smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc(C(=O)[O-])c1Cl ZINC000776748798 879923831 /nfs/dbraw/zinc/92/38/31/879923831.db2.gz IKGXKMLVVPRSOB-UHFFFAOYSA-N -3 3 376.217 3.506 20 10 GHCDHL Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1)OCO2 ZINC000794872647 888599421 /nfs/dbraw/zinc/59/94/21/888599421.db2.gz LCBNCRYDFAVYLS-UHFFFAOYSA-N -2 3 376.217 3.537 20 10 GHCDHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001191301044 917904931 /nfs/dbraw/zinc/90/49/31/917904931.db2.gz QUHHJOFNWZIEME-UHFFFAOYSA-N -2 3 378.194 3.542 20 10 GHCDHL Cc1cccc(-c2nnc(-c3cc([O-])c4c(c3)C(=O)c3cccc([O-])c3C4=O)o2)c1 ZINC001253629079 1039735920 /nfs/dbraw/zinc/73/59/20/1039735920.db2.gz YEJAGLVEFQVWIF-UHFFFAOYSA-N -2 3 398.374 3.899 20 10 GHCDHL O=C([O-])CN(Cc1ncc(-c2cccs2)o1)Cc1cc(Cl)ccc1[O-] ZINC000739799569 600145782 /nfs/dbraw/zinc/14/57/82/600145782.db2.gz VQBRSOFZIAJOKW-UHFFFAOYSA-N -2 3 378.837 3.849 20 10 GHCDHL O=C([O-])CN(Cc1coc(-c2cccc(F)c2)n1)Cc1cc(Cl)ccc1[O-] ZINC000739799432 600627708 /nfs/dbraw/zinc/62/77/08/600627708.db2.gz JCISRUJKSSSIIA-UHFFFAOYSA-N -2 3 390.798 3.927 20 10 GHCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(Oc2ccncc2)cc1 ZINC001201622358 875797623 /nfs/dbraw/zinc/79/76/23/875797623.db2.gz GGIJHCDUWWIZPA-UHFFFAOYSA-N -2 3 378.356 3.659 20 10 GHCDHL O=C(Nc1cccc2cc[nH]c21)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001152607695 1031301824 /nfs/dbraw/zinc/30/18/24/1031301824.db2.gz VGPORQSLNXNOOT-UHFFFAOYSA-N -2 3 398.374 3.607 20 10 GHCDHL C[C@H]1CC[C@@H](Oc2cc([O-])cc3oc(-c4cc(O)c([O-])c(O)c4)cc(=O)c23)C1 ZINC001229443703 1033483698 /nfs/dbraw/zinc/48/36/98/1033483698.db2.gz SKQJEPLIMBOPIJ-GXFFZTMASA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@@H]1CC(Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H](C)C1 ZINC001229786602 1033713106 /nfs/dbraw/zinc/71/31/06/1033713106.db2.gz OQWZFRMIBZUTFI-QWRGUYRKSA-N -2 3 388.416 3.649 20 10 GHCDHL C[C@@H]1CCC[C@@H](C)C1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790893 1033716197 /nfs/dbraw/zinc/71/61/97/1033716197.db2.gz KIEFAMUHADHYFZ-GHMZBOCLSA-N -2 3 388.416 3.649 20 10 GHCDHL COc1ccc([C@H](C)Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)cn1 ZINC001234749757 1040276697 /nfs/dbraw/zinc/27/66/97/1040276697.db2.gz WOKZATFODJSMSJ-JTQLQIEISA-N -2 3 395.367 3.607 20 10 GHCDHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc([O-])c(Br)c1 ZINC001257614791 1044087275 /nfs/dbraw/zinc/08/72/75/1044087275.db2.gz JNKAFISQMWVKBV-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)cc1Cl ZINC001260972357 1045789914 /nfs/dbraw/zinc/78/99/14/1045789914.db2.gz AFYBAJYFMOSSTR-UHFFFAOYSA-N -2 3 392.658 3.618 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000808114984 886024137 /nfs/dbraw/zinc/02/41/37/886024137.db2.gz KAQMPWWTROFZKO-UHFFFAOYSA-N -2 3 385.722 3.884 20 10 GHCDHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c(C)c(C)c1O ZINC000775288632 916858975 /nfs/dbraw/zinc/85/89/75/916858975.db2.gz OIEQSDYHTHTCEN-UHFFFAOYSA-N -2 3 387.816 3.609 20 10 GHCDHL C[C@@H]1CC[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)c(O)c2)C1 ZINC001227460671 1032428979 /nfs/dbraw/zinc/42/89/79/1032428979.db2.gz IXOGASCWOBSZPO-ZWNOBZJWSA-N -2 3 384.384 3.850 20 10 GHCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001227651296 1032504267 /nfs/dbraw/zinc/50/42/67/1032504267.db2.gz TYXOJCDSSMZMSR-VGTOOOLASA-N -2 3 396.395 3.850 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CCOC(C)(C)C3)c1C2=O ZINC001227994577 1032729229 /nfs/dbraw/zinc/72/92/29/1032729229.db2.gz NLUXMNLUDTUDOJ-ZDUSSCGKSA-N -2 3 382.412 3.518 20 10 GHCDHL Cc1ccc(F)cc1NC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001152601944 1031299595 /nfs/dbraw/zinc/29/95/95/1031299595.db2.gz NUFSRLGTXJBTMO-UHFFFAOYSA-N -2 3 391.354 3.573 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@H]3CCc4cccnc43)c12 ZINC001234746723 1040272688 /nfs/dbraw/zinc/27/26/88/1040272688.db2.gz DEDUCLSMAOPHBA-HNNXBMFYSA-N -2 3 377.352 3.524 20 10 GHCDHL CCn1c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc2c1cccc2F ZINC000737294543 600313816 /nfs/dbraw/zinc/31/38/16/600313816.db2.gz URNGIOXKDXPUBT-UHFFFAOYSA-N -2 3 391.830 3.641 20 10 GHCDHL CCN(CCC(=O)[O-])Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000737096876 600424501 /nfs/dbraw/zinc/42/45/01/600424501.db2.gz SGYITIGNLMXZFH-UHFFFAOYSA-N -2 3 381.428 3.771 20 10 GHCDHL COCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000766892313 872060973 /nfs/dbraw/zinc/06/09/73/872060973.db2.gz QAPXJPLRJVXPLM-UHFFFAOYSA-N -2 3 392.260 3.525 20 10 GHCDHL O=S(=O)([N-]Cc1c([O-])cccc1F)c1c(Cl)cc(Cl)cc1Cl ZINC001213797483 1028381193 /nfs/dbraw/zinc/38/11/93/1028381193.db2.gz DHVMPYGNNKFSIV-UHFFFAOYSA-N -2 3 384.643 3.970 20 10 GHCDHL C[C@H]1CC[C@H](Oc2cc([O-])cc3oc(-c4cc(O)c([O-])c(O)c4)cc(=O)c23)C1 ZINC001229443701 1033484197 /nfs/dbraw/zinc/48/41/97/1033484197.db2.gz SKQJEPLIMBOPIJ-GWCFXTLKSA-N -2 3 384.384 3.850 20 10 GHCDHL Cc1oc2c(ccc([O-])c2CN2CCC[C@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000738977437 600420280 /nfs/dbraw/zinc/42/02/80/600420280.db2.gz YHKWEDSCRZXRAG-INIZCTEOSA-N -2 3 393.439 3.771 20 10 GHCDHL C[C@H](Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1)C1CCC1 ZINC001227647821 1032502355 /nfs/dbraw/zinc/50/23/55/1032502355.db2.gz HJNUJERISQUXOB-JTQLQIEISA-N -2 3 384.384 3.850 20 10 GHCDHL CC[C@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)(C)C ZINC001229785092 1033711162 /nfs/dbraw/zinc/71/11/62/1033711162.db2.gz DFEXEVONEXGPJL-HNNXBMFYSA-N -2 3 376.405 3.649 20 10 GHCDHL CCCCCc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc([O-])c2C3=O)o1 ZINC001256080083 1041512705 /nfs/dbraw/zinc/51/27/05/1041512705.db2.gz SHYKSWBDNYPZRM-UHFFFAOYSA-N -2 3 378.384 3.656 20 10 GHCDHL CCn1c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc2cc(F)ccc21 ZINC000737294083 600144040 /nfs/dbraw/zinc/14/40/40/600144040.db2.gz MNRHZXPAFJXGJR-UHFFFAOYSA-N -2 3 391.830 3.641 20 10 GHCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(Br)cc1Cl ZINC001184806230 913417069 /nfs/dbraw/zinc/41/70/69/913417069.db2.gz FLIICDUDKDLMKD-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cc(Br)ccc1Cl ZINC001189751165 916874393 /nfs/dbraw/zinc/87/43/93/916874393.db2.gz PAOPVTCIZFCBMM-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2[O-])c(F)c1F ZINC001190975043 917677671 /nfs/dbraw/zinc/67/76/71/917677671.db2.gz DPGYRYIVDYZTIW-UHFFFAOYSA-N -2 3 382.215 3.764 20 10 GHCDHL C[C@H]1CC[C@@H](Oc2c(=O)c3ccc([O-])cc3oc2-c2cc(O)c([O-])c(O)c2)C1 ZINC001227650264 1032503336 /nfs/dbraw/zinc/50/33/36/1032503336.db2.gz NLDYBSSLRLBENW-GXFFZTMASA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@H](COc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)Oc1ccccc1 ZINC001234754570 1040282374 /nfs/dbraw/zinc/28/23/74/1040282374.db2.gz XJYZIYBMMAICNV-GFCCVEGCSA-N -2 3 394.379 3.909 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000755984442 1050906297 /nfs/dbraw/zinc/90/62/97/1050906297.db2.gz SXSJJFSNSXZNIX-UHFFFAOYSA-N -2 3 389.473 3.812 20 10 GHCDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCOC[C@@H]2c2ccccc2)c1[O-] ZINC000743402039 868164197 /nfs/dbraw/zinc/16/41/97/868164197.db2.gz HCTMPWYRPLOFMU-OAQYLSRUSA-N -2 3 389.451 3.902 20 10 GHCDHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808115821 886026170 /nfs/dbraw/zinc/02/61/70/886026170.db2.gz UGSHFSRBXZEXHK-UHFFFAOYSA-N -3 3 394.207 3.646 20 10 GHCDHL Cc1cc(Br)c([O-])c(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001594269909 959790045 /nfs/dbraw/zinc/79/00/45/959790045.db2.gz DLNGTNQVFCCPTE-OAHLLOKOSA-N -2 3 376.250 3.647 20 10 GHCDHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1)C1=CC=C[CH]1 ZINC001227462039 1032429832 /nfs/dbraw/zinc/42/98/32/1032429832.db2.gz FBGCJHMQKXSTHH-LLVKDONJSA-N -3 3 393.371 3.750 20 10 GHCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001227650256 1032503373 /nfs/dbraw/zinc/50/33/73/1032503373.db2.gz NKBCCWGXPIUJQN-RVPKQNPDSA-N -2 3 394.379 3.626 20 10 GHCDHL Cc1cccc([C@H](C)Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001229794193 1033721896 /nfs/dbraw/zinc/72/18/96/1033721896.db2.gz ZVWXDHLQSVIHGG-LBPRGKRZSA-N -2 3 396.395 3.894 20 10 GHCDHL O=C([O-])c1nnc(Cl)cc1C(F)(F)NCc1cc2ccccc2cc1[O-] ZINC001160214076 1034903305 /nfs/dbraw/zinc/90/33/05/1034903305.db2.gz UDFWWVHTWJFUSL-UHFFFAOYSA-N -2 3 379.750 3.526 20 10 GHCDHL O=C1c2cccc([O-])c2C(=O)c2c([O-])cc(-c3nnc(Cc4ccccc4)o3)cc21 ZINC001253495738 1039676582 /nfs/dbraw/zinc/67/65/82/1039676582.db2.gz LONOVNLUOYGSJP-UHFFFAOYSA-N -2 3 398.374 3.514 20 10 GHCDHL C[C@H](Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1)C(F)(F)F ZINC001234736930 1040262768 /nfs/dbraw/zinc/26/27/68/1040262768.db2.gz GPUALHMUSLXKSW-ZETCQYMHSA-N -2 3 398.289 3.612 20 10 GHCDHL O=C(c1ccccc1)c1ccc([O-])c(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1[O-] ZINC001322142171 1056538197 /nfs/dbraw/zinc/53/81/97/1056538197.db2.gz ULYOONPNSKLXAQ-UHFFFAOYSA-N -2 3 390.395 3.753 20 10 GHCDHL O=C([O-])CN(Cc1coc(-c2cccs2)n1)Cc1cc(Cl)ccc1[O-] ZINC000739799358 600145550 /nfs/dbraw/zinc/14/55/50/600145550.db2.gz BQNOMGUHNKYJSJ-UHFFFAOYSA-N -2 3 378.837 3.849 20 10 GHCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000766048776 862561320 /nfs/dbraw/zinc/56/13/20/862561320.db2.gz VYPJBFYEICFOBQ-UHFFFAOYSA-N -2 3 375.446 3.624 20 10 GHCDHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001196552372 873206436 /nfs/dbraw/zinc/20/64/36/873206436.db2.gz NBYDLWOBIGXXLV-UHFFFAOYSA-N -2 3 378.194 3.542 20 10 GHCDHL O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1c(F)cccc1Cl ZINC000805135956 883615062 /nfs/dbraw/zinc/61/50/62/883615062.db2.gz XAAUIZHZYZIUOK-UHFFFAOYSA-N -2 3 384.643 3.970 20 10 GHCDHL Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c(C)c(C)c1O ZINC000775291457 916838516 /nfs/dbraw/zinc/83/85/16/916838516.db2.gz HHKAPNVIIDUFPA-UHFFFAOYSA-N -2 3 391.489 3.671 20 10 GHCDHL C[C@H](Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12)C(F)(F)F ZINC001229444099 1033483985 /nfs/dbraw/zinc/48/39/85/1033483985.db2.gz UKSHVKIECTZPPM-ZETCQYMHSA-N -2 3 398.289 3.612 20 10 GHCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1OC1CCCCCCC1 ZINC001229791477 1033718533 /nfs/dbraw/zinc/71/85/33/1033718533.db2.gz NETIEHSTIFPAFA-UHFFFAOYSA-N -2 3 388.416 3.937 20 10 GHCDHL CCO[C@H](C)c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1 ZINC000737156086 600261592 /nfs/dbraw/zinc/26/15/92/600261592.db2.gz BXHXRPPWGSTSJY-LLVKDONJSA-N -2 3 384.885 3.686 20 10 GHCDHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc2F)c1 ZINC000808115681 886025778 /nfs/dbraw/zinc/02/57/78/886025778.db2.gz OBMZJYQENDFHAU-UHFFFAOYSA-N -2 3 399.806 3.619 20 10 GHCDHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1Cl ZINC000808114446 886026493 /nfs/dbraw/zinc/02/64/93/886026493.db2.gz YSSCLBMDXRBPML-UHFFFAOYSA-N -2 3 393.223 3.597 20 10 GHCDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)cc1C ZINC000811704288 889878077 /nfs/dbraw/zinc/87/80/77/889878077.db2.gz DCYBECXPJRJGMC-UHFFFAOYSA-N -2 3 394.449 3.643 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)c3cccnc3)c1C2=O ZINC001227993281 1032728838 /nfs/dbraw/zinc/72/88/38/1032728838.db2.gz AGCXXIDRNFPQKI-LBPRGKRZSA-N -2 3 375.380 3.717 20 10 GHCDHL C[C@@H](Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12)C(F)(F)F ZINC001229444097 1033484265 /nfs/dbraw/zinc/48/42/65/1033484265.db2.gz UKSHVKIECTZPPM-SSDOTTSWSA-N -2 3 398.289 3.612 20 10 GHCDHL C[C@@H](COc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)Oc1ccccc1 ZINC001234754573 1040284007 /nfs/dbraw/zinc/28/40/07/1040284007.db2.gz XJYZIYBMMAICNV-LBPRGKRZSA-N -2 3 394.379 3.909 20 10 GHCDHL COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(Br)c1 ZINC001260770703 1045649851 /nfs/dbraw/zinc/64/98/51/1045649851.db2.gz AEWVSOJLXSTUGS-UHFFFAOYSA-N -2 3 386.267 3.581 20 10 GHCDHL COc1cccc([C@@H](CC(=O)[O-])NCc2c([O-])ccc(Cl)c2F)c1OC ZINC000756336691 1051036960 /nfs/dbraw/zinc/03/69/60/1051036960.db2.gz GHHUSXLTKXLSLH-CYBMUJFWSA-N -2 3 383.803 3.508 20 10 GHCDHL CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001322834858 1056862156 /nfs/dbraw/zinc/86/21/56/1056862156.db2.gz JSUOIRCDFZTHKP-UHFFFAOYSA-N -2 3 389.452 3.856 20 10 GHCDHL O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)c3cccc1c23 ZINC000808114165 886026679 /nfs/dbraw/zinc/02/66/79/886026679.db2.gz SOHLUSQOTPJPRR-UHFFFAOYSA-N -2 3 392.795 3.704 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1Cl)c1cncc(Br)c1 ZINC001186411969 914509142 /nfs/dbraw/zinc/50/91/42/914509142.db2.gz NYLKIAMPKCMAQD-UHFFFAOYSA-N -2 3 398.065 3.657 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)c3ccccn3)c1C2=O ZINC001227994295 1032729652 /nfs/dbraw/zinc/72/96/52/1032729652.db2.gz MJGKAYHDMUEWCR-GFCCVEGCSA-N -2 3 375.380 3.717 20 10 GHCDHL Cn1ccnc1[C@@H]1N(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1(C)C ZINC000840108716 1027203601 /nfs/dbraw/zinc/20/36/01/1027203601.db2.gz RCIRMGFMHSJEHP-NRFANRHFSA-N -2 3 391.471 3.645 20 10 GHCDHL Cc1ccccc1[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787712 1033714334 /nfs/dbraw/zinc/71/43/34/1033714334.db2.gz VREZJFHKCIFFBS-GFCCVEGCSA-N -2 3 396.395 3.894 20 10 GHCDHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808115934 886027221 /nfs/dbraw/zinc/02/72/21/886027221.db2.gz ZWDONQGGQJABDK-UHFFFAOYSA-N -3 3 387.816 3.807 20 10 GHCDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCO[C@H](c3ccsc3)C2)c1[O-] ZINC000122079065 889363735 /nfs/dbraw/zinc/36/37/35/889363735.db2.gz LZDFKUZJCHYNGC-FQEVSTJZSA-N -2 3 395.480 3.964 20 10 GHCDHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813684165 891875176 /nfs/dbraw/zinc/87/51/76/891875176.db2.gz LLBFGRHEYATEIZ-UHFFFAOYSA-N -2 3 384.263 3.731 20 10 GHCDHL COc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(Cl)cc1O ZINC001599405674 997293498 /nfs/dbraw/zinc/29/34/98/997293498.db2.gz GQLZDWFVCYBBMP-UHFFFAOYSA-N -2 3 386.231 3.500 20 10 GHCDHL COc1ccc([C@@H](C)Oc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)cn1 ZINC001234749758 1040278317 /nfs/dbraw/zinc/27/83/17/1040278317.db2.gz WOKZATFODJSMSJ-SNVBAGLBSA-N -2 3 395.367 3.607 20 10 GHCDHL CC(C)c1ccccc1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736522250 600144117 /nfs/dbraw/zinc/14/41/17/600144117.db2.gz AFOYYLKYQJGKMD-UHFFFAOYSA-N -2 3 390.867 3.694 20 10 GHCDHL O=C([O-])CN(Cc1csc(-c2ccoc2)n1)Cc1cc(Cl)ccc1[O-] ZINC000739799387 600145814 /nfs/dbraw/zinc/14/58/14/600145814.db2.gz DEZRLBRGFFREFT-UHFFFAOYSA-N -2 3 378.837 3.849 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000755986970 604990937 /nfs/dbraw/zinc/99/09/37/604990937.db2.gz VYHAHFZFIJLAQN-UHFFFAOYSA-N -2 3 383.853 3.976 20 10 GHCDHL NC(=O)c1cc([O-])cc([N-]S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC001197186175 873620709 /nfs/dbraw/zinc/62/07/09/873620709.db2.gz JCEHOWWQZRMBPX-QURGRASLSA-N -2 3 396.428 3.707 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000776748667 879910797 /nfs/dbraw/zinc/91/07/97/879910797.db2.gz BDGWKKWGXBTYLX-UHFFFAOYSA-N -2 3 381.759 3.788 20 10 GHCDHL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000811702355 889907558 /nfs/dbraw/zinc/90/75/58/889907558.db2.gz NHZRFSQPIFYZHI-UHFFFAOYSA-N -2 3 380.224 3.785 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(Br)c(F)c1 ZINC000225614177 856694449 /nfs/dbraw/zinc/69/44/49/856694449.db2.gz YHGIQEFRZRGBLF-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)ccc1O ZINC001196088740 872872905 /nfs/dbraw/zinc/87/29/05/872872905.db2.gz DSMZTWCELOUESR-UHFFFAOYSA-N -2 3 383.425 3.867 20 10 GHCDHL O=c1ccc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])c(Cl)c3)ccc2o1 ZINC000120438420 888239822 /nfs/dbraw/zinc/23/98/22/888239822.db2.gz VXKHFBNDXMDPRR-UHFFFAOYSA-N -2 3 386.212 3.606 20 10 GHCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000775286037 916802109 /nfs/dbraw/zinc/80/21/09/916802109.db2.gz KVYRAIKANBKDCB-UHFFFAOYSA-N -2 3 395.436 3.627 20 10 GHCDHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c(C)c(C)c1O ZINC000775293734 916841631 /nfs/dbraw/zinc/84/16/31/916841631.db2.gz CQSSSKUDULPEIE-UHFFFAOYSA-N -2 3 383.853 3.778 20 10 GHCDHL C[C@H](Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1)C(F)(F)F ZINC001227648248 1032501872 /nfs/dbraw/zinc/50/18/72/1032501872.db2.gz VSFUKKIEJWYZTO-ZETCQYMHSA-N -2 3 398.289 3.612 20 10 GHCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(O[C@@H]3C=CCCC3)c12 ZINC001229444301 1033483799 /nfs/dbraw/zinc/48/37/99/1033483799.db2.gz WSLLGBIDCLAWJP-CYBMUJFWSA-N -2 3 382.368 3.770 20 10 GHCDHL CCC[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786402 1033712397 /nfs/dbraw/zinc/71/23/97/1033712397.db2.gz NIPFUMDZZQKZNO-MRXNPFEDSA-N -2 3 376.405 3.649 20 10 GHCDHL Cc1ccccc1[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787716 1033714530 /nfs/dbraw/zinc/71/45/30/1033714530.db2.gz VREZJFHKCIFFBS-LBPRGKRZSA-N -2 3 396.395 3.894 20 10 GHCDHL C[C@@H]1CC[C@@H](C)[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229787824 1033714744 /nfs/dbraw/zinc/71/47/44/1033714744.db2.gz XOYNQFVTQCZZNI-AGKHESDQSA-N -2 3 388.416 3.649 20 10 GHCDHL CC1(C)CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229792829 1033720258 /nfs/dbraw/zinc/72/02/58/1033720258.db2.gz UENASZOGKSYHLM-LBPRGKRZSA-N -2 3 388.416 3.793 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000763290712 1068064737 /nfs/dbraw/zinc/06/47/37/1068064737.db2.gz LFNDTMWJLBFVKX-UHFFFAOYSA-N -2 3 381.425 3.771 20 10 GHCDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)c1C ZINC000811703815 889879969 /nfs/dbraw/zinc/87/99/69/889879969.db2.gz HJPRPXXEIJAUMT-UHFFFAOYSA-N -2 3 394.449 3.643 20 10 GHCDHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1)C(F)(F)F ZINC001227461122 1032428851 /nfs/dbraw/zinc/42/88/51/1032428851.db2.gz NCBSDHBMMLAORZ-SSDOTTSWSA-N -2 3 398.289 3.612 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CCCC(=O)C3(C)C)c1C2=O ZINC001227995618 1032730555 /nfs/dbraw/zinc/73/05/55/1032730555.db2.gz YMULMIDMUAHDRE-SFHVURJKSA-N -2 3 394.423 3.708 20 10 GHCDHL C[C@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1cccs1 ZINC001229787239 1033715150 /nfs/dbraw/zinc/71/51/50/1033715150.db2.gz SWSLALBGNKWBBW-VIFPVBQESA-N -2 3 388.397 3.647 20 10 GHCDHL Cc1oc2c(ccc([O-])c2CN(CC(=O)[O-])C2CC2)c(=O)c1-c1ccccc1 ZINC000738387356 601377654 /nfs/dbraw/zinc/37/76/54/601377654.db2.gz DSRYIJBUBKJYAG-UHFFFAOYSA-N -2 3 379.412 3.523 20 10 GHCDHL O=C([O-])c1ccc(NC(=S)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001197127246 873615679 /nfs/dbraw/zinc/61/56/79/873615679.db2.gz OKOMHQUFFKNWPK-UHFFFAOYSA-N -2 3 387.848 3.779 20 10 GHCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201798930 875865618 /nfs/dbraw/zinc/86/56/18/875865618.db2.gz DLFZOPCWYAUHTJ-UHFFFAOYSA-N -2 3 395.452 3.661 20 10 GHCDHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000776748824 879923225 /nfs/dbraw/zinc/92/32/25/879923225.db2.gz KAWTYXIVBIGKCJ-UHFFFAOYSA-N -3 3 376.217 3.506 20 10 GHCDHL Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000322765603 886160580 /nfs/dbraw/zinc/16/05/80/886160580.db2.gz AOVZQQRNICAKPH-UHFFFAOYSA-N -2 3 377.205 3.716 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)c3ncccc3F)c1C2=O ZINC001227994985 1032729739 /nfs/dbraw/zinc/72/97/39/1032729739.db2.gz QESPFPRJPCTKIS-LLVKDONJSA-N -2 3 393.370 3.856 20 10 GHCDHL C[C@H]1CCC[C@H](C)C1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790894 1033717421 /nfs/dbraw/zinc/71/74/21/1033717421.db2.gz KIEFAMUHADHYFZ-QWRGUYRKSA-N -2 3 388.416 3.649 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@@H]3CCOc4ccccc43)c12 ZINC001234748122 1040275359 /nfs/dbraw/zinc/27/53/59/1040275359.db2.gz FTHXBMTVUGHDNJ-QGZVFWFLSA-N -2 3 392.363 3.966 20 10 GHCDHL CCOc1ccc(C(C)=O)cc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737195708 600314175 /nfs/dbraw/zinc/31/41/75/600314175.db2.gz XEJAKKGIYDOBEU-UHFFFAOYSA-N -2 3 391.851 3.734 20 10 GHCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1c(F)c(F)c(F)c(F)c1F ZINC000739793165 600316069 /nfs/dbraw/zinc/31/60/69/600316069.db2.gz BFRYEFCWJQYRIM-UHFFFAOYSA-N -2 3 395.711 3.828 20 10 GHCDHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000320772552 874900757 /nfs/dbraw/zinc/90/07/57/874900757.db2.gz QVPQQILBQKIRNM-UHFFFAOYSA-N -2 3 377.205 3.716 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1Cl)c1ccc2nsnc2c1 ZINC001186263054 914398692 /nfs/dbraw/zinc/39/86/92/914398692.db2.gz JRMCJRNASOXGCW-UHFFFAOYSA-N -2 3 376.246 3.505 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(F)c(Br)c(F)c1 ZINC001189036842 916357473 /nfs/dbraw/zinc/35/74/73/916357473.db2.gz NVUCVLVWGBGISB-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL O=c1c(OC(C2CC2)C2CC2)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12 ZINC001227459905 1032428684 /nfs/dbraw/zinc/42/86/84/1032428684.db2.gz AUDNARAQBGBSDU-UHFFFAOYSA-N -2 3 396.395 3.850 20 10 GHCDHL C[C@H]1CCC[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1 ZINC001227460693 1032428724 /nfs/dbraw/zinc/42/87/24/1032428724.db2.gz JFYVLNDHPJUOJX-MGPLVRAMSA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@H](Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1)C1=CC=C[CH]1 ZINC001227649023 1032502427 /nfs/dbraw/zinc/50/24/27/1032502427.db2.gz CPRBNVUYDGAHIX-NSHDSACASA-N -3 3 393.371 3.750 20 10 GHCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(OC(C3CC3)C3CC3)c12 ZINC001229442807 1033483944 /nfs/dbraw/zinc/48/39/44/1033483944.db2.gz KZMFEOXQPOZJGA-UHFFFAOYSA-N -2 3 396.395 3.850 20 10 GHCDHL CCCCC[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785710 1033711366 /nfs/dbraw/zinc/71/13/66/1033711366.db2.gz JDQXSHKHNSOESH-LLVKDONJSA-N -2 3 376.405 3.793 20 10 GHCDHL CC(C)C[C@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786671 1033712347 /nfs/dbraw/zinc/71/23/47/1033712347.db2.gz PCZKLBWHDLOQNO-KRWDZBQOSA-N -2 3 390.432 3.895 20 10 GHCDHL C[C@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001229786094 1033712661 /nfs/dbraw/zinc/71/26/61/1033712661.db2.gz LYFXAOUUNJVWPB-NSHDSACASA-N -2 3 382.368 3.586 20 10 GHCDHL C[C@H]1CCC[C@H]1Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1 ZINC001234738212 1040264303 /nfs/dbraw/zinc/26/43/03/1040264303.db2.gz YCUILPMLLYKYNO-IINYFYTJSA-N -2 3 384.384 3.850 20 10 GHCDHL O=C([O-])C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cnn(-c2ccccc2)c1 ZINC000756377982 1051060396 /nfs/dbraw/zinc/06/03/96/1051060396.db2.gz CJYYASYZLGKERX-MRXNPFEDSA-N -2 3 389.814 3.676 20 10 GHCDHL Cc1nc(C=Cc2ccc(N(C)C)cc2C(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000282323760 857538696 /nfs/dbraw/zinc/53/86/96/857538696.db2.gz YQQWPIFVZGLVST-VMPITWQZSA-N -2 3 395.381 3.763 20 10 GHCDHL Cc1cc(Br)c([O-])c(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001594269907 959789415 /nfs/dbraw/zinc/78/94/15/959789415.db2.gz DLNGTNQVFCCPTE-HNNXBMFYSA-N -2 3 376.250 3.647 20 10 GHCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1OC1CCCCC1 ZINC001227647809 1032502012 /nfs/dbraw/zinc/50/20/12/1032502012.db2.gz GYTXWWRQOIGNCU-UHFFFAOYSA-N -2 3 384.384 3.994 20 10 GHCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1O[C@H]1CCc2ccccc21 ZINC001229786214 1033712911 /nfs/dbraw/zinc/71/29/11/1033712911.db2.gz MZUDNZYFAUXDEK-SFHVURJKSA-N -2 3 394.379 3.512 20 10 GHCDHL C[C@@H]1CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)[C@@H]1C ZINC001229792194 1033717270 /nfs/dbraw/zinc/71/72/70/1033717270.db2.gz PUQVEJYWYDFPIQ-CZIZLABSSA-N -2 3 388.416 3.649 20 10 GHCDHL O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc12 ZINC001194372357 871644354 /nfs/dbraw/zinc/64/43/54/871644354.db2.gz UHXABNIEDWSNHX-UHFFFAOYSA-N -2 3 385.228 3.754 20 10 GHCDHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000776750838 879963110 /nfs/dbraw/zinc/96/31/10/879963110.db2.gz LVURBIJPCLCLBO-UHFFFAOYSA-N -2 3 382.869 3.831 20 10 GHCDHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc(Cl)c2O1 ZINC000808115815 886027071 /nfs/dbraw/zinc/02/70/71/886027071.db2.gz UBVVKRJAEPPWEH-SSDOTTSWSA-N -2 3 392.235 3.962 20 10 GHCDHL O=c1c(O[C@@H]2C=CCCC2)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12 ZINC001227461828 1032430081 /nfs/dbraw/zinc/43/00/81/1032430081.db2.gz YLUSUYQYMNAJQQ-CYBMUJFWSA-N -2 3 382.368 3.770 20 10 GHCDHL C[C@H]1CC(Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@H](C)C1 ZINC001229786599 1033713474 /nfs/dbraw/zinc/71/34/74/1033713474.db2.gz OQWZFRMIBZUTFI-GHMZBOCLSA-N -2 3 388.416 3.649 20 10 GHCDHL CCC1CCC(Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001229791282 1033717949 /nfs/dbraw/zinc/71/79/49/1033717949.db2.gz MMEAGESZRYRCLI-UHFFFAOYSA-N -2 3 388.416 3.793 20 10 GHCDHL Cc1cc(Br)c([O-])c(CN(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC001320287695 1055739093 /nfs/dbraw/zinc/73/90/93/1055739093.db2.gz FAEHBWPXPDDZGW-UHFFFAOYSA-N -2 3 394.294 3.805 20 10 GHCDHL O=C([O-])CN(Cc1cc(-c2cccs2)on1)Cc1cc(Cl)ccc1[O-] ZINC000739793707 600315344 /nfs/dbraw/zinc/31/53/44/600315344.db2.gz NNSDSJYTLVCAQY-UHFFFAOYSA-N -2 3 378.837 3.849 20 10 GHCDHL Cc1oc2c(ccc([O-])c2CN2CCC[C@@H](C(=O)[O-])C2)c(=O)c1-c1ccccc1 ZINC000738977441 600420247 /nfs/dbraw/zinc/42/02/47/600420247.db2.gz YHKWEDSCRZXRAG-MRXNPFEDSA-N -2 3 393.439 3.771 20 10 GHCDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCOC[C@H]2c2ccccc2)c1[O-] ZINC000743402038 868165330 /nfs/dbraw/zinc/16/53/30/868165330.db2.gz HCTMPWYRPLOFMU-NRFANRHFSA-N -2 3 389.451 3.902 20 10 GHCDHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc2)co1 ZINC000808115432 886026978 /nfs/dbraw/zinc/02/69/78/886026978.db2.gz CUCWYKROQJVZBW-UHFFFAOYSA-N -2 3 382.800 3.949 20 10 GHCDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCO[C@@H](c3ccsc3)C2)c1[O-] ZINC000122079295 889363499 /nfs/dbraw/zinc/36/34/99/889363499.db2.gz LZDFKUZJCHYNGC-HXUWFJFHSA-N -2 3 395.480 3.964 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1ccc(Br)cc1Cl ZINC001184804709 913416860 /nfs/dbraw/zinc/41/68/60/913416860.db2.gz ZAMLJVZIVWWVQC-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL CC1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2)CC1 ZINC000821177566 897781668 /nfs/dbraw/zinc/78/16/68/897781668.db2.gz GLAUFWBWXKNIKN-UHFFFAOYSA-N -2 3 382.432 3.708 20 10 GHCDHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)cc1 ZINC001191451334 917983550 /nfs/dbraw/zinc/98/35/50/917983550.db2.gz UNXMWRLFAMLITF-UHFFFAOYSA-N -2 3 390.244 3.677 20 10 GHCDHL O=c1c(O[C@@H]2C[C@H]3CC[C@@H]2C3)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12 ZINC001227461607 1032429753 /nfs/dbraw/zinc/42/97/53/1032429753.db2.gz URQGUBSJFVWIJF-WVQJBOLRSA-N -2 3 396.395 3.850 20 10 GHCDHL CC[C@H]1CCCC[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785121 1033711684 /nfs/dbraw/zinc/71/16/84/1033711684.db2.gz DVHWIXASIUKQTH-GTNSWQLSSA-N -2 3 388.416 3.793 20 10 GHCDHL C[C@@H]1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@H]1C ZINC001229786978 1033713323 /nfs/dbraw/zinc/71/33/23/1033713323.db2.gz PRAADFCHVMTEIW-NQBHXWOUSA-N -2 3 388.416 3.649 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccccc1C(F)(F)F ZINC001256628905 1043582277 /nfs/dbraw/zinc/58/22/77/1043582277.db2.gz KJWUNFPSYFOBRJ-UHFFFAOYSA-N -2 3 396.184 3.974 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc2ncsc2c1 ZINC001259396087 1045120606 /nfs/dbraw/zinc/12/06/06/1045120606.db2.gz NHFASRKYRHJVGK-UHFFFAOYSA-N -2 3 385.264 3.565 20 10 GHCDHL COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(Cl)cc(F)c1[O-] ZINC000775686954 872892684 /nfs/dbraw/zinc/89/26/84/872892684.db2.gz QTESYACRMGQFJD-UHFFFAOYSA-N -2 3 388.222 3.719 20 10 GHCDHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000322766911 886160404 /nfs/dbraw/zinc/16/04/04/886160404.db2.gz DPGNUSNUASZJKU-UHFFFAOYSA-N -3 3 376.217 3.506 20 10 GHCDHL C[C@H]1CCC[C@@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1 ZINC001227460695 1032429000 /nfs/dbraw/zinc/42/90/00/1032429000.db2.gz JFYVLNDHPJUOJX-QFYYESIMSA-N -2 3 384.384 3.850 20 10 GHCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1O[C@@H]1C=CCCC1 ZINC001227649268 1032502433 /nfs/dbraw/zinc/50/24/33/1032502433.db2.gz GZIOOQPCIOZXMA-CYBMUJFWSA-N -2 3 382.368 3.770 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)c3nccs3)c1C2=O ZINC001227994050 1032729796 /nfs/dbraw/zinc/72/97/96/1032729796.db2.gz JLMWXYMMGNOUDJ-JTQLQIEISA-N -2 3 381.409 3.778 20 10 GHCDHL CC(C)=CCC[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790048 1033715652 /nfs/dbraw/zinc/71/56/52/1033715652.db2.gz GTSWERBCDMQDMV-LBPRGKRZSA-N -2 3 388.416 3.959 20 10 GHCDHL C[C@H](Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1)C1CCC1 ZINC001234737629 1040264342 /nfs/dbraw/zinc/26/43/42/1040264342.db2.gz NRGKYKHLYQBZNC-JTQLQIEISA-N -2 3 384.384 3.850 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cccc(OC(F)F)c1 ZINC001259445384 1045159592 /nfs/dbraw/zinc/15/95/92/1045159592.db2.gz ZMMSEAUDWJGODC-UHFFFAOYSA-N -2 3 394.193 3.557 20 10 GHCDHL Cc1ccc(Cl)cc1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738605628 600144166 /nfs/dbraw/zinc/14/41/66/600144166.db2.gz XYIBWCYHNBEPFA-UHFFFAOYSA-N -2 3 397.258 3.533 20 10 GHCDHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000830185337 935910839 /nfs/dbraw/zinc/91/08/39/935910839.db2.gz ZCKDHCWEVQWFIP-UHFFFAOYSA-N -3 3 391.417 3.528 20 10 GHCDHL CC[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001229785291 1033711229 /nfs/dbraw/zinc/71/12/29/1033711229.db2.gz GQIYGXCDNDILHA-GOSISDBHSA-N -2 3 396.395 3.976 20 10 GHCDHL CC1(C)CC(=O)CC[C@H]1Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748627 1040274925 /nfs/dbraw/zinc/27/49/25/1040274925.db2.gz LXDNQQIBFYALMC-GOSISDBHSA-N -2 3 384.384 3.590 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cc(Br)c(Cl)cc1F ZINC001195436265 872419853 /nfs/dbraw/zinc/41/98/53/872419853.db2.gz SRWGHCKYOYSELS-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc(-c2cnco2)cc1 ZINC001185222307 913738037 /nfs/dbraw/zinc/73/80/37/913738037.db2.gz QUCGEWRKUSSUBE-UHFFFAOYSA-N -2 3 395.234 3.611 20 10 GHCDHL C[C@@H]1CC[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)c(O)c2)C1 ZINC001227460669 1032428598 /nfs/dbraw/zinc/42/85/98/1032428598.db2.gz IXOGASCWOBSZPO-MFKMUULPSA-N -2 3 384.384 3.850 20 10 GHCDHL O=c1c(O[C@H]2C=CCCC2)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12 ZINC001227461829 1032429776 /nfs/dbraw/zinc/42/97/76/1032429776.db2.gz YLUSUYQYMNAJQQ-ZDUSSCGKSA-N -2 3 382.368 3.770 20 10 GHCDHL C[C@@H](Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1)C1CCC1 ZINC001227647822 1032502127 /nfs/dbraw/zinc/50/21/27/1032502127.db2.gz HJNUJERISQUXOB-SNVBAGLBSA-N -2 3 384.384 3.850 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832898956 601492850 /nfs/dbraw/zinc/49/28/50/601492850.db2.gz MORMJVDIIPPXHO-TWGQIWQCSA-N -2 3 375.446 3.723 20 10 GHCDHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000769866056 874309304 /nfs/dbraw/zinc/30/93/04/874309304.db2.gz SCDLOUSTQOPXHH-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)ccc1[O-] ZINC000775286450 916853632 /nfs/dbraw/zinc/85/36/32/916853632.db2.gz SAQFXRLUICEQDO-UHFFFAOYSA-N -2 3 382.397 3.672 20 10 GHCDHL O=c1c(O[C@H]2C[C@H]3C=C[C@@H]2C3)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234740179 1040264766 /nfs/dbraw/zinc/26/47/66/1040264766.db2.gz UHUOCUCYUDNXJF-NVBFEUDRSA-N -2 3 394.379 3.626 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@@H](c3cccnc3)C3CC3)c12 ZINC001234750215 1040277232 /nfs/dbraw/zinc/27/72/32/1040277232.db2.gz APKJICKZDYDQSI-JOCHJYFZSA-N -2 3 391.379 3.988 20 10 GHCDHL O=C(c1ccc([O-])cc1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000124032500 840662303 /nfs/dbraw/zinc/66/23/03/840662303.db2.gz BJRPABSMPMQVLZ-UHFFFAOYSA-N -2 3 390.823 3.754 20 10 GHCDHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1[N+](=O)[O-] ZINC000808115205 886028613 /nfs/dbraw/zinc/02/86/13/886028613.db2.gz SMPSWWQQMOVSTE-UHFFFAOYSA-N -2 3 395.195 3.856 20 10 GHCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1OC(C1CC1)C1CC1 ZINC001227649198 1032501968 /nfs/dbraw/zinc/50/19/68/1032501968.db2.gz GHLIXBOARLTPIV-UHFFFAOYSA-N -2 3 396.395 3.850 20 10 GHCDHL COC1=CC[C@H](Oc2cc([O-])cc3c2C(=O)c2c([O-])cc(C)cc2C3=O)CC1 ZINC001227993599 1032729833 /nfs/dbraw/zinc/72/98/33/1032729833.db2.gz CXERVYZIASZCPE-AWEZNQCLSA-N -2 3 380.396 3.643 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000842584526 1029394450 /nfs/dbraw/zinc/39/44/50/1029394450.db2.gz GFECMMRLFLLRRW-UHFFFAOYSA-N -2 3 381.425 3.771 20 10 GHCDHL CCCC/C=C/[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229789102 1033716247 /nfs/dbraw/zinc/71/62/47/1033716247.db2.gz DCFBNMHSBDACKU-SYTKJHMZSA-N -2 3 388.416 3.959 20 10 GHCDHL C[C@@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1cccnc1F ZINC001234753789 1040282770 /nfs/dbraw/zinc/28/27/70/1040282770.db2.gz RIKBYHOPWYACFF-SECBINFHSA-N -2 3 383.331 3.737 20 10 GHCDHL Cc1cc(Cl)ccc1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738399242 600144061 /nfs/dbraw/zinc/14/40/61/600144061.db2.gz GEFNJDMIMLWPDK-UHFFFAOYSA-N -2 3 397.258 3.533 20 10 GHCDHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000780396606 885925968 /nfs/dbraw/zinc/92/59/68/885925968.db2.gz CFHZLAJLHYHZOU-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL COCc1cc(NCc2cc(C)cc(Br)c2[O-])cc(C(=O)[O-])c1 ZINC001599289807 997044374 /nfs/dbraw/zinc/04/43/74/997044374.db2.gz NVCFXPINKIBTDM-UHFFFAOYSA-N -2 3 380.238 3.920 20 10 GHCDHL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)c1 ZINC001254425032 1040223776 /nfs/dbraw/zinc/22/37/76/1040223776.db2.gz IWYXZDXMRHHKEF-UHFFFAOYSA-N -2 3 378.233 3.517 20 10 GHCDHL C[C@@H]1CC[C@H](Oc2c(=O)c3c([O-])c(O)c([O-])cc3oc2-c2ccc(O)cc2)C1 ZINC001234740271 1040266422 /nfs/dbraw/zinc/26/64/22/1040266422.db2.gz VUUUGMSSDZLIKM-MFKMUULPSA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1cccnc1F ZINC001234753794 1040282154 /nfs/dbraw/zinc/28/21/54/1040282154.db2.gz RIKBYHOPWYACFF-VIFPVBQESA-N -2 3 383.331 3.737 20 10 GHCDHL CC(C)CCc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc([O-])c2C3=O)o1 ZINC001258277605 1044488567 /nfs/dbraw/zinc/48/85/67/1044488567.db2.gz NJOYFDRNPBEUFB-UHFFFAOYSA-N -2 3 378.384 3.512 20 10 GHCDHL O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc([O-])c(F)c3)SC2=S)c1 ZINC000755405435 1050482505 /nfs/dbraw/zinc/48/25/05/1050482505.db2.gz ZVCVMZJGLZOKKS-VGOFMYFVSA-N -2 3 375.402 3.635 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000755983566 1050906559 /nfs/dbraw/zinc/90/65/59/1050906559.db2.gz GJDIKBHDTGPTPO-UHFFFAOYSA-N -2 3 377.462 3.940 20 10 GHCDHL O=C([O-])[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1Br ZINC000756350908 838273512 /nfs/dbraw/zinc/27/35/12/838273512.db2.gz QMVFSOMDQSPFJR-AWEZNQCLSA-N -2 3 388.620 3.863 20 10 GHCDHL COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F)CC2 ZINC000808114624 886024328 /nfs/dbraw/zinc/02/43/28/886024328.db2.gz CURZPOFCLJXGGB-UHFFFAOYSA-N -2 3 383.828 3.922 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cccc(Br)c1 ZINC000808114454 886025921 /nfs/dbraw/zinc/02/59/21/886025921.db2.gz ZBRKHAOSZHGPSY-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(OCCOC3CCCC3)c1C2=O ZINC001227993884 1032730166 /nfs/dbraw/zinc/73/01/66/1032730166.db2.gz HEOJJKRIQSIHEP-UHFFFAOYSA-N -2 3 382.412 3.520 20 10 GHCDHL C[C@@H]1CC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1C ZINC001229786977 1033712858 /nfs/dbraw/zinc/71/28/58/1033712858.db2.gz PRAADFCHVMTEIW-MDZLAQPJSA-N -2 3 388.416 3.649 20 10 GHCDHL CC/C=C(\C)[C@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229789122 1033716645 /nfs/dbraw/zinc/71/66/45/1033716645.db2.gz DLDINYHPAHXZCU-CEUCYRDJSA-N -2 3 388.416 3.959 20 10 GHCDHL CC1(C)CC(=O)CC[C@@H]1Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748629 1040275010 /nfs/dbraw/zinc/27/50/10/1040275010.db2.gz LXDNQQIBFYALMC-SFHVURJKSA-N -2 3 384.384 3.590 20 10 GHCDHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001260461580 1045502593 /nfs/dbraw/zinc/50/25/93/1045502593.db2.gz ZNMOSCXTDQPZSP-UHFFFAOYSA-N -2 3 378.194 3.542 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc2c(c1)CCCC2 ZINC001260981910 1045796331 /nfs/dbraw/zinc/79/63/31/1045796331.db2.gz KKANNUSXXTYZHA-UHFFFAOYSA-N -2 3 382.279 3.834 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000753779055 1049875701 /nfs/dbraw/zinc/87/57/01/1049875701.db2.gz KQFVGIIBCDXRFT-UHFFFAOYSA-N -2 3 377.462 3.940 20 10 GHCDHL O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1cc(F)c(F)c(F)c1 ZINC000805135224 883616597 /nfs/dbraw/zinc/61/65/97/883616597.db2.gz QTCOZYOMXFKDEK-UHFFFAOYSA-N -2 3 386.178 3.595 20 10 GHCDHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1)C1CCC1 ZINC001227460349 1032428462 /nfs/dbraw/zinc/42/84/62/1032428462.db2.gz FVSJVGKUDGLHHI-JTQLQIEISA-N -2 3 384.384 3.850 20 10 GHCDHL CC[C@@H]1CCCC[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785119 1033711636 /nfs/dbraw/zinc/71/16/36/1033711636.db2.gz DVHWIXASIUKQTH-DIFFPNOSSA-N -2 3 388.416 3.793 20 10 GHCDHL CC1(C)CCC(Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001229784932 1033711908 /nfs/dbraw/zinc/71/19/08/1033711908.db2.gz COILCWUALWFPHN-UHFFFAOYSA-N -2 3 388.416 3.793 20 10 GHCDHL Cc1ccc(-c2nnc(-c3cc([O-])c4c(c3)C(=O)c3cccc([O-])c3C4=O)o2)cc1 ZINC001252625500 1039051721 /nfs/dbraw/zinc/05/17/21/1039051721.db2.gz XAWGXBJMPPZWKZ-UHFFFAOYSA-N -2 3 398.374 3.899 20 10 GHCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000833249576 601115820 /nfs/dbraw/zinc/11/58/20/601115820.db2.gz ZRFXGMNHLLXXSF-UHFFFAOYSA-N -2 3 385.203 3.694 20 10 GHCDHL Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc(C(=O)[O-])c1C ZINC000760364501 884020122 /nfs/dbraw/zinc/02/01/22/884020122.db2.gz BWBRHVBCRGKSNV-UHFFFAOYSA-N -2 3 377.462 3.940 20 10 GHCDHL CCc1cnc(CN(C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])s1 ZINC000747472735 886194504 /nfs/dbraw/zinc/19/45/04/886194504.db2.gz NIJSQIVQBNMDSW-UHFFFAOYSA-N -2 3 382.485 3.980 20 10 GHCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(Br)c1 ZINC000794591867 887573190 /nfs/dbraw/zinc/57/31/90/887573190.db2.gz FLBRLWIWLQMZSL-UHFFFAOYSA-N -2 3 392.658 3.618 20 10 GHCDHL C[C@@H]1CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)[C@H]1C ZINC001229792195 1033717851 /nfs/dbraw/zinc/71/78/51/1033717851.db2.gz PUQVEJYWYDFPIQ-RLFDGXBXSA-N -2 3 388.416 3.649 20 10 GHCDHL C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234753123 1040282680 /nfs/dbraw/zinc/28/26/80/1040282680.db2.gz LZIMFJJGVDZECV-QGHHPUGFSA-N -2 3 391.379 3.565 20 10 GHCDHL Cc1oc2c(ccc([O-])c2CN(C)CC(=O)[O-])c(=O)c1-c1ccccc1Cl ZINC000740274702 597055715 /nfs/dbraw/zinc/05/57/15/597055715.db2.gz QQORJUQNFHILQY-UHFFFAOYSA-N -2 3 387.819 3.644 20 10 GHCDHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1C(=O)[O-] ZINC000325928317 840254500 /nfs/dbraw/zinc/25/45/00/840254500.db2.gz UNEKUNCBZZKQCR-UHFFFAOYSA-N -3 3 390.244 3.815 20 10 GHCDHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c(C)c(C)c1O ZINC000794873733 888624612 /nfs/dbraw/zinc/62/46/12/888624612.db2.gz AZGYZSNXZLELAJ-UHFFFAOYSA-N -2 3 383.853 3.778 20 10 GHCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1O[C@@H]1CCc2ccccc21 ZINC001229786212 1033713512 /nfs/dbraw/zinc/71/35/12/1033713512.db2.gz MZUDNZYFAUXDEK-GOSISDBHSA-N -2 3 394.379 3.512 20 10 GHCDHL C[C@@H](Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1)C1=CC=C[CH]1 ZINC001234740193 1040265800 /nfs/dbraw/zinc/26/58/00/1040265800.db2.gz UNHUTKNWPNNXCQ-LLVKDONJSA-N -3 3 393.371 3.750 20 10 GHCDHL C[C@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ncccc1F ZINC001234752223 1040279978 /nfs/dbraw/zinc/27/99/78/1040279978.db2.gz FXEFYVOQCYDDPY-VIFPVBQESA-N -2 3 383.331 3.737 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cccc2cnccc21 ZINC001259156672 1044982644 /nfs/dbraw/zinc/98/26/44/1044982644.db2.gz GBEPULIOAVUKBU-UHFFFAOYSA-N -2 3 379.235 3.504 20 10 GHCDHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001260462761 1045504026 /nfs/dbraw/zinc/50/40/26/1045504026.db2.gz HNPKVUXYSREJFN-UHFFFAOYSA-N -2 3 378.194 3.542 20 10 GHCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(F)(F)F ZINC000776748777 879923265 /nfs/dbraw/zinc/92/32/65/879923265.db2.gz GOXLIBRLKXGORK-UHFFFAOYSA-N -3 3 395.742 3.563 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000268030863 909745158 /nfs/dbraw/zinc/74/51/58/909745158.db2.gz ZFMNBJKEGIMVSO-UHFFFAOYSA-N -2 3 377.462 3.642 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)c3cccnc3F)c1C2=O ZINC001227993410 1032728404 /nfs/dbraw/zinc/72/84/04/1032728404.db2.gz BYTOTIIJTSCPSU-NSHDSACASA-N -2 3 393.370 3.856 20 10 GHCDHL C[C@@H]1CCC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)[C@@H]1C ZINC001229792193 1033717153 /nfs/dbraw/zinc/71/71/53/1033717153.db2.gz PUQVEJYWYDFPIQ-AGKHESDQSA-N -2 3 388.416 3.649 20 10 GHCDHL C[C@H](COc1ccccc1)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234746553 1040273070 /nfs/dbraw/zinc/27/30/70/1040273070.db2.gz AJELWRFLDUEVMK-GFCCVEGCSA-N -2 3 394.379 3.909 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(F)cc1Br ZINC000182495145 872434303 /nfs/dbraw/zinc/43/43/03/872434303.db2.gz DPQJPOKUKWVOLB-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)cc1[O-] ZINC001197186525 873620653 /nfs/dbraw/zinc/62/06/53/873620653.db2.gz QZAYNYYNPGNUTD-QURGRASLSA-N -2 3 396.428 3.707 20 10 GHCDHL COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1Cl ZINC001198701539 874564157 /nfs/dbraw/zinc/56/41/57/874564157.db2.gz DKJDKSHCGABLGC-UHFFFAOYSA-N -2 3 383.640 3.557 20 10 GHCDHL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1OC ZINC000790345680 879615155 /nfs/dbraw/zinc/61/51/55/879615155.db2.gz ASZMWBVKXWTPOA-UHFFFAOYSA-N -2 3 378.233 3.517 20 10 GHCDHL O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1cc(Cl)ccc1F ZINC001212054866 891450340 /nfs/dbraw/zinc/45/03/40/891450340.db2.gz RMMYPRSJXLTPEQ-UHFFFAOYSA-N -2 3 384.643 3.970 20 10 GHCDHL O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(F)c(F)c([O-])c1F ZINC001186788638 914808581 /nfs/dbraw/zinc/80/85/81/914808581.db2.gz URDCNPZOMOROEX-UHFFFAOYSA-N -2 3 382.725 3.647 20 10 GHCDHL C[C@@H](Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1)C1=CC=C[CH]1 ZINC001227649019 1032501495 /nfs/dbraw/zinc/50/14/95/1032501495.db2.gz CPRBNVUYDGAHIX-LLVKDONJSA-N -3 3 393.371 3.750 20 10 GHCDHL O=C([O-])CN(Cc1csc(-c2ccccn2)n1)Cc1cc(Cl)ccc1[O-] ZINC000833249433 601006871 /nfs/dbraw/zinc/00/68/71/601006871.db2.gz KXODSHZJIIFBRT-UHFFFAOYSA-N -2 3 389.864 3.651 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(F)cc(Br)c1 ZINC001193795628 871309919 /nfs/dbraw/zinc/30/99/19/871309919.db2.gz LHFAEOCWIMTQLO-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL O=C([O-])c1nnc(NCc2cc(Cl)c3cccnc3c2[O-])cc1C(F)(F)F ZINC001168522966 891404762 /nfs/dbraw/zinc/40/47/62/891404762.db2.gz XHZRHWASKRGPCQ-UHFFFAOYSA-N -2 3 398.728 3.713 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)c3ccccn3)c1C2=O ZINC001227994296 1032729990 /nfs/dbraw/zinc/72/99/90/1032729990.db2.gz MJGKAYHDMUEWCR-LBPRGKRZSA-N -2 3 375.380 3.717 20 10 GHCDHL O=C(Nc1ccc2cc[nH]c2c1)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218945430 1031170613 /nfs/dbraw/zinc/17/06/13/1031170613.db2.gz JPRRBAYOLAQGIY-UHFFFAOYSA-N -2 3 398.374 3.607 20 10 GHCDHL CC[C@@H]1CCCC[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785122 1033711801 /nfs/dbraw/zinc/71/18/01/1033711801.db2.gz DVHWIXASIUKQTH-PIGZYNQJSA-N -2 3 388.416 3.793 20 10 GHCDHL C[C@@H]1CC[C@H](C)[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229787827 1033715030 /nfs/dbraw/zinc/71/50/30/1033715030.db2.gz XOYNQFVTQCZZNI-RLFDGXBXSA-N -2 3 388.416 3.649 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@@H]3CCc4cccnc43)c12 ZINC001234746724 1040272504 /nfs/dbraw/zinc/27/25/04/1040272504.db2.gz DEDUCLSMAOPHBA-OAHLLOKOSA-N -2 3 377.352 3.524 20 10 GHCDHL O=C([O-])CN(Cc1ncc(-c2cccc(F)c2)o1)Cc1cc(Cl)ccc1[O-] ZINC000833249014 601355105 /nfs/dbraw/zinc/35/51/05/601355105.db2.gz SDKINXFVNXDFGW-UHFFFAOYSA-N -2 3 390.798 3.927 20 10 GHCDHL CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1[O-] ZINC000287904277 913583792 /nfs/dbraw/zinc/58/37/92/913583792.db2.gz ZUSRKMGOLVIVOQ-CQSZACIVSA-N -2 3 384.885 3.989 20 10 GHCDHL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000125685229 892894191 /nfs/dbraw/zinc/89/41/91/892894191.db2.gz GPJWEIBXILTUQK-UHFFFAOYSA-N -2 3 382.688 3.979 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(Br)c(Cl)c1 ZINC001189163994 916410029 /nfs/dbraw/zinc/41/00/29/916410029.db2.gz GOBWRIACWYVVJL-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1ccc(Br)c(Cl)c1 ZINC001189164720 916411576 /nfs/dbraw/zinc/41/15/76/916411576.db2.gz YNDPZITWSFWFJK-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c(C)c1C(=O)[O-] ZINC000758164716 929955326 /nfs/dbraw/zinc/95/53/26/929955326.db2.gz ZOMLVDZLUJVTPW-UHFFFAOYSA-N -3 3 390.244 3.815 20 10 GHCDHL COc1ccc2nc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3[O-])sc2c1 ZINC001599636895 994301922 /nfs/dbraw/zinc/30/19/22/994301922.db2.gz MCGQLNQZLLWCTE-UHFFFAOYSA-N -2 3 392.864 3.751 20 10 GHCDHL O=c1c(O[C@@H]2C[C@@H]3CC[C@H]2C3)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12 ZINC001227463180 1032430160 /nfs/dbraw/zinc/43/01/60/1032430160.db2.gz URQGUBSJFVWIJF-VGTOOOLASA-N -2 3 396.395 3.850 20 10 GHCDHL C[C@@H]1CC[C@@H](Oc2cc([O-])cc3oc(-c4cc(O)c([O-])c(O)c4)cc(=O)c23)C1 ZINC001229443706 1033484298 /nfs/dbraw/zinc/48/42/98/1033484298.db2.gz SKQJEPLIMBOPIJ-ZWNOBZJWSA-N -2 3 384.384 3.850 20 10 GHCDHL O=C1c2cccc([O-])c2C(=O)c2c([O-])cc(-c3nnc(C4CCCC4)o3)cc21 ZINC001257512881 1044028345 /nfs/dbraw/zinc/02/83/45/1044028345.db2.gz NZFIAYQRGHVFER-UHFFFAOYSA-N -2 3 376.368 3.581 20 10 GHCDHL CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1C(=O)[O-] ZINC000749771702 1047800835 /nfs/dbraw/zinc/80/08/35/1047800835.db2.gz PEEJLIDOOMKUAW-UHFFFAOYSA-N -2 3 377.462 3.885 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(F)c(Br)c1 ZINC000808115863 886026378 /nfs/dbraw/zinc/02/63/78/886026378.db2.gz VZMRYTLTPVRUMG-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C(=O)[O-] ZINC000808114248 886026448 /nfs/dbraw/zinc/02/64/48/886026448.db2.gz UXMBVRNYKKMEBJ-UHFFFAOYSA-N -3 3 394.207 3.646 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000808115526 886026911 /nfs/dbraw/zinc/02/69/11/886026911.db2.gz HLYAVTFUBRVCCV-UHFFFAOYSA-N -2 3 399.749 3.927 20 10 GHCDHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1Cl ZINC000808115185 886028460 /nfs/dbraw/zinc/02/84/60/886028460.db2.gz RVSHYJINSHICEN-UHFFFAOYSA-N -2 3 380.224 3.956 20 10 GHCDHL CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1[O-] ZINC000287904274 913583993 /nfs/dbraw/zinc/58/39/93/913583993.db2.gz ZUSRKMGOLVIVOQ-AWEZNQCLSA-N -2 3 384.885 3.989 20 10 GHCDHL C[C@@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ncccc1F ZINC001234752220 1040279305 /nfs/dbraw/zinc/27/93/05/1040279305.db2.gz FXEFYVOQCYDDPY-SECBINFHSA-N -2 3 383.331 3.737 20 10 GHCDHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N2CCC(C)CC2)c1 ZINC000738347413 600659473 /nfs/dbraw/zinc/65/94/73/600659473.db2.gz KSTMLGQFHFWYSV-UHFFFAOYSA-N -2 3 388.489 3.730 20 10 GHCDHL Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc([O-])c(Br)c1 ZINC001195307929 872328217 /nfs/dbraw/zinc/32/82/17/872328217.db2.gz CFJSXCJEHCHFLT-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(Br)c1 ZINC000182491098 872448063 /nfs/dbraw/zinc/44/80/63/872448063.db2.gz LVBLWNFGXBJVOR-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL C[C@@H]1CC[C@@H](C)[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229787825 1033714452 /nfs/dbraw/zinc/71/44/52/1033714452.db2.gz XOYNQFVTQCZZNI-CZIZLABSSA-N -2 3 388.416 3.649 20 10 GHCDHL CC[C@H]1CC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001229791277 1033717645 /nfs/dbraw/zinc/71/76/45/1033717645.db2.gz MMEAGESZRYRCLI-AULYBMBSSA-N -2 3 388.416 3.793 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cccc(C(F)(F)F)c1 ZINC001254283472 1040131542 /nfs/dbraw/zinc/13/15/42/1040131542.db2.gz FGQRVFMSYHVQFF-UHFFFAOYSA-N -2 3 396.184 3.974 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CCC(=O)CC3(C)C)c1C2=O ZINC001227993904 1032730222 /nfs/dbraw/zinc/73/02/22/1032730222.db2.gz IABOGSSAACRDRN-SFHVURJKSA-N -2 3 394.423 3.708 20 10 GHCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(O[C@@H]3C[C@H]4CC[C@@H]3C4)c12 ZINC001229444927 1033485671 /nfs/dbraw/zinc/48/56/71/1033485671.db2.gz ZCQOFSTUBPRKKK-WVQJBOLRSA-N -2 3 396.395 3.850 20 10 GHCDHL CC[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)(C)C ZINC001229785093 1033711762 /nfs/dbraw/zinc/71/17/62/1033711762.db2.gz DFEXEVONEXGPJL-OAHLLOKOSA-N -2 3 376.405 3.649 20 10 GHCDHL CCCC[C@@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785251 1033711948 /nfs/dbraw/zinc/71/19/48/1033711948.db2.gz GFTWCHNXGFVPKV-GFCCVEGCSA-N -2 3 376.405 3.793 20 10 GHCDHL CC(C)C(Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786675 1033713159 /nfs/dbraw/zinc/71/31/59/1033713159.db2.gz PEMKBNHERACBHT-UHFFFAOYSA-N -2 3 376.405 3.505 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@H]3COCc4ccccc43)c12 ZINC001234748278 1040273898 /nfs/dbraw/zinc/27/38/98/1040273898.db2.gz IDOSCCMHMWFQTD-FQEVSTJZSA-N -2 3 392.363 3.713 20 10 GHCDHL O=C([O-])CN(Cc1cc(-c2ccc(F)cc2)no1)Cc1cc(Cl)ccc1[O-] ZINC000739793334 600315634 /nfs/dbraw/zinc/31/56/34/600315634.db2.gz FWHHPPMXCFLNNA-UHFFFAOYSA-N -2 3 390.798 3.927 20 10 GHCDHL CN(Cc1nccn1C(F)F)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196496 835095252 /nfs/dbraw/zinc/09/52/52/835095252.db2.gz STVJDNXFBKWNRW-UHFFFAOYSA-N -2 3 387.386 3.552 20 10 GHCDHL COc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc(Cl)c1[O-] ZINC001191155507 917789775 /nfs/dbraw/zinc/78/97/75/917789775.db2.gz JTRZARSFAHWWCA-UHFFFAOYSA-N -2 3 393.226 3.891 20 10 GHCDHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1)C1CCC1 ZINC001227460350 1032428509 /nfs/dbraw/zinc/42/85/09/1032428509.db2.gz FVSJVGKUDGLHHI-SNVBAGLBSA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@H]1CC[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)c(O)c2)C1 ZINC001227460667 1032428538 /nfs/dbraw/zinc/42/85/38/1032428538.db2.gz IXOGASCWOBSZPO-GXFFZTMASA-N -2 3 384.384 3.850 20 10 GHCDHL CC/C=C(\C)[C@@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229789123 1033716108 /nfs/dbraw/zinc/71/61/08/1033716108.db2.gz DLDINYHPAHXZCU-SCBHQAGPSA-N -2 3 388.416 3.959 20 10 GHCDHL CC(C)=CCC[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790047 1033716746 /nfs/dbraw/zinc/71/67/46/1033716746.db2.gz GTSWERBCDMQDMV-GFCCVEGCSA-N -2 3 388.416 3.959 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc(F)cc1Cl ZINC001258915745 1044871593 /nfs/dbraw/zinc/87/15/93/1044871593.db2.gz FOFSRCTUZWOMFJ-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N2CCCCCC2)c1 ZINC000738347990 600757242 /nfs/dbraw/zinc/75/72/42/600757242.db2.gz VPNQOLRZIBFVCB-UHFFFAOYSA-N -2 3 388.489 3.874 20 10 GHCDHL O=c1c(O[C@H]2C=CCCC2)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234739156 1040265851 /nfs/dbraw/zinc/26/58/51/1040265851.db2.gz DEXHCJZCTWNMOI-ZDUSSCGKSA-N -2 3 382.368 3.770 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cc(Br)c(Cl)s1 ZINC001260490266 1045514032 /nfs/dbraw/zinc/51/40/32/1045514032.db2.gz ALVVGHRMEDWEDV-UHFFFAOYSA-N -2 3 386.651 3.810 20 10 GHCDHL O=C([O-])CN(Cc1ncc(-c2ccccc2F)o1)Cc1cc(Cl)ccc1[O-] ZINC000739799582 600953802 /nfs/dbraw/zinc/95/38/02/600953802.db2.gz YPFYVLVCFPMBHO-UHFFFAOYSA-N -2 3 390.798 3.927 20 10 GHCDHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001196549533 873202084 /nfs/dbraw/zinc/20/20/84/873202084.db2.gz AYIYCUBLACMDPC-UHFFFAOYSA-N -2 3 378.194 3.542 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CCC(=O)CC3(C)C)c1C2=O ZINC001227993903 1032730056 /nfs/dbraw/zinc/73/00/56/1032730056.db2.gz IABOGSSAACRDRN-GOSISDBHSA-N -2 3 394.423 3.708 20 10 GHCDHL COc1ccc(N2CCN(CCCNc3cc([S-])cc([S-])c3)CC2)cc1 ZINC001164335671 1026489539 /nfs/dbraw/zinc/48/95/39/1026489539.db2.gz FTOVNPOEITXPMG-UHFFFAOYSA-N -2 3 389.590 3.897 20 10 GHCDHL CC(C)CC[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229784958 1033711596 /nfs/dbraw/zinc/71/15/96/1033711596.db2.gz DBRUJGLKMOLJST-NSHDSACASA-N -2 3 376.405 3.649 20 10 GHCDHL C[C@@H]1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1C ZINC001229786979 1033712576 /nfs/dbraw/zinc/71/25/76/1033712576.db2.gz PRAADFCHVMTEIW-NTZNESFSSA-N -2 3 388.416 3.649 20 10 GHCDHL O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc([O-])c(F)c3)SC2=S)c1 ZINC000755405433 1050482740 /nfs/dbraw/zinc/48/27/40/1050482740.db2.gz ZVCVMZJGLZOKKS-AUWJEWJLSA-N -2 3 375.402 3.635 20 10 GHCDHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000225613899 856694471 /nfs/dbraw/zinc/69/44/71/856694471.db2.gz GKUZLEMTQDIIOU-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(C)C ZINC000788491996 878100575 /nfs/dbraw/zinc/10/05/75/878100575.db2.gz IEBCYVOHQOGSMD-UHFFFAOYSA-N -2 3 380.422 3.542 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cccc(OC(F)(F)F)c1 ZINC000808115875 886026776 /nfs/dbraw/zinc/02/67/76/886026776.db2.gz WQSLFYLJFFMNOE-UHFFFAOYSA-N -2 3 385.722 3.884 20 10 GHCDHL O=C([O-])c1cccc(N2C(=O)/C(=C/c3c(F)ccc([O-])c3F)SC2=S)c1 ZINC000794934498 888951451 /nfs/dbraw/zinc/95/14/51/888951451.db2.gz SOBSUKPVGKTYGF-QPEQYQDCSA-N -2 3 393.392 3.774 20 10 GHCDHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c(C)c(C)c1O ZINC000775291877 916837016 /nfs/dbraw/zinc/83/70/16/916837016.db2.gz QIDCVTVKGMDBBA-UHFFFAOYSA-N -2 3 377.462 3.940 20 10 GHCDHL Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC000775288018 916856137 /nfs/dbraw/zinc/85/61/37/916856137.db2.gz HSLRBUNBXMYWGZ-UHFFFAOYSA-N -2 3 397.412 3.746 20 10 GHCDHL COC1=CC[C@@H](Oc2cc([O-])cc3c2C(=O)c2c([O-])cc(C)cc2C3=O)CC1 ZINC001227993600 1032729469 /nfs/dbraw/zinc/72/94/69/1032729469.db2.gz CXERVYZIASZCPE-CQSZACIVSA-N -2 3 380.396 3.643 20 10 GHCDHL [O-]c1ccc(CN2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)cc1Cl ZINC001462514489 1070318350 /nfs/dbraw/zinc/31/83/50/1070318350.db2.gz GGBUWIGXUZGODB-UHFFFAOYSA-N -2 3 385.266 3.862 20 10 GHCDHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)ccc1Br ZINC001261047760 1045865704 /nfs/dbraw/zinc/86/57/04/1045865704.db2.gz JWCVPNLSMAHJAV-UHFFFAOYSA-N -2 3 378.194 3.542 20 10 GHCDHL COc1cccc([C@H](CC(=O)[O-])NCc2c([O-])ccc(Cl)c2F)c1OC ZINC000756336693 1051036855 /nfs/dbraw/zinc/03/68/55/1051036855.db2.gz GHHUSXLTKXLSLH-ZDUSSCGKSA-N -2 3 383.803 3.508 20 10 GHCDHL Cc1sc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(C)c1C ZINC000833034159 601006911 /nfs/dbraw/zinc/00/69/11/601006911.db2.gz PTAQJLVYZJERHL-UHFFFAOYSA-N -2 3 396.896 3.558 20 10 GHCDHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)c1)CCCC2 ZINC000808115559 886025980 /nfs/dbraw/zinc/02/59/80/886025980.db2.gz JDXCZXHYTWYXDG-UHFFFAOYSA-N -3 3 399.827 3.563 20 10 GHCDHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c2cccnc12 ZINC000808114168 886026548 /nfs/dbraw/zinc/02/65/48/886026548.db2.gz STKLLHJAPBDKMD-UHFFFAOYSA-N -2 3 382.800 3.542 20 10 GHCDHL O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758169812 929958197 /nfs/dbraw/zinc/95/81/97/929958197.db2.gz ZRNMEWSSOJNYCM-UHFFFAOYSA-N -2 3 381.168 3.547 20 10 GHCDHL C[C@H]1CC[C@H](Oc2c(=O)c3ccc([O-])cc3oc2-c2cc(O)c([O-])c(O)c2)C1 ZINC001227650262 1032502840 /nfs/dbraw/zinc/50/28/40/1032502840.db2.gz NLDYBSSLRLBENW-GWCFXTLKSA-N -2 3 384.384 3.850 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)c3ncccc3F)c1C2=O ZINC001227994986 1032729334 /nfs/dbraw/zinc/72/93/34/1032729334.db2.gz QESPFPRJPCTKIS-NSHDSACASA-N -2 3 393.370 3.856 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc(F)c(Cl)c1 ZINC001254941577 1040680289 /nfs/dbraw/zinc/68/02/89/1040680289.db2.gz MMTOYKBBNLQKDB-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)c(OC)c1 ZINC001258959925 1044906689 /nfs/dbraw/zinc/90/66/89/1044906689.db2.gz WWSTZMNSZBRAMG-UHFFFAOYSA-N -2 3 378.233 3.517 20 10 GHCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)cc1Cl ZINC001259136429 1044977336 /nfs/dbraw/zinc/97/73/36/1044977336.db2.gz VUQGEFGFBMCEJX-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL O=S(=O)([N-]c1c([S-])cccc1Cl)c1ccc(Cl)c2nonc21 ZINC001261073839 1045890165 /nfs/dbraw/zinc/89/01/65/1045890165.db2.gz WFNNOUYGMCYLHK-UHFFFAOYSA-N -2 3 376.246 3.619 20 10 GHCDHL Cc1c(Cl)cccc1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738290851 600144320 /nfs/dbraw/zinc/14/43/20/600144320.db2.gz LFXCHVFCFRNOAK-UHFFFAOYSA-N -2 3 397.258 3.533 20 10 GHCDHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1Br ZINC000225614412 856694619 /nfs/dbraw/zinc/69/46/19/856694619.db2.gz FJTHSTKLUOQOLG-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL C[C@@H]1CC[C@H](Oc2c(=O)c3ccc([O-])cc3oc2-c2cc(O)c([O-])c(O)c2)C1 ZINC001227650265 1032502766 /nfs/dbraw/zinc/50/27/66/1032502766.db2.gz NLDYBSSLRLBENW-MFKMUULPSA-N -2 3 384.384 3.850 20 10 GHCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)c12 ZINC001229444929 1033485804 /nfs/dbraw/zinc/48/58/04/1033485804.db2.gz ZCYYRHDCTYJHAB-WVQJBOLRSA-N -2 3 394.379 3.626 20 10 GHCDHL O=C1c2cccc([O-])c2C(=O)c2c([O-])cc(-c3nnc(-c4ccccc4)o3)cc21 ZINC001253054196 1039382885 /nfs/dbraw/zinc/38/28/85/1039382885.db2.gz NSZHIVDIYWNESH-UHFFFAOYSA-N -2 3 384.347 3.590 20 10 GHCDHL C[C@@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ccncc1F ZINC001234753692 1040281655 /nfs/dbraw/zinc/28/16/55/1040281655.db2.gz QRZAZNVYYDBEHW-SECBINFHSA-N -2 3 383.331 3.737 20 10 GHCDHL O=C([O-])CN(Cc1cnc(-c2ccccc2)nc1)Cc1cc(Cl)ccc1[O-] ZINC000739799575 600315807 /nfs/dbraw/zinc/31/58/07/600315807.db2.gz WUBWTYVAYZQAEP-UHFFFAOYSA-N -2 3 383.835 3.589 20 10 GHCDHL O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(O)c([O-])c(Cl)c1 ZINC001193626321 871195939 /nfs/dbraw/zinc/19/59/39/871195939.db2.gz UURVLUAZVZCZNZ-UHFFFAOYSA-N -2 3 379.199 3.588 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cc(Cl)c(Br)cc1F ZINC001196822569 873417190 /nfs/dbraw/zinc/41/71/90/873417190.db2.gz AVMGKVQFMMNFMU-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL CCCC[C@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785254 1033711294 /nfs/dbraw/zinc/71/12/94/1033711294.db2.gz GFTWCHNXGFVPKV-LBPRGKRZSA-N -2 3 376.405 3.793 20 10 GHCDHL CCC[C@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786401 1033712729 /nfs/dbraw/zinc/71/27/29/1033712729.db2.gz NIPFUMDZZQKZNO-INIZCTEOSA-N -2 3 376.405 3.649 20 10 GHCDHL Cc1ccc([C@@H](C)Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001229790939 1033718430 /nfs/dbraw/zinc/71/84/30/1033718430.db2.gz LMRNSKLOERQCFQ-GFCCVEGCSA-N -2 3 396.395 3.894 20 10 GHCDHL C[C@@H](Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1)C(F)(F)F ZINC001234736929 1040262851 /nfs/dbraw/zinc/26/28/51/1040262851.db2.gz GPUALHMUSLXKSW-SSDOTTSWSA-N -2 3 398.289 3.612 20 10 GHCDHL O=c1c(OC2CCCCC2)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234737796 1040264061 /nfs/dbraw/zinc/26/40/61/1040264061.db2.gz SFLZYBLDLZLUTO-UHFFFAOYSA-N -2 3 384.384 3.994 20 10 GHCDHL O=c1c(O[C@@H]2C[C@@H]3CC[C@H]2C3)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234740286 1040266087 /nfs/dbraw/zinc/26/60/87/1040266087.db2.gz WHHGLKHXUOLNJC-IFUGULHKSA-N -2 3 396.395 3.850 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@H](c3cccnc3)C3CC3)c12 ZINC001234750217 1040277497 /nfs/dbraw/zinc/27/74/97/1040277497.db2.gz APKJICKZDYDQSI-QFIPXVFZSA-N -2 3 391.379 3.988 20 10 GHCDHL CC1(C)C(=O)CCC[C@@H]1Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234754095 1040282631 /nfs/dbraw/zinc/28/26/31/1040282631.db2.gz UDVFBTJUWSNMAM-SFHVURJKSA-N -2 3 384.384 3.590 20 10 GHCDHL CC1(C)CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc21 ZINC001348369251 1063025243 /nfs/dbraw/zinc/02/52/43/1063025243.db2.gz DJFAKAIUEBLEPL-UHFFFAOYSA-N -2 3 398.843 3.605 20 10 GHCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000739794195 600409891 /nfs/dbraw/zinc/40/98/91/600409891.db2.gz WLWPLCGOLOWSTH-UHFFFAOYSA-N -2 3 385.203 3.694 20 10 GHCDHL O=C([O-])CN(Cc1csc(-c2ccco2)n1)Cc1cc(Cl)ccc1[O-] ZINC000739799346 600506504 /nfs/dbraw/zinc/50/65/04/600506504.db2.gz ARVBGUHEFGQNKP-UHFFFAOYSA-N -2 3 378.837 3.849 20 10 GHCDHL Nc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)c([O-])c(Cl)c2)cc1Cl ZINC001214489278 857358736 /nfs/dbraw/zinc/35/87/36/857358736.db2.gz AGIVEZKFLZITMV-UHFFFAOYSA-N -2 3 385.631 3.875 20 10 GHCDHL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1OCC ZINC000808114436 886026864 /nfs/dbraw/zinc/02/68/64/886026864.db2.gz YCCPMJHJXGXUQB-UHFFFAOYSA-N -2 3 389.832 3.783 20 10 GHCDHL O=C([O-])c1cccc(N2C(=O)/C(=C\c3c(F)ccc([O-])c3F)SC2=S)c1 ZINC000794934497 888951661 /nfs/dbraw/zinc/95/16/61/888951661.db2.gz SOBSUKPVGKTYGF-NTUHNPAUSA-N -2 3 393.392 3.774 20 10 GHCDHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c(C)c(C)c1O ZINC000775291789 916835471 /nfs/dbraw/zinc/83/54/71/916835471.db2.gz OVXHYSTZHLHQLX-UHFFFAOYSA-N -2 3 383.853 3.778 20 10 GHCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cc(Br)ccc1Cl ZINC001189756419 916881364 /nfs/dbraw/zinc/88/13/64/916881364.db2.gz LRTZFSGSWOUWOL-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL O=c1c(O[C@@H]2C=CCCC2)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234739155 1040266606 /nfs/dbraw/zinc/26/66/06/1040266606.db2.gz DEXHCJZCTWNMOI-CYBMUJFWSA-N -2 3 382.368 3.770 20 10 GHCDHL CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC001259725261 1045276423 /nfs/dbraw/zinc/27/64/23/1045276423.db2.gz KRSKMQWMYWVVFB-UHFFFAOYSA-N -2 3 397.884 3.720 20 10 GHCDHL Cc1oc2c(ccc([O-])c2CN2CCC(C(=O)[O-])CC2)c(=O)c1-c1ccccc1 ZINC000740274174 596914142 /nfs/dbraw/zinc/91/41/42/596914142.db2.gz KBKOZNKQYQESPU-UHFFFAOYSA-N -2 3 393.439 3.771 20 10 GHCDHL CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC001187463662 915274473 /nfs/dbraw/zinc/27/44/73/915274473.db2.gz FPLKLGDRJZFUKG-UHFFFAOYSA-N -2 3 383.853 3.798 20 10 GHCDHL COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)Cc2cc(F)ccc2[O-])c1 ZINC001599475501 998524595 /nfs/dbraw/zinc/52/45/95/998524595.db2.gz RMTZCJWXJWZSBD-INIZCTEOSA-N -2 3 398.228 3.560 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CCc4cccnc43)c1C2=O ZINC001227993320 1032728578 /nfs/dbraw/zinc/72/85/78/1032728578.db2.gz ALZRIKAQKJPNHE-KRWDZBQOSA-N -2 3 387.391 3.643 20 10 GHCDHL O=C(Nc1ccc2[nH]ccc2c1)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001152601941 1031300919 /nfs/dbraw/zinc/30/09/19/1031300919.db2.gz NSPZQQHGEAMRRY-UHFFFAOYSA-N -2 3 398.374 3.607 20 10 GHCDHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1OC ZINC000766891594 872058381 /nfs/dbraw/zinc/05/83/81/872058381.db2.gz GWDXSKSFMYSXOM-UHFFFAOYSA-N -2 3 392.260 3.825 20 10 GHCDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)ccc1Cl ZINC000808115535 886027024 /nfs/dbraw/zinc/02/70/24/886027024.db2.gz HXIDHPXDWKEMAY-UHFFFAOYSA-N -2 3 381.168 3.547 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188235783 915813139 /nfs/dbraw/zinc/81/31/39/915813139.db2.gz GBBUZYPWURIVTN-UHFFFAOYSA-N -2 3 388.701 3.538 20 10 GHCDHL C[C@@H]1CC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@H]1C ZINC001229786980 1033714631 /nfs/dbraw/zinc/71/46/31/1033714631.db2.gz PRAADFCHVMTEIW-WZRBSPASSA-N -2 3 388.416 3.649 20 10 GHCDHL O=c1c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234740178 1040266333 /nfs/dbraw/zinc/26/63/33/1040266333.db2.gz UHUOCUCYUDNXJF-JVLSTEMRSA-N -2 3 394.379 3.626 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@H]3CCOc4ccccc43)c12 ZINC001234748120 1040274136 /nfs/dbraw/zinc/27/41/36/1040274136.db2.gz FTHXBMTVUGHDNJ-KRWDZBQOSA-N -2 3 392.363 3.966 20 10 GHCDHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1C(=O)[O-] ZINC000755982830 1050906206 /nfs/dbraw/zinc/90/62/06/1050906206.db2.gz CRWVFZFSOCHUCO-UHFFFAOYSA-N -2 3 393.461 3.722 20 10 GHCDHL Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c(C)c(C)c1O ZINC000775286803 916853480 /nfs/dbraw/zinc/85/34/80/916853480.db2.gz BAJJUGKKYTVJTJ-UHFFFAOYSA-N -2 3 383.853 3.778 20 10 GHCDHL C[C@@H](Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1)C(F)(F)F ZINC001227648247 1032502084 /nfs/dbraw/zinc/50/20/84/1032502084.db2.gz VSFUKKIEJWYZTO-SSDOTTSWSA-N -2 3 398.289 3.612 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)c3ccncc3)c1C2=O ZINC001227993621 1032729378 /nfs/dbraw/zinc/72/93/78/1032729378.db2.gz DEGPTWLMFFVUCG-LBPRGKRZSA-N -2 3 375.380 3.717 20 10 GHCDHL C[C@H](Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12)C1CCC1 ZINC001229443361 1033483771 /nfs/dbraw/zinc/48/37/71/1033483771.db2.gz OWLOJGMDKLSYSV-JTQLQIEISA-N -2 3 384.384 3.850 20 10 GHCDHL O=C1c2cccc([O-])c2C(=O)c2c([O-])cc(-c3nnc(CC4CCCC4)o3)cc21 ZINC001258617032 1044670789 /nfs/dbraw/zinc/67/07/89/1044670789.db2.gz BUETXSLHGSNGQU-UHFFFAOYSA-N -2 3 390.395 3.656 20 10 GHCDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1C ZINC000755984389 1050906396 /nfs/dbraw/zinc/90/63/96/1050906396.db2.gz SHKGEYPAMXZHPP-UHFFFAOYSA-N -2 3 377.462 3.940 20 10 GHCDHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)C)c(O)cc1C ZINC000755985117 1050906509 /nfs/dbraw/zinc/90/65/09/1050906509.db2.gz MLMUZGJPDJEKAU-UHFFFAOYSA-N -2 3 377.462 3.885 20 10 GHCDHL O=C([O-])CN(Cc1ncc(-c2ccc(F)cc2)o1)Cc1cc(Cl)ccc1[O-] ZINC000739799342 600145773 /nfs/dbraw/zinc/14/57/73/600145773.db2.gz AMVQLMDRDNMWBA-UHFFFAOYSA-N -2 3 390.798 3.927 20 10 GHCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739794193 600216366 /nfs/dbraw/zinc/21/63/66/600216366.db2.gz WJOVAUBOEUXANF-UHFFFAOYSA-N -2 3 385.203 3.694 20 10 GHCDHL CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694598 605247555 /nfs/dbraw/zinc/24/75/55/605247555.db2.gz OOOLASOTXQUPGJ-CQSZACIVSA-N -2 3 377.721 3.860 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793407303 882149748 /nfs/dbraw/zinc/14/97/48/882149748.db2.gz YAAIVYJDCNRLOQ-UHFFFAOYSA-N -2 3 381.425 3.771 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(OCC(F)F)cc1 ZINC000808113743 886021673 /nfs/dbraw/zinc/02/16/73/886021673.db2.gz IGMKTDDQXWDBDO-UHFFFAOYSA-N -2 3 381.759 3.629 20 10 GHCDHL CCOC([O-])=NC(=S)N=c1[nH]cccc1NCc1cc2ccccc2cc1[O-] ZINC001171406658 904517664 /nfs/dbraw/zinc/51/76/64/904517664.db2.gz OSZNGTCSSBVMAE-UHFFFAOYSA-N -2 3 396.472 3.995 20 10 GHCDHL COCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000758163315 929954856 /nfs/dbraw/zinc/95/48/56/929954856.db2.gz QPJRHGSDHFKOSN-UHFFFAOYSA-N -2 3 376.261 3.689 20 10 GHCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001227651300 1032504144 /nfs/dbraw/zinc/50/41/44/1032504144.db2.gz TYXOJCDSSMZMSR-WVQJBOLRSA-N -2 3 396.395 3.850 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CCc4cccnc43)c1C2=O ZINC001227993325 1032727764 /nfs/dbraw/zinc/72/77/64/1032727764.db2.gz ALZRIKAQKJPNHE-QGZVFWFLSA-N -2 3 387.391 3.643 20 10 GHCDHL COC1CCC(Oc2cc([O-])cc3c2C(=O)c2c([O-])cc(C)cc2C3=O)CC1 ZINC001227993875 1032729274 /nfs/dbraw/zinc/72/92/74/1032729274.db2.gz GRVKOUVEKPBTCB-UHFFFAOYSA-N -2 3 382.412 3.518 20 10 GHCDHL O=C(Nc1ccc2c(c1)N=NC2)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001152606289 1031302144 /nfs/dbraw/zinc/30/21/44/1031302144.db2.gz BBLVPDLANYQEQU-UHFFFAOYSA-N -2 3 399.362 3.723 20 10 GHCDHL C[C@@H](Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12)C1=CC=C[CH]1 ZINC001229442881 1033483568 /nfs/dbraw/zinc/48/35/68/1033483568.db2.gz LOHURZQPLLHEDG-LLVKDONJSA-N -3 3 393.371 3.750 20 10 GHCDHL CC(C)CC[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229784957 1033711423 /nfs/dbraw/zinc/71/14/23/1033711423.db2.gz DBRUJGLKMOLJST-LLVKDONJSA-N -2 3 376.405 3.649 20 10 GHCDHL C[C@@H]1CCC[C@H](C)[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790889 1033715605 /nfs/dbraw/zinc/71/56/05/1033715605.db2.gz KIEFAMUHADHYFZ-CGEVSNMPSA-N -2 3 388.416 3.649 20 10 GHCDHL CCCC/C=C/[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229789101 1033715795 /nfs/dbraw/zinc/71/57/95/1033715795.db2.gz DCFBNMHSBDACKU-NNNHXZLVSA-N -2 3 388.416 3.959 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000766319686 1068151558 /nfs/dbraw/zinc/15/15/58/1068151558.db2.gz JWOARHUOGWRMQD-UHFFFAOYSA-N -2 3 380.422 3.547 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(Br)c(F)c1 ZINC000808114473 886024637 /nfs/dbraw/zinc/02/46/37/886024637.db2.gz ZUBBCOFHCVCIAW-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL O=c1c(O[C@H]2C[C@H]3C=C[C@@H]2C3)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12 ZINC001227460357 1032428354 /nfs/dbraw/zinc/42/83/54/1032428354.db2.gz GCQYKQBZYSIIEK-RVPKQNPDSA-N -2 3 394.379 3.626 20 10 GHCDHL C[C@H](Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12)C1=CC=C[CH]1 ZINC001229442882 1033483756 /nfs/dbraw/zinc/48/37/56/1033483756.db2.gz LOHURZQPLLHEDG-NSHDSACASA-N -3 3 393.371 3.750 20 10 GHCDHL O=c1c(O[C@@H]2C[C@H]3CC[C@@H]2C3)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234740287 1040265098 /nfs/dbraw/zinc/26/50/98/1040265098.db2.gz WHHGLKHXUOLNJC-JVLSTEMRSA-N -2 3 396.395 3.850 20 10 GHCDHL O=C([O-])CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1cc(Cl)ccc1[O-] ZINC000739799495 600145572 /nfs/dbraw/zinc/14/55/72/600145572.db2.gz RDNJSHTZAWWBNY-UHFFFAOYSA-N -2 3 390.798 3.927 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832898952 601492727 /nfs/dbraw/zinc/49/27/27/601492727.db2.gz MORMJVDIIPPXHO-RMKNXTFCSA-N -2 3 375.446 3.723 20 10 GHCDHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)c1 ZINC001187582850 915350386 /nfs/dbraw/zinc/35/03/86/915350386.db2.gz YYIDEYQWJBDHHR-UHFFFAOYSA-N -3 3 396.635 3.851 20 10 GHCDHL COc1ccc(Br)c([C@H](C(=O)[O-])N(C)Cc2cc(F)ccc2[O-])c1 ZINC001599475502 998524019 /nfs/dbraw/zinc/52/40/19/998524019.db2.gz RMTZCJWXJWZSBD-MRXNPFEDSA-N -2 3 398.228 3.560 20 10 GHCDHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1)C1=CC=C[CH]1 ZINC001227462040 1032429588 /nfs/dbraw/zinc/42/95/88/1032429588.db2.gz FBGCJHMQKXSTHH-NSHDSACASA-N -3 3 393.371 3.750 20 10 GHCDHL COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(Cl)c(F)cc1[O-] ZINC001204867629 1033132294 /nfs/dbraw/zinc/13/22/94/1033132294.db2.gz XAOOZTHQDDWRDE-UHFFFAOYSA-N -2 3 388.222 3.719 20 10 GHCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(O[C@@H]3C[C@@H]4CC[C@H]3C4)c12 ZINC001229448034 1033487383 /nfs/dbraw/zinc/48/73/83/1033487383.db2.gz ZCQOFSTUBPRKKK-VGTOOOLASA-N -2 3 396.395 3.850 20 10 GHCDHL C[C@@H]1CC[C@H](C)[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229787830 1033714863 /nfs/dbraw/zinc/71/48/63/1033714863.db2.gz XOYNQFVTQCZZNI-VGTOOOLASA-N -2 3 388.416 3.649 20 10 GHCDHL C[C@H](Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1)C1=CC=C[CH]1 ZINC001234740225 1040265369 /nfs/dbraw/zinc/26/53/69/1040265369.db2.gz UNHUTKNWPNNXCQ-NSHDSACASA-N -3 3 393.371 3.750 20 10 GHCDHL O=c1c(OC(C2CC2)C2CC2)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234739029 1040265420 /nfs/dbraw/zinc/26/54/20/1040265420.db2.gz DDMHFLXHVGJBOK-UHFFFAOYSA-N -2 3 396.395 3.850 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1cc(Br)c(Cl)s1 ZINC001260490263 1045513831 /nfs/dbraw/zinc/51/38/31/1045513831.db2.gz AGMUXPPZUZRQJJ-UHFFFAOYSA-N -2 3 386.651 3.810 20 10 GHCDHL O=C([O-])C[C@H](NCc1c([O-])ccc(Cl)c1F)c1cnn(-c2ccccc2)c1 ZINC000756377981 1051060248 /nfs/dbraw/zinc/06/02/48/1051060248.db2.gz CJYYASYZLGKERX-INIZCTEOSA-N -2 3 389.814 3.676 20 10 GHCDHL CCc1nc(CN(C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])cs1 ZINC000728198963 835099420 /nfs/dbraw/zinc/09/94/20/835099420.db2.gz QZVOPCUHJBKSLN-UHFFFAOYSA-N -2 3 382.485 3.980 20 10 GHCDHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(=O)[O-] ZINC000794872645 888598534 /nfs/dbraw/zinc/59/85/34/888598534.db2.gz KXFAAAZOZRCGRM-UHFFFAOYSA-N -3 3 376.217 3.506 20 10 GHCDHL C[C@H]1CCC[C@@H]1Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1 ZINC001227647664 1032501630 /nfs/dbraw/zinc/50/16/30/1032501630.db2.gz DFOXDKDPUULXPS-QFYYESIMSA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@@H]1CC[C@H](Oc2cc([O-])cc3oc(-c4cc(O)c([O-])c(O)c4)cc(=O)c23)C1 ZINC001229443704 1033483478 /nfs/dbraw/zinc/48/34/78/1033483478.db2.gz SKQJEPLIMBOPIJ-MFKMUULPSA-N -2 3 384.384 3.850 20 10 GHCDHL CCCC(CCC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787775 1033714692 /nfs/dbraw/zinc/71/46/92/1033714692.db2.gz WLXPHGXHMSHWOX-UHFFFAOYSA-N -2 3 376.405 3.793 20 10 GHCDHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)ccc1Br ZINC001261048075 1045868331 /nfs/dbraw/zinc/86/83/31/1045868331.db2.gz CWLOZFXAHSXHQN-UHFFFAOYSA-N -2 3 378.194 3.542 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(F)c(Br)c1 ZINC000776751381 879945565 /nfs/dbraw/zinc/94/55/65/879945565.db2.gz UMZLCMDLBVLREF-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(Br)c(Cl)c1 ZINC001189170430 916468394 /nfs/dbraw/zinc/46/83/94/916468394.db2.gz COXZPVKKXGKKNN-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)c3ccncc3)c1C2=O ZINC001227993620 1032730249 /nfs/dbraw/zinc/73/02/49/1032730249.db2.gz DEGPTWLMFFVUCG-GFCCVEGCSA-N -2 3 375.380 3.717 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)c3ccncc3F)c1C2=O ZINC001227994662 1032730309 /nfs/dbraw/zinc/73/03/09/1032730309.db2.gz OYRBTUVCYAJVEB-LLVKDONJSA-N -2 3 393.370 3.856 20 10 GHCDHL C[C@H]1CCC[C@H]1Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12 ZINC001229443562 1033484012 /nfs/dbraw/zinc/48/40/12/1033484012.db2.gz QMLOUWKZWCIYRJ-MGPLVRAMSA-N -2 3 384.384 3.850 20 10 GHCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(O[C@H]3C[C@H]4C=C[C@@H]3C4)c12 ZINC001229444928 1033485414 /nfs/dbraw/zinc/48/54/14/1033485414.db2.gz ZCYYRHDCTYJHAB-RVPKQNPDSA-N -2 3 394.379 3.626 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000832900199 601830441 /nfs/dbraw/zinc/83/04/41/601830441.db2.gz SIBIISAPHORDCJ-UHFFFAOYSA-N -2 3 383.853 3.976 20 10 GHCDHL CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000793415544 882193147 /nfs/dbraw/zinc/19/31/47/882193147.db2.gz LXWSBBUTUKZXQH-UHFFFAOYSA-N -2 3 390.244 3.677 20 10 GHCDHL O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1cc(F)ccc1Cl ZINC000805135569 883616734 /nfs/dbraw/zinc/61/67/34/883616734.db2.gz OIQDEWOGYMNHFP-UHFFFAOYSA-N -2 3 384.643 3.970 20 10 GHCDHL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)ccc21 ZINC000808114685 886024250 /nfs/dbraw/zinc/02/42/50/886024250.db2.gz DXYQQUVPPHXYBI-UHFFFAOYSA-N -2 3 383.832 3.916 20 10 GHCDHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)c1[N+](=O)[O-] ZINC000811704401 889878326 /nfs/dbraw/zinc/87/83/26/889878326.db2.gz FIJUDZCBVWAIFC-UHFFFAOYSA-N -2 3 394.449 3.643 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)c3cccnc3F)c1C2=O ZINC001227993407 1032728719 /nfs/dbraw/zinc/72/87/19/1032728719.db2.gz BYTOTIIJTSCPSU-LLVKDONJSA-N -2 3 393.370 3.856 20 10 GHCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1O[C@@H]1CCC=CCCC1 ZINC001229785127 1033711097 /nfs/dbraw/zinc/71/10/97/1033711097.db2.gz FDRNWXWKHPFXNO-CYBMUJFWSA-N -2 3 386.400 3.713 20 10 GHCDHL C[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1cccs1 ZINC001229787238 1033714494 /nfs/dbraw/zinc/71/44/94/1033714494.db2.gz SWSLALBGNKWBBW-SECBINFHSA-N -2 3 388.397 3.647 20 10 GHCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000743260151 1045288582 /nfs/dbraw/zinc/28/85/82/1045288582.db2.gz XUPKVONLLNBUJS-UHFFFAOYSA-N -2 3 376.217 3.506 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(OC(F)F)c(F)c1 ZINC000808113897 886021805 /nfs/dbraw/zinc/02/18/05/886021805.db2.gz KZKTXVMRMDLOPX-UHFFFAOYSA-N -2 3 385.722 3.726 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)c3ccncc3F)c1C2=O ZINC001227994663 1032729939 /nfs/dbraw/zinc/72/99/39/1032729939.db2.gz OYRBTUVCYAJVEB-NSHDSACASA-N -2 3 393.370 3.856 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CCOC(C)(C)C3)c1C2=O ZINC001227994575 1032730509 /nfs/dbraw/zinc/73/05/09/1032730509.db2.gz NLUXMNLUDTUDOJ-CYBMUJFWSA-N -2 3 382.412 3.518 20 10 GHCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1O[C@H]1CCC=CCCC1 ZINC001229785129 1033711534 /nfs/dbraw/zinc/71/15/34/1033711534.db2.gz FDRNWXWKHPFXNO-ZDUSSCGKSA-N -2 3 386.400 3.713 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833747026 605125939 /nfs/dbraw/zinc/12/59/39/605125939.db2.gz OPTNELASGDEINA-UHFFFAOYSA-N -2 3 389.473 3.741 20 10 GHCDHL CN(Cc1cc(Cl)cc(F)c1[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694597 605247663 /nfs/dbraw/zinc/24/76/63/605247663.db2.gz OOOLASOTXQUPGJ-AWEZNQCLSA-N -2 3 377.721 3.860 20 10 GHCDHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000776748860 879923787 /nfs/dbraw/zinc/92/37/87/879923787.db2.gz MBKAGUXCRAQZBF-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(=O)OC(C)C ZINC000808104724 886018740 /nfs/dbraw/zinc/01/87/40/886018740.db2.gz NNNQYVOTFUNGGB-UHFFFAOYSA-N -2 3 383.853 3.720 20 10 GHCDHL O=c1c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12 ZINC001227460359 1032428757 /nfs/dbraw/zinc/42/87/57/1032428757.db2.gz GCQYKQBZYSIIEK-WVQJBOLRSA-N -2 3 394.379 3.626 20 10 GHCDHL C[C@H]1CCC[C@H]1Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1 ZINC001227647663 1032501386 /nfs/dbraw/zinc/50/13/86/1032501386.db2.gz DFOXDKDPUULXPS-MGPLVRAMSA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@H]1CCC[C@@H]1Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12 ZINC001229443563 1033483653 /nfs/dbraw/zinc/48/36/53/1033483653.db2.gz QMLOUWKZWCIYRJ-QFYYESIMSA-N -2 3 384.384 3.850 20 10 GHCDHL CC1(C)CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229792828 1033719357 /nfs/dbraw/zinc/71/93/57/1033719357.db2.gz UENASZOGKSYHLM-GFCCVEGCSA-N -2 3 388.416 3.793 20 10 GHCDHL C[C@@H](COc1ccccc1)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234746555 1040272439 /nfs/dbraw/zinc/27/24/39/1040272439.db2.gz AJELWRFLDUEVMK-LBPRGKRZSA-N -2 3 394.379 3.909 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@@H]3COCc4ccccc43)c12 ZINC001234748280 1040275058 /nfs/dbraw/zinc/27/50/58/1040275058.db2.gz IDOSCCMHMWFQTD-HXUWFJFHSA-N -2 3 392.363 3.713 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc(C(F)(F)F)cc1 ZINC001255920596 1041409055 /nfs/dbraw/zinc/40/90/55/1041409055.db2.gz ALZMGGXQHPOIKX-UHFFFAOYSA-N -2 3 396.184 3.974 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cnc2ccccc2c1 ZINC001260010394 1045353235 /nfs/dbraw/zinc/35/32/35/1045353235.db2.gz FRAMMQOHBXHUSD-UHFFFAOYSA-N -2 3 379.235 3.504 20 10 GHCDHL CCO[C@@H](C)c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1 ZINC000737156087 600261580 /nfs/dbraw/zinc/26/15/80/600261580.db2.gz BXHXRPPWGSTSJY-NSHDSACASA-N -2 3 384.885 3.686 20 10 GHCDHL O=C([O-])CN(Cc1nc2ccccc2n1C(F)F)Cc1cc(Cl)ccc1[O-] ZINC000833249558 601006685 /nfs/dbraw/zinc/00/66/85/601006685.db2.gz YDKASGCBNOYHGR-UHFFFAOYSA-N -2 3 395.793 3.877 20 10 GHCDHL Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808115813 886026076 /nfs/dbraw/zinc/02/60/76/886026076.db2.gz TZBDERNCBUGAFT-UHFFFAOYSA-N -2 3 395.195 3.856 20 10 GHCDHL C[C@@H]1CC[C@@H](Oc2c(=O)c3ccc([O-])cc3oc2-c2cc(O)c([O-])c(O)c2)C1 ZINC001227650267 1032503588 /nfs/dbraw/zinc/50/35/88/1032503588.db2.gz NLDYBSSLRLBENW-ZWNOBZJWSA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@@H](Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1)C1CCC1 ZINC001234737630 1040264173 /nfs/dbraw/zinc/26/41/73/1040264173.db2.gz NRGKYKHLYQBZNC-SNVBAGLBSA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@H]1CC[C@@H](Oc2c(=O)c3c([O-])c(O)c([O-])cc3oc2-c2ccc(O)cc2)C1 ZINC001234740270 1040264875 /nfs/dbraw/zinc/26/48/75/1040264875.db2.gz VUUUGMSSDZLIKM-GXFFZTMASA-N -2 3 384.384 3.850 20 10 GHCDHL C[C@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ccncc1F ZINC001234753706 1040281693 /nfs/dbraw/zinc/28/16/93/1040281693.db2.gz QRZAZNVYYDBEHW-VIFPVBQESA-N -2 3 383.331 3.737 20 10 GHCDHL Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2[O-])c(F)cc1F ZINC001463829223 1064654231 /nfs/dbraw/zinc/65/42/31/1064654231.db2.gz YXQOANIYUDEYRX-UHFFFAOYSA-N -2 3 382.215 3.764 20 10 GHCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000832900192 601492859 /nfs/dbraw/zinc/49/28/59/601492859.db2.gz SCGVURWOFNYYMK-UHFFFAOYSA-N -2 3 385.388 3.601 20 10 GHCDHL COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1Cl ZINC001197032029 873554914 /nfs/dbraw/zinc/55/49/14/873554914.db2.gz XKJBYWPFYHAIKT-UHFFFAOYSA-N -2 3 390.244 3.595 20 10 GHCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1Br ZINC000776750801 879962764 /nfs/dbraw/zinc/96/27/64/879962764.db2.gz LJSKLNNRVSEKQF-UHFFFAOYSA-N -2 3 376.659 3.917 20 10 GHCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1O[C@H]1C=CCCC1 ZINC001227649269 1032501821 /nfs/dbraw/zinc/50/18/21/1032501821.db2.gz GZIOOQPCIOZXMA-ZDUSSCGKSA-N -2 3 382.368 3.770 20 10 GHCDHL Cc1ccc([C@H](C)Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001229790940 1033717774 /nfs/dbraw/zinc/71/77/74/1033717774.db2.gz LMRNSKLOERQCFQ-LBPRGKRZSA-N -2 3 396.395 3.894 20 10 GHCDHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc(Cl)c2O1 ZINC000808115816 886026593 /nfs/dbraw/zinc/02/65/93/886026593.db2.gz UBVVKRJAEPPWEH-ZETCQYMHSA-N -2 3 392.235 3.962 20 10 GHCDHL O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1[O-] ZINC000775285966 916802286 /nfs/dbraw/zinc/80/22/86/916802286.db2.gz GYMPDOSRYCUUNI-UHFFFAOYSA-N -2 3 396.730 3.773 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)c3cccnc3)c1C2=O ZINC001227993278 1032728433 /nfs/dbraw/zinc/72/84/33/1032728433.db2.gz AGCXXIDRNFPQKI-GFCCVEGCSA-N -2 3 375.380 3.717 20 10 GHCDHL CC[C@H]1CCCC[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785117 1033712038 /nfs/dbraw/zinc/71/20/38/1033712038.db2.gz DVHWIXASIUKQTH-APPDUMDISA-N -2 3 388.416 3.793 20 10 GHCDHL C[C@H]1CC[C@H](Oc2c(=O)c3c([O-])c(O)c([O-])cc3oc2-c2ccc(O)cc2)C1 ZINC001234740269 1040265055 /nfs/dbraw/zinc/26/50/55/1040265055.db2.gz VUUUGMSSDZLIKM-GWCFXTLKSA-N -2 3 384.384 3.850 20 10 GHCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OC3Cc4ccccc4C3)c12 ZINC001234745963 1040272774 /nfs/dbraw/zinc/27/27/74/1040272774.db2.gz FTORQCVNRAKOEF-UHFFFAOYSA-N -2 3 376.364 3.609 20 10 GHCDHL Cc1ccc(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000738621401 600144136 /nfs/dbraw/zinc/14/41/36/600144136.db2.gz HERWHFNPQUEEKV-UHFFFAOYSA-N -2 3 397.258 3.533 20 10 GHCDHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808115317 886028263 /nfs/dbraw/zinc/02/82/63/886028263.db2.gz XJPPPZFZMWEBPM-UHFFFAOYSA-N -3 3 394.207 3.646 20 10 GHCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188242057 915819258 /nfs/dbraw/zinc/81/92/58/915819258.db2.gz FGOSGQPZBBNWGY-UHFFFAOYSA-N -2 3 388.701 3.538 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cc(Br)ccc1Cl ZINC001189750495 916872929 /nfs/dbraw/zinc/87/29/29/916872929.db2.gz USJQKOBTQRHSDH-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1)C(F)(F)F ZINC001227461125 1032428878 /nfs/dbraw/zinc/42/88/78/1032428878.db2.gz NCBSDHBMMLAORZ-ZETCQYMHSA-N -2 3 398.289 3.612 20 10 GHCDHL O=C(Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O)c1cc([O-])cc2[nH]ccc21 ZINC001155959335 1032815557 /nfs/dbraw/zinc/81/55/57/1032815557.db2.gz FLKNONOJYIHFCG-UHFFFAOYSA-N -2 3 398.374 3.607 20 10 GHCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(O[C@H]3C=CCCC3)c12 ZINC001229444305 1033483612 /nfs/dbraw/zinc/48/36/12/1033483612.db2.gz WSLLGBIDCLAWJP-ZDUSSCGKSA-N -2 3 382.368 3.770 20 10 GHCDHL C[C@H]1CCC[C@@H]1Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1 ZINC001234738211 1040263772 /nfs/dbraw/zinc/26/37/72/1040263772.db2.gz YCUILPMLLYKYNO-HZMBPMFUSA-N -2 3 384.384 3.850 20 10 GHCDHL COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc(Cl)c1[O-] ZINC000813684558 891875510 /nfs/dbraw/zinc/87/55/10/891875510.db2.gz RTXCGBDEASPFHH-UHFFFAOYSA-N -2 3 376.623 3.997 20 10 GHCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1ccc(Br)c(Cl)c1 ZINC001189164105 916409445 /nfs/dbraw/zinc/40/94/45/916409445.db2.gz IVHWLGWUFGPLNA-UHFFFAOYSA-N -2 3 398.612 3.887 20 10 GHCDHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc12 ZINC000775286372 916854706 /nfs/dbraw/zinc/85/47/06/916854706.db2.gz RFBWSQBYCYFJCW-UHFFFAOYSA-N -2 3 388.401 3.653 20 10 GHCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)c3nccs3)c1C2=O ZINC001227994051 1032730380 /nfs/dbraw/zinc/73/03/80/1032730380.db2.gz JLMWXYMMGNOUDJ-SNVBAGLBSA-N -2 3 381.409 3.778 20 10 GHCDHL O=C(NCc1cccc(Br)c1[O-])c1ccc(C(F)(F)F)c([O-])c1 ZINC001139975008 1026772379 /nfs/dbraw/zinc/77/23/79/1026772379.db2.gz RFCUBTPTQHLOIM-UHFFFAOYSA-N -2 3 390.155 3.809 20 10 GHCDHL CC(C)C[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC001229786673 1033713667 /nfs/dbraw/zinc/71/36/67/1033713667.db2.gz PCZKLBWHDLOQNO-QGZVFWFLSA-N -2 3 390.432 3.895 20 10 GHCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)c2ccncc12 ZINC001260093204 1045380752 /nfs/dbraw/zinc/38/07/52/1045380752.db2.gz CAJNYWRRLWLAOB-UHFFFAOYSA-N -2 3 393.262 3.812 20 10 GHCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(Oc2cccnc2)cc1 ZINC001188894231 916283156 /nfs/dbraw/zinc/28/31/56/916283156.db2.gz KNTPEWFXYMSZCG-UHFFFAOYSA-N -2 3 378.356 3.659 20 10 GHCDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCC=C(Br)C2)c1[O-] ZINC000799574640 933045223 /nfs/dbraw/zinc/04/52/23/933045223.db2.gz NGVCDLOAGRELKV-UHFFFAOYSA-N -2 3 388.261 3.813 20 10 GHCDHL Cn1ccnc1[C@H]1N(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1(C)C ZINC000840108721 1027202586 /nfs/dbraw/zinc/20/25/86/1027202586.db2.gz RCIRMGFMHSJEHP-OAQYLSRUSA-N -2 3 391.471 3.645 20 10 GHCDHL C[C@@H](Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12)C1CCC1 ZINC001229443362 1033483592 /nfs/dbraw/zinc/48/35/92/1033483592.db2.gz OWLOJGMDKLSYSV-SNVBAGLBSA-N -2 3 384.384 3.850 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1Cl)c1cccc2nsnc21 ZINC001260388036 1045486394 /nfs/dbraw/zinc/48/63/94/1045486394.db2.gz MRHVBIJRBJHWKH-UHFFFAOYSA-N -2 3 376.246 3.505 20 10 GHCDHL Cn1c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc2cc(Cl)ccc21 ZINC000739013791 600314515 /nfs/dbraw/zinc/31/45/15/600314515.db2.gz GTUVXLMZSWZQJL-UHFFFAOYSA-N -2 3 394.258 3.673 20 10 GHCDHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1 ZINC000808114617 886024894 /nfs/dbraw/zinc/02/48/94/886024894.db2.gz CQMSORIXDNCDGE-UHFFFAOYSA-N -2 3 387.816 3.552 20 10 GHCDHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001191305633 917908701 /nfs/dbraw/zinc/90/87/01/917908701.db2.gz FVTKTCAOTZCONR-UHFFFAOYSA-N -2 3 378.194 3.542 20 10 GHCDHL O=C([O-])[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1Br ZINC000756350933 978699174 /nfs/dbraw/zinc/69/91/74/978699174.db2.gz QMVFSOMDQSPFJR-CQSZACIVSA-N -2 3 388.620 3.863 20 10 GHCDHL C[C@H]1CC[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)c(O)c2)C1 ZINC001227460663 1032428573 /nfs/dbraw/zinc/42/85/73/1032428573.db2.gz IXOGASCWOBSZPO-GWCFXTLKSA-N -2 3 384.384 3.850 20 10 GHCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001227650259 1032503078 /nfs/dbraw/zinc/50/30/78/1032503078.db2.gz NKBCCWGXPIUJQN-WVQJBOLRSA-N -2 3 394.379 3.626 20 10 GHCDHL CCCCC[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229785711 1033711973 /nfs/dbraw/zinc/71/19/73/1033711973.db2.gz JDQXSHKHNSOESH-NSHDSACASA-N -2 3 376.405 3.793 20 10 GHCDHL C[C@@H]1CCC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)[C@H]1C ZINC001229792196 1033719717 /nfs/dbraw/zinc/71/97/17/1033719717.db2.gz PUQVEJYWYDFPIQ-VGTOOOLASA-N -2 3 388.416 3.649 20 10 GHCDHL CC(C)(C)Cc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc([O-])c2C3=O)o1 ZINC001257843682 1044216611 /nfs/dbraw/zinc/21/66/11/1044216611.db2.gz LGQVHNBEEGLTFQ-UHFFFAOYSA-N -2 3 378.384 3.512 20 10 GHCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(Oc2ccccn2)cc1 ZINC001260147384 1045397612 /nfs/dbraw/zinc/39/76/12/1045397612.db2.gz YQQXCTANIVTIIO-UHFFFAOYSA-N -2 3 378.356 3.659 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1Cl)c1ccc(Cl)c2nonc21 ZINC001261073198 1045887769 /nfs/dbraw/zinc/88/77/69/1045887769.db2.gz RBTZMPFMYGAYDM-UHFFFAOYSA-N -2 3 394.623 3.689 20 10 GHCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(Br)cc1 ZINC000170269677 860202665 /nfs/dbraw/zinc/20/26/65/860202665.db2.gz IQPVHXBRKYUEFS-UHFFFAOYSA-N -2 3 380.622 3.748 20 10 GHCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc(Cl)c1Cl ZINC000776751883 879983839 /nfs/dbraw/zinc/98/38/39/879983839.db2.gz WAHXQLGDQZCRGB-UHFFFAOYSA-N -3 3 396.635 3.851 20 10 GHCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(OC3CCCCC3)c12 ZINC001229443393 1033483920 /nfs/dbraw/zinc/48/39/20/1033483920.db2.gz PYEGOZOBPRJWIF-UHFFFAOYSA-N -2 3 384.384 3.994 20 10 GHCDHL C[C@H]1C[C@H](Oc2c(O)c([O-])ccc2C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H](C)C1 ZINC001229786600 1033713214 /nfs/dbraw/zinc/71/32/14/1033713214.db2.gz OQWZFRMIBZUTFI-PJXYFTJBSA-N -2 3 388.416 3.649 20 10 GHCDHL C[C@@H]1CC[C@@H](Oc2c(=O)c3c([O-])c(O)c([O-])cc3oc2-c2ccc(O)cc2)C1 ZINC001234740272 1040266847 /nfs/dbraw/zinc/26/68/47/1040266847.db2.gz VUUUGMSSDZLIKM-ZWNOBZJWSA-N -2 3 384.384 3.850 20 10 GHCDHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC001309560570 1050814069 /nfs/dbraw/zinc/81/40/69/1050814069.db2.gz QUBVGTZUHBATAF-UHFFFAOYSA-N -2 3 382.215 3.764 20 10 GHCDHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc(C(=O)[O-])c1Cl ZINC000808113495 886024216 /nfs/dbraw/zinc/02/42/16/886024216.db2.gz AZVWUCVQTWOAOF-UHFFFAOYSA-N -3 3 394.207 3.646 20 10 GHCDHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000773251015 904617828 /nfs/dbraw/zinc/61/78/28/904617828.db2.gz HICXWEMQBOVCRH-UHFFFAOYSA-N -3 3 389.882 3.904 20 10 GHCDHL