ZETCQYMHSA-N -2 3 305.327 1.858 20 10 DDCDHL O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819968936 704194265 /nfs/dbraw/zinc/19/42/65/704194265.db2.gz GRFNWDFKINFFNM-ZETCQYMHSA-N -2 3 323.280 1.345 20 10 DDCDHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(O)c1[O-] ZINC000776344628 698097687 /nfs/dbraw/zinc/09/76/87/698097687.db2.gz VXTYHPGHLHVNNA-UHFFFAOYSA-N -2 3 313.269 1.693 20 10 DDCDHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc([O-])c(F)c1F ZINC000830185230 706471073 /nfs/dbraw/zinc/47/10/73/706471073.db2.gz XHOQCFSNAVKCGF-MRVPVSSYSA-N -2 3 307.318 1.981 20 10 DDCDHL Nc1ccc(N)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001212016257 741945550 /nfs/dbraw/zinc/94/55/50/741945550.db2.gz GXDNWPNJUCVEKK-UHFFFAOYSA-N -2 3 315.301 1.636 20 10 DDCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cnc(Cl)nc1 ZINC001185047305 744150400 /nfs/dbraw/zinc/15/04/00/744150400.db2.gz ALBGRGXDOPQETN-UHFFFAOYSA-N -2 3 321.692 1.915 20 10 DDCDHL Cn1nncc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833759732 604638391 /nfs/dbraw/zinc/63/83/91/604638391.db2.gz UHCRYTAXSWRDOE-UHFFFAOYSA-N -2 3 310.741 1.261 20 10 DDCDHL COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001174737447 777572003 /nfs/dbraw/zinc/57/20/03/777572003.db2.gz HPZFJBCHVWUEHN-UHFFFAOYSA-N -2 3 312.322 1.923 20 10 DDCDHL O=c1[n-]c(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n[nH]1 ZINC000091619264 353831856 /nfs/dbraw/zinc/83/18/56/353831856.db2.gz YQBGOXKKCFPUET-GFCCVEGCSA-N -2 3 304.350 1.397 20 10 DDCDHL Cc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])no1 ZINC000738855189 600314775 /nfs/dbraw/zinc/31/47/75/600314775.db2.gz MRNBSAQJLNHYHZ-UHFFFAOYSA-N -2 3 311.725 1.824 20 10 DDCDHL Cn1ccnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739054776 600314913 /nfs/dbraw/zinc/31/49/13/600314913.db2.gz CEGOCTDKECKSLH-UHFFFAOYSA-N -2 3 309.753 1.866 20 10 DDCDHL C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833817127 605678229 /nfs/dbraw/zinc/67/82/29/605678229.db2.gz GFZLWGAORLFMAP-ZANVPECISA-N -2 3 314.769 1.903 20 10 DDCDHL O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819968931 704194241 /nfs/dbraw/zinc/19/42/41/704194241.db2.gz GRFNWDFKINFFNM-SSDOTTSWSA-N -2 3 323.280 1.345 20 10 DDCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CC(C)C ZINC001259885470 898897365 /nfs/dbraw/zinc/89/73/65/898897365.db2.gz CPJFCQCZRVHJGD-UHFFFAOYSA-N -2 3 305.327 1.716 20 10 DDCDHL COc1ccc(C=C2SC(=S)[N-]C2=O)cc1-c1nnn[n-]1 ZINC000737084795 599151083 /nfs/dbraw/zinc/15/10/83/599151083.db2.gz WAVNVOOXWBQWFE-WEVVVXLNSA-N -2 3 319.371 1.364 20 10 DDCDHL Cc1nonc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738957046 600506430 /nfs/dbraw/zinc/50/64/30/600506430.db2.gz RQPFQDIIUUGHHS-UHFFFAOYSA-N -2 3 311.725 1.824 20 10 DDCDHL CCn1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cn1 ZINC001259838606 898853202 /nfs/dbraw/zinc/85/32/02/898853202.db2.gz XRAQJSBASUYIKB-UHFFFAOYSA-N -2 3 303.290 1.688 20 10 DDCDHL COc1ccc(C=C2SC(=S)[N-]C2=O)cc1-c1nnn[n-]1 ZINC000737084794 599150726 /nfs/dbraw/zinc/15/07/26/599150726.db2.gz WAVNVOOXWBQWFE-UITAMQMPSA-N -2 3 319.371 1.364 20 10 DDCDHL Cn1cncc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833058615 601316800 /nfs/dbraw/zinc/31/68/00/601316800.db2.gz LRTVJTMFUPHVQW-UHFFFAOYSA-N -2 3 309.753 1.866 20 10 DDCDHL CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCN(C(=O)[O-])C2)c1[O-] ZINC000823628430 604227063 /nfs/dbraw/zinc/22/70/63/604227063.db2.gz QAZWMUGEHCSNMH-GFCCVEGCSA-N -2 3 310.325 1.918 20 10 DDCDHL COc1c([O-])c(C=C2SC(=S)[N-]C2=O)ccc1[N+](=O)[O-] ZINC000772176694 701345132 /nfs/dbraw/zinc/34/51/32/701345132.db2.gz OPWKTQOIDZHWNF-DAXSKMNVSA-N -2 3 312.328 1.798 20 10 DDCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CCCCF ZINC000830156552 706465640 /nfs/dbraw/zinc/46/56/40/706465640.db2.gz UNKVIBZJTKSWGL-UHFFFAOYSA-N -2 3 323.317 1.809 20 10 DDCDHL N=CNC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001152609891 863457555 /nfs/dbraw/zinc/45/75/55/863457555.db2.gz PSVWHKORKHCBDX-UHFFFAOYSA-N -2 3 310.265 1.210 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCN(C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000823626700 604226952 /nfs/dbraw/zinc/22/69/52/604226952.db2.gz AXNADDGJMWRNRS-SECBINFHSA-N -2 3 310.325 1.918 20 10 DDCDHL O=C1[N-]C(=S)SC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826482017 607916342 /nfs/dbraw/zinc/91/63/42/607916342.db2.gz PHHZUHOZBDLVNA-YWEYNIOJSA-N -2 3 307.335 1.495 20 10 DDCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000830156335 706465780 /nfs/dbraw/zinc/46/57/80/706465780.db2.gz SIXNYGCTEZDZPB-UHFFFAOYSA-N -2 3 317.338 1.860 20 10 DDCDHL O=C([N-]N1Cc2ccccc2C1=O)c1c(F)ccc(O)c1[O-] ZINC001306824577 871362692 /nfs/dbraw/zinc/36/26/92/871362692.db2.gz IDOJIDGDVDRZLS-UHFFFAOYSA-N -2 3 302.261 1.538 20 10 DDCDHL CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)[O-] ZINC000274066138 130202574 /nfs/dbraw/zinc/20/25/74/130202574.db2.gz BDMRTFYWFNQXIC-UHFFFAOYSA-N -2 3 302.124 1.588 20 10 DDCDHL O=C([O-])[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000236439590 598122349 /nfs/dbraw/zinc/12/23/49/598122349.db2.gz YHDSGXYWBBQQFV-NSHDSACASA-N -2 3 316.151 1.440 20 10 DDCDHL O=C(COC(=O)c1ccc([O-])cc1F)c1ccc([O-])c(O)c1 ZINC000784519489 698944465 /nfs/dbraw/zinc/94/44/65/698944465.db2.gz VQIZVMHBXFELCK-UHFFFAOYSA-N -2 3 306.245 1.982 20 10 DDCDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2)c([N+](=O)[O-])c1 ZINC000182419669 697474459 /nfs/dbraw/zinc/47/44/59/697474459.db2.gz GDRXOADAHQBLTM-UHFFFAOYSA-N -2 3 319.298 1.973 20 10 DDCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1cnn2c1OCCC2 ZINC000882712697 707758421 /nfs/dbraw/zinc/75/84/21/707758421.db2.gz INDMOCQZVIHVRP-UHFFFAOYSA-N -2 3 313.310 1.311 20 10 DDCDHL CC(=O)c1cc(Cl)cc(CN(C)Cc2n[n-]c(=O)o2)c1[O-] ZINC000852188764 703960995 /nfs/dbraw/zinc/96/09/95/703960995.db2.gz MSMHLHYUAFTMSL-UHFFFAOYSA-N -2 3 311.725 1.969 20 10 DDCDHL CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1c([O-])cccc1F ZINC000921450584 713774525 /nfs/dbraw/zinc/77/45/25/713774525.db2.gz BAQFBVJJBJVYKW-UHFFFAOYSA-N -2 3 324.399 1.374 20 10 DDCDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193633632 746156493 /nfs/dbraw/zinc/15/64/93/746156493.db2.gz CFVCIRRWCZOGAB-UHFFFAOYSA-N -2 3 311.725 1.461 20 10 DDCDHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000830184490 706471207 /nfs/dbraw/zinc/47/12/07/706471207.db2.gz INGCAZUSTWVOHP-UHFFFAOYSA-N -2 3 323.317 1.611 20 10 DDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cnc(Cl)nc1 ZINC000085201096 746406147 /nfs/dbraw/zinc/40/61/47/746406147.db2.gz NWXYANSONFNILK-UHFFFAOYSA-N -2 3 303.702 1.776 20 10 DDCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1OC1CC1 ZINC001229790285 884163399 /nfs/dbraw/zinc/16/33/99/884163399.db2.gz IFHYYWFZYRNOJX-UHFFFAOYSA-N -2 3 318.281 1.987 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CC[C@H](N(C)C(=O)[O-])C2)c1[O-] ZINC000823627951 604226874 /nfs/dbraw/zinc/22/68/74/604226874.db2.gz LFUUMISDHGHHEY-LBPRGKRZSA-N -2 3 310.325 1.918 20 10 DDCDHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001261029627 899330905 /nfs/dbraw/zinc/33/09/05/899330905.db2.gz IUASGSNLQPUBCA-UHFFFAOYSA-N -2 3 303.290 1.811 20 10 DDCDHL Cc1cc(=O)[n-]c(CN(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000833746704 605439401 /nfs/dbraw/zinc/43/94/01/605439401.db2.gz GSYDDVKCSKFMGD-UHFFFAOYSA-N -2 3 303.318 1.590 20 10 DDCDHL C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000833818686 605678533 /nfs/dbraw/zinc/67/85/33/605678533.db2.gz LSFISESNNYBIKY-ZANVPECISA-N -2 3 314.769 1.903 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2C(=O)[O-])c1[O-] ZINC000851706578 703833726 /nfs/dbraw/zinc/83/37/26/703833726.db2.gz QPEVNRYFVKZBQC-GFCCVEGCSA-N -2 3 313.350 1.736 20 10 DDCDHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc21 ZINC000226860030 407625601 /nfs/dbraw/zinc/62/56/01/407625601.db2.gz CKAKTAXTOPDXSF-UHFFFAOYSA-N -2 3 318.310 1.077 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCC(NC(=O)[O-])CC2)c1[O-] ZINC000823627938 603752152 /nfs/dbraw/zinc/75/21/52/603752152.db2.gz KQBSQYIXDKFHSS-UHFFFAOYSA-N -2 3 310.325 1.966 20 10 DDCDHL CS(C)(=O)=NS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000901683042 710117425 /nfs/dbraw/zinc/11/74/25/710117425.db2.gz PXUQLOQGTISWHA-UHFFFAOYSA-N -2 3 300.308 1.055 20 10 DDCDHL Cc1ncc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)n1C ZINC001198399834 747478162 /nfs/dbraw/zinc/47/81/62/747478162.db2.gz JVDRDBKWNCLWDW-UHFFFAOYSA-N -2 3 303.290 1.513 20 10 DDCDHL Cc1nc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cc(=O)[n-]1 ZINC001147878560 773283786 /nfs/dbraw/zinc/28/37/86/773283786.db2.gz IZQARVNQXDTJTQ-UHFFFAOYSA-N -2 3 311.301 1.222 20 10 DDCDHL O=C([O-])CN(CC(=O)N1CCC1)Cc1cc(Cl)ccc1[O-] ZINC000739783649 600144970 /nfs/dbraw/zinc/14/49/70/600144970.db2.gz GDBYWLDXHOUOGP-UHFFFAOYSA-N -2 3 312.753 1.165 20 10 DDCDHL Cc1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC000738933149 600315047 /nfs/dbraw/zinc/31/50/47/600315047.db2.gz BZLXRQKVNGRVCX-UHFFFAOYSA-N -2 3 311.725 1.824 20 10 DDCDHL Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1C(=O)[O-] ZINC000780837606 698562297 /nfs/dbraw/zinc/56/22/97/698562297.db2.gz KFIFKLHCWQASFF-UHFFFAOYSA-N -2 3 314.294 1.369 20 10 DDCDHL C[C@H](O)C(=O)Oc1cc([O-])ccc1C(=O)c1ccc([O-])c(O)c1 ZINC001231342071 885526288 /nfs/dbraw/zinc/52/62/88/885526288.db2.gz UCQMZZOWQWYCFQ-QMMMGPOBSA-N -2 3 318.281 1.321 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCCN(C(=O)[O-])CC2)c1[O-] ZINC000823628305 604223814 /nfs/dbraw/zinc/22/38/14/604223814.db2.gz OWYDVECSGHVTMC-UHFFFAOYSA-N -2 3 310.325 1.920 20 10 DDCDHL O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820068944 704215116 /nfs/dbraw/zinc/21/51/16/704215116.db2.gz WFBMGMLQYTXTKL-UHFFFAOYSA-N -2 3 323.280 1.345 20 10 DDCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1cn2c(n1)CCCC2 ZINC000758171600 700687000 /nfs/dbraw/zinc/68/70/00/700687000.db2.gz WEQVPUOVGZHRFP-UHFFFAOYSA-N -2 3 311.338 1.865 20 10 DDCDHL O=C(CNC(=O)c1ccc(F)c([O-])c1F)c1ccc([O-])c(O)c1 ZINC001193793374 746194311 /nfs/dbraw/zinc/19/43/11/746194311.db2.gz MKUGWAVZSMDICV-UHFFFAOYSA-N -2 3 323.251 1.694 20 10 DDCDHL Nc1cncc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001215572480 876753843 /nfs/dbraw/zinc/75/38/43/876753843.db2.gz HYEZGYFSYRDOQC-UHFFFAOYSA-N -2 3 301.274 1.448 20 10 DDCDHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1O ZINC000797819573 700025289 /nfs/dbraw/zinc/02/52/89/700025289.db2.gz MVZJQMXVQWIITI-UHFFFAOYSA-N -2 3 323.326 1.900 20 10 DDCDHL CO[C@@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)C1CC1 ZINC000842585666 702736752 /nfs/dbraw/zinc/73/67/52/702736752.db2.gz DFEDYUCPONJIQL-JTQLQIEISA-N -2 3 307.318 1.837 20 10 DDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cnc2n1CCC2 ZINC000830184367 706471084 /nfs/dbraw/zinc/47/10/84/706471084.db2.gz BIGZXDUMKSLMFT-UHFFFAOYSA-N -2 3 315.301 1.614 20 10 DDCDHL C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833817126 605678323 /nfs/dbraw/zinc/67/83/23/605678323.db2.gz GFZLWGAORLFMAP-TVQRCGJNSA-N -2 3 314.769 1.903 20 10 DDCDHL O=C(CNC(=O)c1ccc([O-])c(F)c1)c1ccc([O-])c(O)c1 ZINC001186233751 744360861 /nfs/dbraw/zinc/36/08/61/744360861.db2.gz PKRKSHUVBDLHEI-UHFFFAOYSA-N -2 3 305.261 1.555 20 10 DDCDHL O=c1[n-]c(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n[nH]1 ZINC000091619263 353832205 /nfs/dbraw/zinc/83/22/05/353832205.db2.gz YQBGOXKKCFPUET-LBPRGKRZSA-N -2 3 304.350 1.397 20 10 DDCDHL CO[C@]1(C(=O)[O-])CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000530168456 303178781 /nfs/dbraw/zinc/17/87/81/303178781.db2.gz NEIZLJLVIJORPI-OAHLLOKOSA-N -2 3 311.309 1.409 20 10 DDCDHL O=C(NCc1ncccc1[O-])c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889369 773272113 /nfs/dbraw/zinc/27/21/13/773272113.db2.gz ICYZPKVUVVUQGE-UHFFFAOYSA-N -2 3 310.313 1.196 20 10 DDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000315642564 600678605 /nfs/dbraw/zinc/67/86/05/600678605.db2.gz MAQKUODPDNDZEU-UHFFFAOYSA-N -2 3 323.326 1.905 20 10 DDCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CCCF ZINC001189915745 745030302 /nfs/dbraw/zinc/03/03/02/745030302.db2.gz PQZFCSOKRONOEF-UHFFFAOYSA-N -2 3 309.290 1.419 20 10 DDCDHL O=C([O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364046763 418772853 /nfs/dbraw/zinc/77/28/53/418772853.db2.gz QYLAQEKXTCOTNL-NSHDSACASA-N -2 3 312.753 1.211 20 10 DDCDHL O=C([O-])[C@H](O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000833771306 605248408 /nfs/dbraw/zinc/24/84/08/605248408.db2.gz ZWTCAJBRFKZEIE-CYBMUJFWSA-N -2 3 317.744 1.842 20 10 DDCDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1[O-] ZINC000020555953 696070822 /nfs/dbraw/zinc/07/08/22/696070822.db2.gz HLEPRSPOTZWKPZ-UHFFFAOYSA-N -2 3 310.287 1.807 20 10 DDCDHL C[C@H](NC(=O)[O-])[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000833818684 605678260 /nfs/dbraw/zinc/67/82/60/605678260.db2.gz LSFISESNNYBIKY-TVQRCGJNSA-N -2 3 314.769 1.903 20 10 DDCDHL Nc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399296 875364224 /nfs/dbraw/zinc/36/42/24/875364224.db2.gz VACHSYXWEPNARY-UHFFFAOYSA-N -2 3 309.303 1.683 20 10 DDCDHL O=C([O-])[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000821511257 598129541 /nfs/dbraw/zinc/12/95/41/598129541.db2.gz FDRVPUKPKLRLFK-ZETCQYMHSA-N -2 3 300.698 1.860 20 10 DDCDHL Cc1cc(C)c(C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c(O)c1 ZINC001180176697 779636645 /nfs/dbraw/zinc/63/66/45/779636645.db2.gz LIMHIRCJDORRKA-UHFFFAOYSA-N -2 3 323.242 1.980 20 10 DDCDHL O=C([O-])N[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000834190844 605570867 /nfs/dbraw/zinc/57/08/67/605570867.db2.gz VECNXTQJJRBCET-SECBINFHSA-N -2 3 315.167 1.997 20 10 DDCDHL O=C([O-])c1ccc2c(C=C3SC(=S)[N-]C3=O)[nH]nc2c1 ZINC000765501818 701016363 /nfs/dbraw/zinc/01/63/63/701016363.db2.gz XGRHJSGGZZDZCY-WTKPLQERSA-N -2 3 305.340 1.750 20 10 DDCDHL CC(C)(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(=O)o[n-]1 ZINC001162934767 867926698 /nfs/dbraw/zinc/92/66/98/867926698.db2.gz GDHQRQNTINRGOS-JTQLQIEISA-N -2 3 307.306 1.291 20 10 DDCDHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001260111968 899058249 /nfs/dbraw/zinc/05/82/49/899058249.db2.gz USIURGYEGYXXEX-UHFFFAOYSA-N -2 3 317.317 1.822 20 10 DDCDHL Cn1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1 ZINC000739029537 600315150 /nfs/dbraw/zinc/31/51/50/600315150.db2.gz ZZSLSJGMDZHIHU-UHFFFAOYSA-N -2 3 309.753 1.866 20 10 DDCDHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cccc2nonc21 ZINC000768055391 701155106 /nfs/dbraw/zinc/15/51/06/701155106.db2.gz KBKIURPBTJYTSX-UHFFFAOYSA-N -2 3 309.278 1.868 20 10 DDCDHL O=C([O-])c1ccc(NC(=S)NCc2ncccc2[O-])cc1 ZINC001197131884 747060568 /nfs/dbraw/zinc/06/05/68/747060568.db2.gz SHZINNYWINKBIQ-UHFFFAOYSA-N -2 3 303.343 1.972 20 10 DDCDHL O=C(/C=C/c1ccc(O)c(O)c1)NCCCCP(=O)([O-])[O-] ZINC001179689598 779447944 /nfs/dbraw/zinc/44/79/44/779447944.db2.gz ULOUGRHITUNHCH-GQCTYLIASA-N -2 3 315.262 1.185 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCO[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000825946864 601458420 /nfs/dbraw/zinc/45/84/20/601458420.db2.gz UHRHNDMEGNKVFR-LBPRGKRZSA-N -2 3 311.309 1.409 20 10 DDCDHL O=S(=O)([N-]c1cccc([O-])c1F)c1cccc2nonc21 ZINC000768047122 701154604 /nfs/dbraw/zinc/15/46/04/701154604.db2.gz NKRROYFMNWNIFJ-UHFFFAOYSA-N -2 3 309.278 1.868 20 10 DDCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188139459 744664726 /nfs/dbraw/zinc/66/47/26/744664726.db2.gz UELBDIMHARNWMS-UHFFFAOYSA-N -2 3 303.311 1.612 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCC[C@H]2CNC(=O)[O-])c1[O-] ZINC000823628905 604226749 /nfs/dbraw/zinc/22/67/49/604226749.db2.gz YQHBTVHNOBKPBY-LBPRGKRZSA-N -2 3 310.325 1.966 20 10 DDCDHL Nc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000776434216 698106239 /nfs/dbraw/zinc/10/62/39/698106239.db2.gz AJWNUJMXUVJKGI-UHFFFAOYSA-N -2 3 308.315 1.473 20 10 DDCDHL Nc1c2c(=O)nccc-2[n-]n1C(=O)c1ccc([O-])c(O)c1Cl ZINC001193247162 746029577 /nfs/dbraw/zinc/02/95/77/746029577.db2.gz NFOKKJZKEJYBAS-UHFFFAOYSA-N -2 3 320.692 1.012 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCC[C@@H](NC(=O)[O-])C2)c1[O-] ZINC000823626705 604223625 /nfs/dbraw/zinc/22/36/25/604223625.db2.gz BBMVMBNYOOTFAI-GFCCVEGCSA-N -2 3 310.325 1.966 20 10 DDCDHL CC(C)Cn1[n-]c(CC(=O)NCc2c([O-])cccc2F)cc1=O ZINC000830180010 706470773 /nfs/dbraw/zinc/47/07/73/706470773.db2.gz FYLGDUUXEQWYHS-UHFFFAOYSA-N -2 3 321.352 1.536 20 10 DDCDHL CCN(C)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737066382 600313953 /nfs/dbraw/zinc/31/39/53/600313953.db2.gz BDFYOOFPVKOMEX-UHFFFAOYSA-N -2 3 314.769 1.411 20 10 DDCDHL Nc1cncc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001212005546 741940961 /nfs/dbraw/zinc/94/09/61/741940961.db2.gz NBLCYBRTBIEOFN-UHFFFAOYSA-N -2 3 301.274 1.448 20 10 DDCDHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC001193052297 745973753 /nfs/dbraw/zinc/97/37/53/745973753.db2.gz UDMIDYKESCSDSL-UHFFFAOYSA-N -2 3 305.327 1.615 20 10 DDCDHL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000826126367 604223864 /nfs/dbraw/zinc/22/38/64/604223864.db2.gz ODCXNNVOUSNCNR-APPZFPTMSA-N -2 3 314.363 1.687 20 10 DDCDHL N#CNC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001152610525 863456621 /nfs/dbraw/zinc/45/66/21/863456621.db2.gz YXSZHFNHEYEHHV-UHFFFAOYSA-N -2 3 308.249 1.084 20 10 DDCDHL CC(C)OCc1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1[O-] ZINC000290547220 409441118 /nfs/dbraw/zinc/44/11/18/409441118.db2.gz PZSLQUDZEJWAET-UHFFFAOYSA-N -2 3 311.363 1.841 20 10 DDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c[nH]1 ZINC000758169370 700686574 /nfs/dbraw/zinc/68/65/74/700686574.db2.gz QWGILXLEMYSQRS-UHFFFAOYSA-N -2 3 300.267 1.358 20 10 DDCDHL COC1(CS(=O)(=O)[N-]c2ccc([O-])c(F)c2F)CCC1 ZINC000872373568 707393921 /nfs/dbraw/zinc/39/39/21/707393921.db2.gz KKDXJWFJEODKQH-UHFFFAOYSA-N -2 3 307.318 1.981 20 10 DDCDHL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000228030600 697772629 /nfs/dbraw/zinc/77/26/29/697772629.db2.gz DWTIITICHDRKRJ-UHFFFAOYSA-N -2 3 305.718 1.719 20 10 DDCDHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(O)c1[O-] ZINC000785430494 699077019 /nfs/dbraw/zinc/07/70/19/699077019.db2.gz RRPZPDBSBBJBQL-UHFFFAOYSA-N -2 3 313.269 1.693 20 10 DDCDHL O=C(Nc1ncccc1[O-])c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222614 861858992 /nfs/dbraw/zinc/85/89/92/861858992.db2.gz QUTOZMAFODDOKM-UHFFFAOYSA-N -2 3 314.253 1.557 20 10 DDCDHL CC(C)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736477432 600144400 /nfs/dbraw/zinc/14/44/00/600144400.db2.gz LWYWOWYFMPPXBP-UHFFFAOYSA-N -2 3 314.769 1.457 20 10 DDCDHL Cc1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC000738949613 600144774 /nfs/dbraw/zinc/14/47/74/600144774.db2.gz BKGRLPZIYWTJDA-UHFFFAOYSA-N -2 3 311.725 1.824 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CC[C@@H](N(C)C(=O)[O-])C2)c1[O-] ZINC000823627950 604227015 /nfs/dbraw/zinc/22/70/15/604227015.db2.gz LFUUMISDHGHHEY-GFCCVEGCSA-N -2 3 310.325 1.918 20 10 DDCDHL C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833817123 605678400 /nfs/dbraw/zinc/67/84/00/605678400.db2.gz GFZLWGAORLFMAP-NOZJJQNGSA-N -2 3 314.769 1.903 20 10 DDCDHL O=S(=O)(CCOCC1CC1)[N-]c1ccc([O-])c(F)c1F ZINC000818055419 702566552 /nfs/dbraw/zinc/56/65/52/702566552.db2.gz XPUPPUUNOJYSMY-UHFFFAOYSA-N -2 3 307.318 1.839 20 10 DDCDHL CCCCn1c(=O)[n-]nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000298066564 535133208 /nfs/dbraw/zinc/13/32/08/535133208.db2.gz CGSQQIKITWJBMO-UHFFFAOYSA-N -2 3 323.374 1.758 20 10 DDCDHL CC(=O)c1cc(F)cc(CN(C)[C@H]2CCN(C(=O)[O-])C2)c1[O-] ZINC000823628431 604226723 /nfs/dbraw/zinc/22/67/23/604226723.db2.gz QAZWMUGEHCSNMH-LBPRGKRZSA-N -2 3 310.325 1.918 20 10 DDCDHL O=C([O-])CN(CC(=O)NC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000739783615 600144790 /nfs/dbraw/zinc/14/47/90/600144790.db2.gz CDIQCQUTYOROHU-UHFFFAOYSA-N -2 3 312.753 1.211 20 10 DDCDHL COC(=O)c1coc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000758169808 700686900 /nfs/dbraw/zinc/68/69/00/700686900.db2.gz ZINRTNSUWJRVRI-UHFFFAOYSA-N -2 3 315.278 1.712 20 10 DDCDHL CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000882737234 707767588 /nfs/dbraw/zinc/76/75/88/707767588.db2.gz DQUBVPUTYORAEJ-UHFFFAOYSA-N -2 3 317.317 1.767 20 10 DDCDHL CC[C@@H](C)S(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC ZINC001260742050 899242372 /nfs/dbraw/zinc/24/23/72/899242372.db2.gz WPSZZABBUVBWGH-SSDOTTSWSA-N -2 3 305.327 1.858 20 10 DDCDHL O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1cc(O)c([O-])c(Cl)c1 ZINC001193633757 746156605 /nfs/dbraw/zinc/15/66/05/746156605.db2.gz FZMXTGAFKVWYOW-UHFFFAOYSA-N -2 3 321.680 1.375 20 10 DDCDHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc([O-])c(F)c1F ZINC000830185231 706471041 /nfs/dbraw/zinc/47/10/41/706471041.db2.gz XHOQCFSNAVKCGF-QMMMGPOBSA-N -2 3 307.318 1.981 20 10 DDCDHL COc1ncccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001194705663 746439422 /nfs/dbraw/zinc/43/94/22/746439422.db2.gz MVVDRAWADLRVEO-UHFFFAOYSA-N -2 3 316.285 1.875 20 10 DDCDHL O=C(CNC(=O)c1cc(Cl)ncc1[O-])c1ccc([O-])c(O)c1 ZINC001196400862 746856620 /nfs/dbraw/zinc/85/66/20/746856620.db2.gz RUCIRVYAFXCVID-UHFFFAOYSA-N -2 3 322.704 1.465 20 10 DDCDHL O=C([O-])CN1C(=O)/C(=C/c2ccc([O-])c(F)c2)SC1=S ZINC000755405343 700564698 /nfs/dbraw/zinc/56/46/98/700564698.db2.gz YMPVCGWZTYVVTM-WTKPLQERSA-N -2 3 313.331 1.817 20 10 DDCDHL O=C([O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364046762 418773237 /nfs/dbraw/zinc/77/32/37/418773237.db2.gz QYLAQEKXTCOTNL-LLVKDONJSA-N -2 3 312.753 1.211 20 10 DDCDHL CO[C@@]1(C(=O)[O-])CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000530168452 303178833 /nfs/dbraw/zinc/17/88/33/303178833.db2.gz NEIZLJLVIJORPI-HNNXBMFYSA-N -2 3 311.309 1.409 20 10 DDCDHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)cc1 ZINC001191612083 745565943 /nfs/dbraw/zinc/56/59/43/745565943.db2.gz OGGWKWKYJGSOID-UHFFFAOYSA-N -2 3 324.333 1.692 20 10 DDCDHL COC(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)[n-]1 ZINC000796366453 699929463 /nfs/dbraw/zinc/92/94/63/699929463.db2.gz QIOCYLSBONGAST-UHFFFAOYSA-N -2 3 319.269 1.252 20 10 DDCDHL O=C1[N-]C(=S)SC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826482016 607916267 /nfs/dbraw/zinc/91/62/67/607916267.db2.gz PHHZUHOZBDLVNA-XBXARRHUSA-N -2 3 307.335 1.495 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC(=O)[O-])c1[O-] ZINC000846269784 703258741 /nfs/dbraw/zinc/25/87/41/703258741.db2.gz OQXYEJSENWINFI-LBPRGKRZSA-N -2 3 311.309 1.409 20 10 DDCDHL Nc1ccc(N)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210398989 875363898 /nfs/dbraw/zinc/36/38/98/875363898.db2.gz LQGOWEAOILSWAL-UHFFFAOYSA-N -2 3 324.318 1.266 20 10 DDCDHL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000826126368 604223720 /nfs/dbraw/zinc/22/37/20/604223720.db2.gz ODCXNNVOUSNCNR-CBAPKCEASA-N -2 3 314.363 1.687 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CNC(=O)[O-])c1[O-] ZINC000823628904 604227057 /nfs/dbraw/zinc/22/70/57/604227057.db2.gz YQHBTVHNOBKPBY-GFCCVEGCSA-N -2 3 310.325 1.966 20 10 DDCDHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c(F)ccc(O)c1[O-] ZINC000790070192 699440803 /nfs/dbraw/zinc/44/08/03/699440803.db2.gz JXDFENFCTSTPKN-UHFFFAOYSA-N -2 3 306.175 1.626 20 10 DDCDHL C[C@H](O)C(=O)Oc1c(O)c([O-])ccc1C(=O)c1ccc([O-])cc1 ZINC001228115936 883343523 /nfs/dbraw/zinc/34/35/23/883343523.db2.gz SATGOQJPYLPWFV-QMMMGPOBSA-N -2 3 318.281 1.321 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCN(C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000823626702 604226925 /nfs/dbraw/zinc/22/69/25/604226925.db2.gz AXNADDGJMWRNRS-VIFPVBQESA-N -2 3 310.325 1.918 20 10 DDCDHL COc1nc(S(=O)(=O)[N-]c2ccc([O-])cc2F)ccc1F ZINC001190094415 745098113 /nfs/dbraw/zinc/09/81/13/745098113.db2.gz JRVKKXLXPTXQII-UHFFFAOYSA-N -2 3 316.285 1.875 20 10 DDCDHL CC(C)(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(=O)o[n-]1 ZINC001162934768 867926282 /nfs/dbraw/zinc/92/62/82/867926282.db2.gz GDHQRQNTINRGOS-SNVBAGLBSA-N -2 3 307.306 1.291 20 10 DDCDHL Cn1cnnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739057304 600314717 /nfs/dbraw/zinc/31/47/17/600314717.db2.gz KMVGIQSXMGELBW-UHFFFAOYSA-N -2 3 310.741 1.261 20 10 DDCDHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)cn1 ZINC001195722717 746685893 /nfs/dbraw/zinc/68/58/93/746685893.db2.gz FYDXMLZFVZBAJS-UHFFFAOYSA-N -2 3 316.285 1.875 20 10 DDCDHL Nc1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210398530 875363918 /nfs/dbraw/zinc/36/39/18/875363918.db2.gz LLGRBKAHQRRZGO-UHFFFAOYSA-N -2 3 309.303 1.683 20 10 DDCDHL CCn1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)cn1 ZINC001259838265 898853776 /nfs/dbraw/zinc/85/37/76/898853776.db2.gz ZXASIHMRAFQRNA-UHFFFAOYSA-N -2 3 303.290 1.688 20 10 DDCDHL CCCNC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737024802 600144269 /nfs/dbraw/zinc/14/42/69/600144269.db2.gz KGXYIYQZYCSCQE-UHFFFAOYSA-N -2 3 314.769 1.458 20 10 DDCDHL Cn1ncnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833062213 601418777 /nfs/dbraw/zinc/41/87/77/601418777.db2.gz NICVQDDMIVCLRJ-UHFFFAOYSA-N -2 3 310.741 1.261 20 10 DDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c[nH]1 ZINC000225613771 697765718 /nfs/dbraw/zinc/76/57/18/697765718.db2.gz DEDRLYRPAWGLQG-UHFFFAOYSA-N -3 3 316.722 1.873 20 10 DDCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CC1CC1 ZINC001188973877 744802511 /nfs/dbraw/zinc/80/25/11/744802511.db2.gz NVFLZNZYMWCYOW-UHFFFAOYSA-N -2 3 303.311 1.470 20 10 DDCDHL O=C(CNC(=O)c1c([O-])ccc(F)c1F)c1ccc([O-])c(O)c1 ZINC001192786238 745891511 /nfs/dbraw/zinc/89/15/11/745891511.db2.gz MDWGWBMAMXYVCZ-UHFFFAOYSA-N -2 3 323.251 1.694 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCC(O)(C(=O)[O-])CC2)c1[O-] ZINC000833400623 604723625 /nfs/dbraw/zinc/72/36/25/604723625.db2.gz JIYKYGJBHJHFTC-UHFFFAOYSA-N -2 3 311.309 1.145 20 10 DDCDHL C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000833817124 605678312 /nfs/dbraw/zinc/67/83/12/605678312.db2.gz GFZLWGAORLFMAP-RNCFNFMXSA-N -2 3 314.769 1.903 20 10 DDCDHL O=C([O-])c1ccc2c(C=C3SC(=S)[N-]C3=O)[nH]nc2c1 ZINC000765501817 701016312 /nfs/dbraw/zinc/01/63/12/701016312.db2.gz XGRHJSGGZZDZCY-RUDMXATFSA-N -2 3 305.340 1.750 20 10 DDCDHL O=C([N-]CC1CN(Cc2ccc(F)c(F)c2[O-])C1)C(F)(F)F ZINC000877776525 706206941 /nfs/dbraw/zinc/20/69/41/706206941.db2.gz NVQGSOLBROFPDJ-UHFFFAOYSA-N -2 3 324.249 1.781 20 10 DDCDHL O=C([O-])[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000821511256 598129799 /nfs/dbraw/zinc/12/97/99/598129799.db2.gz FDRVPUKPKLRLFK-SSDOTTSWSA-N -2 3 300.698 1.860 20 10 DDCDHL COC(=O)CN(CCCC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737619422 600319109 /nfs/dbraw/zinc/31/91/09/600319109.db2.gz HHTWAVDJBXKKKX-UHFFFAOYSA-N -2 3 315.753 1.885 20 10 DDCDHL Cc1nc(CNCc2cc([N+](=O)[O-])ccc2[O-])ccc1C(=O)[O-] ZINC000756307203 700613977 /nfs/dbraw/zinc/61/39/77/700613977.db2.gz BMYANXWBQPIAMU-UHFFFAOYSA-N -2 3 317.301 1.992 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1[O-] ZINC000530173268 303179529 /nfs/dbraw/zinc/17/95/29/303179529.db2.gz SWTVZXOXLFKYMA-OQPBUACISA-N -2 3 311.309 1.408 20 10 DDCDHL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000826126372 604224246 /nfs/dbraw/zinc/22/42/46/604224246.db2.gz ODCXNNVOUSNCNR-VXNVDRBHSA-N -2 3 314.363 1.687 20 10 DDCDHL CS(C)(=O)=NS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl ZINC000901962580 710186172 /nfs/dbraw/zinc/18/61/72/710186172.db2.gz ICTBQZPARGTZQQ-UHFFFAOYSA-N -2 3 316.763 1.569 20 10 DDCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OC3COC3)c12 ZINC001234746695 888195259 /nfs/dbraw/zinc/19/52/59/888195259.db2.gz CHEYSUJQDQYSIQ-UHFFFAOYSA-N -2 3 316.265 1.841 20 10 DDCDHL O=C([O-])[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000300438736 598121995 /nfs/dbraw/zinc/12/19/95/598121995.db2.gz YHDSGXYWBBQQFV-LLVKDONJSA-N -2 3 316.151 1.440 20 10 DDCDHL Cc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)c([O-])c1O ZINC000832913679 601333966 /nfs/dbraw/zinc/33/39/66/601333966.db2.gz ORPLUIORUQHLFC-UHFFFAOYSA-N -2 3 308.315 1.742 20 10 DDCDHL O=C(CNC(=O)c1ccc([O-])c(F)c1F)c1ccc([O-])c(O)c1 ZINC001192842874 745913270 /nfs/dbraw/zinc/91/32/70/745913270.db2.gz NZVFMVZTLASDEF-UHFFFAOYSA-N -2 3 323.251 1.694 20 10 DDCDHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cccc(O)c1[O-] ZINC000793949000 699788658 /nfs/dbraw/zinc/78/86/58/699788658.db2.gz GUSZHHOJJLIPSE-UHFFFAOYSA-N -2 3 313.273 1.031 20 10 DDCDHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc(O)c1[O-] ZINC000803409261 701111633 /nfs/dbraw/zinc/11/16/33/701111633.db2.gz WPVHTCYTHRFMGL-UHFFFAOYSA-N -2 3 312.285 1.841 20 10 DDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)cn1 ZINC001195716512 746684256 /nfs/dbraw/zinc/68/42/56/746684256.db2.gz AWRDBUKSGWVZCX-UHFFFAOYSA-N -2 3 316.285 1.875 20 10 DDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cnc(Cl)nc1 ZINC001185040788 744149573 /nfs/dbraw/zinc/14/95/73/744149573.db2.gz KXQCYVBSSGNHHR-UHFFFAOYSA-N -2 3 321.692 1.915 20 10 DDCDHL O=C([O-])N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000834112684 605465616 /nfs/dbraw/zinc/46/56/16/605465616.db2.gz HKCWWPLHYGISNZ-UHFFFAOYSA-N -2 3 315.167 1.950 20 10 DDCDHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cn1 ZINC001195724981 746676799 /nfs/dbraw/zinc/67/67/99/746676799.db2.gz OVGRBZKULDUBNS-UHFFFAOYSA-N -2 3 316.285 1.875 20 10 DDCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1N ZINC001210401284 875364872 /nfs/dbraw/zinc/36/48/72/875364872.db2.gz TVANGFDYLUFYGJ-UHFFFAOYSA-N -2 3 323.330 1.992 20 10 DDCDHL CS(=O)(=O)[N-]c1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001252727615 895422457 /nfs/dbraw/zinc/42/24/57/895422457.db2.gz XUTNNJMOCQEWPT-UHFFFAOYSA-N -2 3 317.322 1.539 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCSC[C@H]2C(=O)[O-])c1[O-] ZINC000851706579 703833532 /nfs/dbraw/zinc/83/35/32/703833532.db2.gz QPEVNRYFVKZBQC-LBPRGKRZSA-N -2 3 313.350 1.736 20 10 DDCDHL CN(C)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737349862 600313995 /nfs/dbraw/zinc/31/39/95/600313995.db2.gz IFXZXYPIRKAYNY-UHFFFAOYSA-N -2 3 300.742 1.020 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC(=O)[O-])c1[O-] ZINC000846269783 703258739 /nfs/dbraw/zinc/25/87/39/703258739.db2.gz OQXYEJSENWINFI-GFCCVEGCSA-N -2 3 311.309 1.409 20 10 DDCDHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cccc2nonc21 ZINC001260440701 899142030 /nfs/dbraw/zinc/14/20/30/899142030.db2.gz GBNVSQOCHNKLRR-UHFFFAOYSA-N -2 3 309.278 1.868 20 10 DDCDHL CN(C)C(=O)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC000098082430 866674850 /nfs/dbraw/zinc/67/48/50/866674850.db2.gz SYFUYXDWNQNZAN-UHFFFAOYSA-N -2 3 311.293 1.575 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCN(C(=O)[O-])C[C@H]2C)c1[O-] ZINC000823626655 604224047 /nfs/dbraw/zinc/22/40/47/604224047.db2.gz AMTGJHWYQAPGFR-SECBINFHSA-N -2 3 310.325 1.918 20 10 DDCDHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000386285760 699076866 /nfs/dbraw/zinc/07/68/66/699076866.db2.gz PINDLIBQGYGURG-UHFFFAOYSA-N -2 3 323.326 1.656 20 10 DDCDHL O=C([O-])C1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC001343057115 872486580 /nfs/dbraw/zinc/48/65/80/872486580.db2.gz WOIFCFWBTHWFGR-UHFFFAOYSA-N -2 3 310.325 1.974 20 10 DDCDHL O=C([O-])[C@@H](O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000833771307 605249309 /nfs/dbraw/zinc/24/93/09/605249309.db2.gz ZWTCAJBRFKZEIE-ZDUSSCGKSA-N -2 3 317.744 1.842 20 10 DDCDHL Nc1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)ccc1O ZINC001215573692 733522233 /nfs/dbraw/zinc/52/22/33/733522233.db2.gz NYCSXWAEXFJBRW-UHFFFAOYSA-N -2 3 316.285 1.759 20 10 DDCDHL CCCCS(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC ZINC001253863699 896148875 /nfs/dbraw/zinc/14/88/75/896148875.db2.gz CDJBPWXTYMCRDA-UHFFFAOYSA-N -2 3 305.327 1.860 20 10 DDCDHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001261028448 899330336 /nfs/dbraw/zinc/33/03/36/899330336.db2.gz SGFHECKGEUKMFT-UHFFFAOYSA-N -2 3 303.290 1.811 20 10 DDCDHL CO[C@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)C1CC1 ZINC000842585668 702736653 /nfs/dbraw/zinc/73/66/53/702736653.db2.gz DFEDYUCPONJIQL-SNVBAGLBSA-N -2 3 307.318 1.837 20 10 DDCDHL O=C(N=c1ncnc2[nH][n-]cc1-2)c1cc(O)c([O-])c(Cl)c1 ZINC001193589339 746139968 /nfs/dbraw/zinc/13/99/68/746139968.db2.gz JJJBGBVZDYSBED-UHFFFAOYSA-N -2 3 305.681 1.043 20 10 DDCDHL Cc1ncc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)n1C ZINC001198391729 747491691 /nfs/dbraw/zinc/49/16/91/747491691.db2.gz DUDCNUMEWZJMCP-UHFFFAOYSA-N -2 3 303.290 1.513 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2CCO[C@H](CC(=O)[O-])C2)c1[O-] ZINC000825946863 601458235 /nfs/dbraw/zinc/45/82/35/601458235.db2.gz UHRHNDMEGNKVFR-GFCCVEGCSA-N -2 3 311.309 1.409 20 10 DDCDHL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000826126370 604223850 /nfs/dbraw/zinc/22/38/50/604223850.db2.gz ODCXNNVOUSNCNR-IONNQARKSA-N -2 3 314.363 1.687 20 10 DDCDHL O=C([O-])CN1C(=O)/C(=C\c2ccc([O-])c(F)c2)SC1=S ZINC000755405339 700564690 /nfs/dbraw/zinc/56/46/90/700564690.db2.gz YMPVCGWZTYVVTM-RUDMXATFSA-N -2 3 313.331 1.817 20 10 DDCDHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000315524979 879093597 /nfs/dbraw/zinc/09/35/97/879093597.db2.gz ILDCJDODNOSAPC-UHFFFAOYSA-N -2 3 323.326 1.905 20 10 DDCDHL Cn1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)nc1Cl ZINC000758169335 700686714 /nfs/dbraw/zinc/68/67/14/700686714.db2.gz PAEHJIRDEXMQGX-UHFFFAOYSA-N -2 3 305.718 1.719 20 10 DDCDHL O=C(CCc1ccc(O)c(O)c1)NCCCCP(=O)([O-])[O-] ZINC001182155372 743501422 /nfs/dbraw/zinc/50/14/22/743501422.db2.gz GTDYPZXGYJZSHC-UHFFFAOYSA-N -2 3 317.278 1.105 20 10 DDCDHL COC(=O)CN(CCC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000820667943 601380818 /nfs/dbraw/zinc/38/08/18/601380818.db2.gz DYKDHOJEXPGZII-UHFFFAOYSA-N -2 3 301.726 1.495 20 10 DDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000013463976 605523545 /nfs/dbraw/zinc/52/35/45/605523545.db2.gz OBJUIBSICMCSSV-UHFFFAOYSA-N -2 3 323.326 1.900 20 10 DDCDHL O=C([O-])N[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000834190847 605570238 /nfs/dbraw/zinc/57/02/38/605570238.db2.gz VECNXTQJJRBCET-VIFPVBQESA-N -2 3 315.167 1.997 20 10 DDCDHL Nc1ccc(N)c(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001215577045 876754279 /nfs/dbraw/zinc/75/42/79/876754279.db2.gz QVMMAXMWPYFURC-UHFFFAOYSA-N -2 3 315.301 1.636 20 10 DDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(=O)[O-] ZINC000226856765 201789871 /nfs/dbraw/zinc/78/98/71/201789871.db2.gz VLCTZBQOQOWOBX-UHFFFAOYSA-N -2 3 323.326 1.900 20 10 DDCDHL CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1[O-] ZINC000846291686 703262601 /nfs/dbraw/zinc/26/26/01/703262601.db2.gz SWTVZXOXLFKYMA-AMIZOPFISA-N -2 3 311.309 1.408 20 10 DDCDHL