smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)(C/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC001595063478 979323339 /nfs/dbraw/zinc/32/33/39/979323339.db2.gz XZADINZSGPPCBJ-LZYBPNLTSA-N -2 3 283.755 3.356 20 30 CGEDHL CC(=NNc1ccccc1C(=O)[O-])c1ccc([O-])cc1F ZINC000729932114 571936957 /nfs/dbraw/zinc/93/69/57/571936957.db2.gz CQOKCIBMKVKMES-UHFFFAOYSA-N -2 3 288.278 3.066 20 30 CGEDHL O=C([O-])N1CCC[C@H](/N=C\c2c([O-])ccc3ccccc32)C1 ZINC000739924165 572427185 /nfs/dbraw/zinc/42/71/85/572427185.db2.gz CMNNEBQQRKOMHR-VQIMKDEXSA-N -2 3 298.342 3.107 20 30 CGEDHL O=C([O-])c1cccc(NN=Cc2cc(Cl)ccc2[O-])c1 ZINC000916255157 624126359 /nfs/dbraw/zinc/12/63/59/624126359.db2.gz GDTIXHYJNLWTKA-UHFFFAOYSA-N -2 3 290.706 3.190 20 30 CGEDHL C/C(=N\[O-])c1ccc(-c2cc(CC(=O)[O-])ccc2F)cc1 ZINC001245322983 803700601 /nfs/dbraw/zinc/70/06/01/803700601.db2.gz SQQIUBPEYSWJOO-VCHYOVAHSA-N -2 3 287.290 3.318 20 30 CGEDHL CCc1oc(C)c(Oc2c([O-])cc(Cl)cc2F)c1[O-] ZINC001234444374 818856380 /nfs/dbraw/zinc/85/63/80/818856380.db2.gz PDWNGCPISHHJIV-JTQLQIEISA-N -2 3 286.686 3.173 20 30 CGEDHL C=CC[C@@H](CCC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972536 932063257 /nfs/dbraw/zinc/06/32/57/932063257.db2.gz XUUXVTOWZDBBGH-JTQLQIEISA-N -2 3 267.281 3.130 20 30 CGEDHL Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)ccc1[O-] ZINC000077166045 599864738 /nfs/dbraw/zinc/86/47/38/599864738.db2.gz KTJFELKTRIUGFZ-XBXARRHUSA-N -2 3 282.295 3.295 20 30 CGEDHL N#Cc1ccc([O-])c(Nc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001248557364 804951145 /nfs/dbraw/zinc/95/11/45/804951145.db2.gz NQQZBSVKWLVXBA-UHFFFAOYSA-N -2 3 288.690 3.359 20 30 CGEDHL C#C[C@H](OCCCCP(=O)([O-])[O-])[C@@H](CC)CCCC ZINC001225019774 816934867 /nfs/dbraw/zinc/93/48/67/816934867.db2.gz AMXZDWZFELNYRP-KBPBESRZSA-N -2 3 290.340 3.179 20 30 CGEDHL O=C(/C=C/c1ccc(F)cc1F)c1ccc([O-])cc1[O-] ZINC000027519700 368871673 /nfs/dbraw/zinc/87/16/73/368871673.db2.gz JQBFSNVYXXXQLY-QHHAFSJGSA-N -2 3 276.238 3.272 20 30 CGEDHL O=C([O-])N1CCC[C@@H]1C/N=C/c1c([O-])ccc2ccccc21 ZINC000740518344 572444435 /nfs/dbraw/zinc/44/44/35/572444435.db2.gz DWKVIKFCEUJXQZ-VBEHJTROSA-N -2 3 298.342 3.107 20 30 CGEDHL Cc1ccc(/C=C\C(=O)c2ccc([O-])cc2[O-])cc1[N+](=O)[O-] ZINC000255633250 618769408 /nfs/dbraw/zinc/76/94/08/618769408.db2.gz MYZXGWMCJZGBFQ-DAXSKMNVSA-N -2 3 299.282 3.211 20 30 CGEDHL O=C(C=Cc1ccc([O-])c(F)c1)c1sccc1[O-] ZINC000588599202 799719873 /nfs/dbraw/zinc/71/98/73/799719873.db2.gz SCKNFAJHEFZDKD-RQOWECAXSA-N -2 3 264.277 3.195 20 30 CGEDHL CC(C)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c([O-])c1 ZINC001137932854 803800372 /nfs/dbraw/zinc/80/03/72/803800372.db2.gz MGULDNWZOGUOEP-UHFFFAOYSA-N -2 3 296.326 3.345 20 30 CGEDHL Cc1noc([N-]c2c(F)ccc([O-])c2Cl)c1C#N ZINC001250228243 805504648 /nfs/dbraw/zinc/50/46/48/805504648.db2.gz SDTBVVVYKWPBJK-UHFFFAOYSA-N -2 3 267.647 3.096 20 30 CGEDHL N#Cc1ccc([O-])c(Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001213632127 815314335 /nfs/dbraw/zinc/31/43/35/815314335.db2.gz WVBUISXTUADSIR-UHFFFAOYSA-N -2 3 282.299 3.025 20 30 CGEDHL C=C[C@H](CCCCCC)OCCCCP(=O)([O-])[O-] ZINC001225019183 816933857 /nfs/dbraw/zinc/93/38/57/816933857.db2.gz UJZWNYLOWKEDLA-CYBMUJFWSA-N -2 3 278.329 3.486 20 30 CGEDHL O=C([O-])c1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1F ZINC001241246672 821668092 /nfs/dbraw/zinc/66/80/92/821668092.db2.gz ATMSRJROIJUEGU-REZTVBANSA-N -2 3 277.226 3.138 20 30 CGEDHL CCc1oc(C)c([O-])c1Oc1cc(Cl)ccc1[O-] ZINC001229546278 932169945 /nfs/dbraw/zinc/16/99/45/932169945.db2.gz DYUQYWSBNCHNAC-SSDOTTSWSA-N -2 3 268.696 3.034 20 30 CGEDHL [O-]/N=C/c1ccc(F)c(-c2cc(F)c([O-])cc2F)c1 ZINC001211359636 814886164 /nfs/dbraw/zinc/88/61/64/814886164.db2.gz JTRLWQCEBJSJNI-UBKPWBPPSA-N -2 3 267.206 3.285 20 30 CGEDHL [O-]/N=C/c1ccc(F)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243340765 823354388 /nfs/dbraw/zinc/35/43/88/823354388.db2.gz HLZCAKWTCTYHGE-UBKPWBPPSA-N -2 3 267.206 3.285 20 30 CGEDHL C/C(=N\[O-])c1ccc(-c2cccc(C(=O)[O-])c2F)cc1 ZINC001242381778 822975356 /nfs/dbraw/zinc/97/53/56/822975356.db2.gz GNWDOWDXKJKWMG-RQZCQDPDSA-N -2 3 273.263 3.389 20 30 CGEDHL Cc1cc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])ccc1[O-] ZINC000772807170 627824561 /nfs/dbraw/zinc/82/45/61/627824561.db2.gz PWLFCTHGRHAYCJ-FARCUNLSSA-N -2 3 299.282 3.211 20 30 CGEDHL N#Cc1c([O-])csc1Nc1ccc(Cl)c([O-])c1 ZINC001212589518 815078051 /nfs/dbraw/zinc/07/80/51/815078051.db2.gz PQSAYCWSRNXFLQ-UHFFFAOYSA-N -2 3 266.709 3.428 20 30 CGEDHL C#C[C@H](OCCCCP(=O)([O-])[O-])[C@H](CC)CCCC ZINC001225019778 816933664 /nfs/dbraw/zinc/93/36/64/816933664.db2.gz AMXZDWZFELNYRP-KGLIPLIRSA-N -2 3 290.340 3.179 20 30 CGEDHL Cc1cc(Nc2cc(C#N)ccc2[O-])cc(C(=O)[O-])c1 ZINC001211544931 814904666 /nfs/dbraw/zinc/90/46/66/814904666.db2.gz OYYPNFWCCBGLRQ-UHFFFAOYSA-N -2 3 268.272 3.014 20 30 CGEDHL C#C[C@@H](OCCCCP(=O)([O-])[O-])[C@H](CC)CCCC ZINC001225019783 816934317 /nfs/dbraw/zinc/93/43/17/816934317.db2.gz AMXZDWZFELNYRP-ZIAGYGMSSA-N -2 3 290.340 3.179 20 30 CGEDHL O=C([O-])/C=C/c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001240551540 821137879 /nfs/dbraw/zinc/13/78/79/821137879.db2.gz VXXINXGRUXFXTO-UOMISXDJSA-N -2 3 285.274 3.399 20 30 CGEDHL CCc1oc(C)c([O-])c1Oc1cc(Cl)ccc1[O-] ZINC001229546281 932170162 /nfs/dbraw/zinc/17/01/62/932170162.db2.gz DYUQYWSBNCHNAC-ZETCQYMHSA-N -2 3 268.696 3.034 20 30 CGEDHL CC(=NNc1cccc(C(=O)[O-])c1)c1ccc([O-])c(F)c1 ZINC000728427059 571805455 /nfs/dbraw/zinc/80/54/55/571805455.db2.gz GYZQDSOWIZTSSV-UHFFFAOYSA-N -2 3 288.278 3.066 20 30 CGEDHL Cc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)c([O-])c1 ZINC000755599093 626631295 /nfs/dbraw/zinc/63/12/95/626631295.db2.gz OWDGQJIOOMNLQT-UTCJRWHESA-N -2 3 272.275 3.441 20 30 CGEDHL COc1cccc([O-])c1C=Nc1ccc(NC(=O)[O-])cc1 ZINC000739952273 572428094 /nfs/dbraw/zinc/42/80/94/572428094.db2.gz LDZHBUDHTGDJTP-UHFFFAOYSA-N -2 3 286.287 3.241 20 30 CGEDHL CC(C)(C(=O)[O-])c1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000736230124 572774929 /nfs/dbraw/zinc/77/49/29/572774929.db2.gz BPMGTIZIRFKZJX-UHFFFAOYSA-N -2 3 299.326 3.211 20 30 CGEDHL CC(=NNc1ccccc1C(=O)[O-])c1cc(F)ccc1[O-] ZINC000812442278 605101125 /nfs/dbraw/zinc/10/11/25/605101125.db2.gz XBOSBRJGIRJQQU-UHFFFAOYSA-N -2 3 288.278 3.066 20 30 CGEDHL N#Cc1cc(/C=C/C(=O)c2ccc([O-])cc2[O-])ccc1F ZINC000770572907 627627434 /nfs/dbraw/zinc/62/74/34/627627434.db2.gz ULQQPGLDNCKUOZ-QHHAFSJGSA-N -2 3 283.258 3.005 20 30 CGEDHL CCc1oc(C)c([O-])c1Oc1cccc2oc(=S)[n-]c21 ZINC001231065548 932670105 /nfs/dbraw/zinc/67/01/05/932670105.db2.gz NQNSVXKJBBATNJ-SSDOTTSWSA-N -2 3 291.328 3.105 20 30 CGEDHL O=C([O-])Nc1cc(N=Cc2ccccc2[O-])ccc1F ZINC000740003672 572428103 /nfs/dbraw/zinc/42/81/03/572428103.db2.gz RXJCQCMNGJWHIF-UHFFFAOYSA-N -2 3 274.251 3.372 20 30 CGEDHL Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001241003531 821482141 /nfs/dbraw/zinc/48/21/41/821482141.db2.gz RYICPGIZVCYINX-CAOOACKPSA-N -2 3 273.263 3.307 20 30 CGEDHL O=C(/C=C/c1c(F)ccc([O-])c1F)c1cc(F)ccc1[O-] ZINC000794941020 629603450 /nfs/dbraw/zinc/60/34/50/629603450.db2.gz IOPWQXJINTXCPL-GORDUTHDSA-N -2 3 294.228 3.411 20 30 CGEDHL O=C([O-])c1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(F)c1 ZINC001239267075 820247906 /nfs/dbraw/zinc/24/79/06/820247906.db2.gz QKHOUZRCEJEYGP-SDXDJHTJSA-N -2 3 285.274 3.315 20 30 CGEDHL O=C(C=Cc1ccc([O-])c(F)c1)c1sccc1[O-] ZINC000193147401 640435740 /nfs/dbraw/zinc/43/57/40/640435740.db2.gz SCKNFAJHEFZDKD-DUXPYHPUSA-N -2 3 264.277 3.195 20 30 CGEDHL O=C1c2ccc([O-])cc2C/C1=C/c1cc(F)c([O-])c(F)c1 ZINC000588535151 799706791 /nfs/dbraw/zinc/70/67/91/799706791.db2.gz QEHXOWXWWKYWDQ-KMKOMSMNSA-N -2 3 288.249 3.198 20 30 CGEDHL O=C([O-])c1cc(-c2ccc(/C=N/[O-])c(F)c2)cs1 ZINC001206299025 813278093 /nfs/dbraw/zinc/27/80/93/813278093.db2.gz ZFKCFYFMESWLBN-LHHJGKSTSA-N -2 3 265.265 3.061 20 30 CGEDHL O=C([O-])NC1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000740553001 572446307 /nfs/dbraw/zinc/44/63/07/572446307.db2.gz OCUMBFPLFTXIQM-LZYBPNLTSA-N -2 3 296.754 3.043 20 30 CGEDHL O=C([O-])CC[C@@H](/N=C/c1ccccc1[O-])c1ccccc1 ZINC000739659180 572422177 /nfs/dbraw/zinc/42/21/77/572422177.db2.gz JXEOGDCOJGGLSC-GYZOOYGHSA-N -2 3 283.327 3.417 20 30 CGEDHL O=C([O-])c1ccccc1NN=Cc1c([O-])cccc1Cl ZINC000755599648 626631160 /nfs/dbraw/zinc/63/11/60/626631160.db2.gz DIXBXGKLUAUOFU-UHFFFAOYSA-N -2 3 290.706 3.190 20 30 CGEDHL O=C1c2ccc([O-])cc2O/C1=C/c1ccc([O-])c(Cl)c1 ZINC000214127087 799133830 /nfs/dbraw/zinc/13/38/30/799133830.db2.gz RBVARNPXGXGQSB-MKMNVTDBSA-N -2 3 288.686 3.367 20 30 CGEDHL O=C([O-])c1sccc1-c1cc(/C=N/[O-])ccc1F ZINC001205605490 813021473 /nfs/dbraw/zinc/02/14/73/813021473.db2.gz KMIZRWXYTCAICL-MKMNVTDBSA-N -2 3 265.265 3.061 20 30 CGEDHL C=C(C)[C@@H]1CC=C(C)[C@@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225023302 816934922 /nfs/dbraw/zinc/93/49/22/816934922.db2.gz XCJSKIWIDONSEQ-KGLIPLIRSA-N -2 3 288.324 3.262 20 30 CGEDHL O=C([O-])Nc1cc(N=Cc2cccc([O-])c2O)ccc1F ZINC000740003710 572427954 /nfs/dbraw/zinc/42/79/54/572427954.db2.gz SOFFRCLKUGMJCA-UHFFFAOYSA-N -2 3 290.250 3.077 20 30 CGEDHL O=C([O-])NC1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000740553002 572446312 /nfs/dbraw/zinc/44/63/12/572446312.db2.gz OCUMBFPLFTXIQM-PXNMLYILSA-N -2 3 296.754 3.043 20 30 CGEDHL O=C(/C=C\c1ccc([O-])c(F)c1)c1ccccc1[O-] ZINC000255691023 618777795 /nfs/dbraw/zinc/77/77/95/618777795.db2.gz QABOFTWPSHOKLS-ALCCZGGFSA-N -2 3 258.248 3.133 20 30 CGEDHL O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc([O-])c(F)c1 ZINC000794934709 629602301 /nfs/dbraw/zinc/60/23/01/629602301.db2.gz MPMDCVVYSMFXMQ-DJWKRKHSSA-N -2 3 294.228 3.411 20 30 CGEDHL CCOc1ccc(C(=O)[O-])cc1Nc1cc(C#N)ccc1[O-] ZINC001214274742 815393585 /nfs/dbraw/zinc/39/35/85/815393585.db2.gz GPPVPVHGDLZJDU-UHFFFAOYSA-N -2 3 298.298 3.104 20 30 CGEDHL Cc1ccc(Nc2cc(C#N)ccc2[O-])cc1C(=O)[O-] ZINC001211604254 814917192 /nfs/dbraw/zinc/91/71/92/814917192.db2.gz XCCLAZBVDXBDAP-UHFFFAOYSA-N -2 3 268.272 3.014 20 30 CGEDHL Cc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1C(=O)[O-] ZINC001243195402 823284826 /nfs/dbraw/zinc/28/48/26/823284826.db2.gz PCOYNTNASBRFBE-CAOOACKPSA-N -2 3 273.263 3.307 20 30 CGEDHL COc1cc(C(=O)[O-])ccc1-c1cc(/C=N/[O-])ccc1F ZINC001240736343 821289004 /nfs/dbraw/zinc/28/90/04/821289004.db2.gz AYRBVEYWBKFOQN-CAOOACKPSA-N -2 3 289.262 3.008 20 30 CGEDHL CN(C)c1ccc(/C=C/C(=O)c2ccc([O-])cc2[O-])cc1 ZINC000005173700 170073568 /nfs/dbraw/zinc/07/35/68/170073568.db2.gz NEWRHJWDQQDMSN-BJMVGYQFSA-N -2 3 283.327 3.060 20 30 CGEDHL O=C([O-])CC[C@@H](/N=C\c1ccccc1[O-])c1ccccc1 ZINC000739659182 571947237 /nfs/dbraw/zinc/94/72/37/571947237.db2.gz JXEOGDCOJGGLSC-PWDRBQJJSA-N -2 3 283.327 3.417 20 30 CGEDHL CCCCC[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000829312660 601365883 /nfs/dbraw/zinc/36/58/83/601365883.db2.gz YGHBNAIEFFNMFH-DZZSIBQASA-N -2 3 283.755 3.498 20 30 CGEDHL O=C([O-])c1ccccc1NN=Cc1cc(Cl)ccc1[O-] ZINC000812444672 631261232 /nfs/dbraw/zinc/26/12/32/631261232.db2.gz LCPPNDKRJBCWRY-UHFFFAOYSA-N -2 3 290.706 3.190 20 30 CGEDHL [O-]/N=C/c1ccc(F)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243506110 823424088 /nfs/dbraw/zinc/42/40/88/823424088.db2.gz PQIQOQNABYYYRZ-UBKPWBPPSA-N -2 3 267.206 3.285 20 30 CGEDHL N#Cc1ccc([O-])c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175319761 809354061 /nfs/dbraw/zinc/35/40/61/809354061.db2.gz DLCOPKKUZFZGHK-UHFFFAOYSA-N -2 3 288.690 3.359 20 30 CGEDHL N#Cc1ccc([O-])c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672978 809740999 /nfs/dbraw/zinc/74/09/99/809740999.db2.gz ONUKXGJJULXOMV-UHFFFAOYSA-N -2 3 280.205 3.130 20 30 CGEDHL CCCCCCCC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224600928 816832131 /nfs/dbraw/zinc/83/21/31/816832131.db2.gz BWMWTFXAMGSKMN-LBPRGKRZSA-N -2 3 266.318 3.320 20 30 CGEDHL C=C[C@H](C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306859 817622512 /nfs/dbraw/zinc/62/25/12/817622512.db2.gz ODLMWWNQAQTMIR-VIFPVBQESA-N -2 3 298.294 3.311 20 30 CGEDHL O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc(O)cc1[O-] ZINC000254988146 617717566 /nfs/dbraw/zinc/71/75/66/617717566.db2.gz ROHDVIDCQSNCQQ-KTAJNNJTSA-N -2 3 290.702 3.353 20 30 CGEDHL N#Cc1ccc([O-])c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249963623 805331554 /nfs/dbraw/zinc/33/15/54/805331554.db2.gz QKAOKAKOBREWKC-UHFFFAOYSA-N -2 3 280.205 3.130 20 30 CGEDHL [O-]/N=C1/CCc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211360251 814886718 /nfs/dbraw/zinc/88/67/18/814886718.db2.gz QGLHCUHKPNCAAA-JXAWBTAJSA-N -2 3 275.254 3.462 20 30 CGEDHL O=C([O-])NC[C@@H](/N=C\c1ccccc1[O-])C1CCCCC1 ZINC000740598942 572447855 /nfs/dbraw/zinc/44/78/55/572447855.db2.gz XHVNVGQAOUQZNK-AYCSXLNKSA-N -2 3 290.363 3.028 20 30 CGEDHL Cc1ccc(/C=C/C(=O)c2ccc([O-])cc2[O-])cc1[N+](=O)[O-] ZINC000156627220 622831140 /nfs/dbraw/zinc/83/11/40/622831140.db2.gz MYZXGWMCJZGBFQ-QPJJXVBHSA-N -2 3 299.282 3.211 20 30 CGEDHL O=C(C=Cc1c(F)ccc([O-])c1F)c1sccc1[O-] ZINC000794944427 629603961 /nfs/dbraw/zinc/60/39/61/629603961.db2.gz GRJWHULACLFBPB-HNQUOIGGSA-N -2 3 282.267 3.334 20 30 CGEDHL C#C[C@@H](OCCCCP(=O)([O-])[O-])[C@@H](CC)CCCC ZINC001225019780 816934240 /nfs/dbraw/zinc/93/42/40/816934240.db2.gz AMXZDWZFELNYRP-UONOGXRCSA-N -2 3 290.340 3.179 20 30 CGEDHL Cc1cc(C(=O)[O-])cc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001243176431 823273695 /nfs/dbraw/zinc/27/36/95/823273695.db2.gz BPTRVFSGFCTKQW-CAOOACKPSA-N -2 3 273.263 3.307 20 30 CGEDHL O=C([O-])c1ccc(-c2cc(/C=N/[O-])ccc2F)s1 ZINC001240848443 821369987 /nfs/dbraw/zinc/36/99/87/821369987.db2.gz ZRMTXHUEUCSSDR-MKMNVTDBSA-N -2 3 265.265 3.061 20 30 CGEDHL C=C[C@@H](C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306858 817622990 /nfs/dbraw/zinc/62/29/90/817622990.db2.gz ODLMWWNQAQTMIR-SECBINFHSA-N -2 3 298.294 3.311 20 30 CGEDHL [O-]/N=C1/CCc2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244096394 803183616 /nfs/dbraw/zinc/18/36/16/803183616.db2.gz LMPJDQYCQNVPRG-JXAWBTAJSA-N -2 3 275.254 3.462 20 30 CGEDHL O=C([O-])C1(C/N=C/c2cc(Cl)ccc2[O-])CCCC1 ZINC000833173554 601366239 /nfs/dbraw/zinc/36/62/39/601366239.db2.gz CQGLDVGRFOLOCV-LZYBPNLTSA-N -2 3 281.739 3.110 20 30 CGEDHL N#Cc1c([O-])csc1Nc1c(F)ccc([O-])c1F ZINC001175264053 809329939 /nfs/dbraw/zinc/32/99/39/809329939.db2.gz QWGOECASIFPWKY-UHFFFAOYSA-N -2 3 268.244 3.053 20 30 CGEDHL 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CGEDHL N#Cc1ccc([O-])c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176589693 809725337 /nfs/dbraw/zinc/72/53/37/809725337.db2.gz JKVWRVITZAIGJY-UHFFFAOYSA-N -2 3 294.310 3.124 20 30 CGEDHL Cc1oc(C)c(Oc2cc(Cl)c(Cl)cc2[O-])c1[O-] ZINC001229556470 927351388 /nfs/dbraw/zinc/35/13/88/927351388.db2.gz XQKRWSCGXYGMAL-RXMQYKEDSA-N -2 3 289.114 3.297 20 30 CGEDHL CCOc1ccc(C=Nc2cccc(CC(=O)[O-])c2)c([O-])c1 ZINC000737886635 572362403 /nfs/dbraw/zinc/36/24/03/572362403.db2.gz CORKAPJKASHHGZ-UHFFFAOYSA-N -2 3 299.326 3.169 20 30 CGEDHL Cc1noc([N-]c2c(Cl)ccc([O-])c2F)c1C#N ZINC001214553841 815422437 /nfs/dbraw/zinc/42/24/37/815422437.db2.gz BZZATXXLNKHRHG-UHFFFAOYSA-N -2 3 267.647 3.096 20 30 CGEDHL [O-]/N=C/c1ccc(-c2c(F)ccc([O-])c2F)cc1F ZINC001241293857 821712074 /nfs/dbraw/zinc/71/20/74/821712074.db2.gz CUKRCODNZVUIEM-UBKPWBPPSA-N -2 3 267.206 3.285 20 30 CGEDHL C=C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001228972728 932063378 /nfs/dbraw/zinc/06/33/78/932063378.db2.gz CXJNLCBTTOYYGG-ZDUSSCGKSA-N -2 3 287.271 3.312 20 30 CGEDHL O=C(/C=C/c1cc(F)cc(F)c1)c1ccc([O-])cc1[O-] ZINC000095572146 185010282 /nfs/dbraw/zinc/01/02/82/185010282.db2.gz LHTJCEJXRYTIIW-DAFODLJHSA-N -2 3 276.238 3.272 20 30 CGEDHL Cc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)c([O-])c1 ZINC000755599095 626631114 /nfs/dbraw/zinc/63/11/14/626631114.db2.gz OWDGQJIOOMNLQT-ZZXKWVIFSA-N -2 3 272.275 3.441 20 30 CGEDHL Cc1cc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)ccc1[O-] ZINC000809154368 800413844 /nfs/dbraw/zinc/41/38/44/800413844.db2.gz UCROFSNXGSSIKS-DJWKRKHSSA-N -2 3 298.294 3.001 20 30 CGEDHL CC(=NNc1cccc(C(=O)[O-])c1)c1ccc([O-])cc1F ZINC000729931884 571937311 /nfs/dbraw/zinc/93/73/11/571937311.db2.gz YHMAGNOJKNOJDS-UHFFFAOYSA-N -2 3 288.278 3.066 20 30 CGEDHL O=C([O-])c1cc(Cl)cc(N=Cc2ccccc2[O-])c1 ZINC000740074114 572431036 /nfs/dbraw/zinc/43/10/36/572431036.db2.gz IFQYRJMUQUYGKB-UHFFFAOYSA-N -2 3 275.691 3.494 20 30 CGEDHL O=C([O-])N1CCC[C@H]1C/N=C/c1c([O-])ccc2ccccc21 ZINC000740518332 572444627 /nfs/dbraw/zinc/44/46/27/572444627.db2.gz DWKVIKFCEUJXQZ-FHXOWUIVSA-N -2 3 298.342 3.107 20 30 CGEDHL COc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)c([O-])c1 ZINC000121324945 626194025 /nfs/dbraw/zinc/19/40/25/626194025.db2.gz RVJHSBPSNATWEX-QHHAFSJGSA-N -2 3 288.274 3.142 20 30 CGEDHL [O-]/N=C/c1ccc(F)c(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244097871 803185391 /nfs/dbraw/zinc/18/53/91/803185391.db2.gz SOMMXNDFPOLEKU-UBKPWBPPSA-N -2 3 267.206 3.285 20 30 CGEDHL N#Cc1c([O-])csc1Nc1cc(F)c([O-])cc1F ZINC001215571605 815537150 /nfs/dbraw/zinc/53/71/50/815537150.db2.gz FLZKBARCKBKZGJ-UHFFFAOYSA-N -2 3 268.244 3.053 20 30 CGEDHL C=C(C)C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(=C)C ZINC001228972963 932063509 /nfs/dbraw/zinc/06/35/09/932063509.db2.gz FPAYCTAJICFDSW-LBPRGKRZSA-N -2 3 279.292 3.296 20 30 CGEDHL CC(C)C[C@H](C/N=C\c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000736404043 600816490 /nfs/dbraw/zinc/81/64/90/600816490.db2.gz OHYUDQXGACLUOK-CRZGJZTJSA-N -2 3 283.755 3.211 20 30 CGEDHL COc1ccc([O-])c(C(=O)/C=C\c2ccc([O-])c(F)c2)c1 ZINC000255864354 618809742 /nfs/dbraw/zinc/80/97/42/618809742.db2.gz ULROPYFTZRDWLO-DJWKRKHSSA-N -2 3 288.274 3.142 20 30 CGEDHL C=C[C@H](CCCCCCC)OCCP(=O)([O-])[O-] ZINC001224601712 816831738 /nfs/dbraw/zinc/83/17/38/816831738.db2.gz JYOBFIFIYTWJHZ-GFCCVEGCSA-N -2 3 264.302 3.096 20 30 CGEDHL O=C([O-])N1CCC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000739924163 572427028 /nfs/dbraw/zinc/42/70/28/572427028.db2.gz CMNNEBQQRKOMHR-SGPNVBEDSA-N -2 3 298.342 3.107 20 30 CGEDHL O=C([O-])c1ccc(C/N=C\c2c([O-])ccc3ccccc32)o1 ZINC000740125513 572433214 /nfs/dbraw/zinc/43/32/14/572433214.db2.gz ITJSURDSBBXROV-ZDLGFXPLSA-N -2 3 295.294 3.456 20 30 CGEDHL O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(F)cc1[O-] ZINC000255414481 618403795 /nfs/dbraw/zinc/40/37/95/618403795.db2.gz KAJQZPUMWAAGII-KTAJNNJTSA-N -2 3 276.238 3.272 20 30 CGEDHL O=C([O-])C[C@@H](/N=C\c1ccccc1[O-])c1ccccc1 ZINC000739627721 572421302 /nfs/dbraw/zinc/42/13/02/572421302.db2.gz ZELBAWBPWNVTPJ-RQNDZEIBSA-N -2 3 269.300 3.027 20 30 CGEDHL O=C([O-])N1CCC[C@@H]1C/N=C\c1c([O-])ccc2ccccc21 ZINC000740518338 572444575 /nfs/dbraw/zinc/44/45/75/572444575.db2.gz DWKVIKFCEUJXQZ-NCUBORBFSA-N -2 3 298.342 3.107 20 30 CGEDHL O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cc(O)ccc1[O-] ZINC000156652386 622831567 /nfs/dbraw/zinc/83/15/67/622831567.db2.gz KCDNWPDVUVFEMN-DAFODLJHSA-N -2 3 290.702 3.353 20 30 CGEDHL Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001245301508 803696300 /nfs/dbraw/zinc/69/63/00/803696300.db2.gz UXFSFQISCFTJFF-CAOOACKPSA-N -2 3 273.263 3.307 20 30 CGEDHL N#Cc1c([O-])csc1Nc1cccc(Cl)c1[O-] ZINC001210220498 814348257 /nfs/dbraw/zinc/34/82/57/814348257.db2.gz YBQKUBWTUQPBKY-UHFFFAOYSA-N -2 3 266.709 3.428 20 30 CGEDHL Cc1cc(-c2cc(/C=N/[O-])ccc2F)ccc1C(=O)[O-] ZINC001243215471 823296365 /nfs/dbraw/zinc/29/63/65/823296365.db2.gz QSXPLZKDUQKQCG-CAOOACKPSA-N -2 3 273.263 3.307 20 30 CGEDHL CCCCC[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000829312661 601365752 /nfs/dbraw/zinc/36/57/52/601365752.db2.gz YGHBNAIEFFNMFH-GFQQVXNGSA-N -2 3 283.755 3.498 20 30 CGEDHL Cc1cc(C(=O)[O-])cc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001243177542 823274811 /nfs/dbraw/zinc/27/48/11/823274811.db2.gz JXXUPIKGPDQSOM-CAOOACKPSA-N -2 3 273.263 3.307 20 30 CGEDHL CC(=NNc1ccccc1C(=O)[O-])c1ccc([O-])c(F)c1 ZINC000728426296 571804883 /nfs/dbraw/zinc/80/48/83/571804883.db2.gz YYKPPWLHZBUNHY-UHFFFAOYSA-N -2 3 288.278 3.066 20 30 CGEDHL O=C(/C=C/c1ccc([O-])c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000755598095 626631104 /nfs/dbraw/zinc/63/11/04/626631104.db2.gz CNHQZFWTXWWLDY-HNQUOIGGSA-N -2 3 294.228 3.411 20 30 CGEDHL C=C[C@H](CCCCC)OCCCCP(=O)([O-])[O-] ZINC001225023217 816934445 /nfs/dbraw/zinc/93/44/45/816934445.db2.gz WCNIHWYOWORFTH-GFCCVEGCSA-N -2 3 264.302 3.096 20 30 CGEDHL [O-]/N=C/c1ccc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241121623 821577702 /nfs/dbraw/zinc/57/77/02/821577702.db2.gz OKIQQEQSBQNRHJ-UBKPWBPPSA-N -2 3 267.206 3.285 20 30 CGEDHL O=C([O-])c1cc(F)cc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001241835167 822170616 /nfs/dbraw/zinc/17/06/16/822170616.db2.gz DAAKXJBDCLKQLN-SDXDJHTJSA-N -2 3 285.274 3.315 20 30 CGEDHL O=C([O-])C[C@H](/N=C\c1ccccc1[O-])c1ccccc1 ZINC000739627717 572421246 /nfs/dbraw/zinc/42/12/46/572421246.db2.gz ZELBAWBPWNVTPJ-FMNVXAMXSA-N -2 3 269.300 3.027 20 30 CGEDHL O=C1c2ccc([O-])cc2C/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000187220750 626173474 /nfs/dbraw/zinc/17/34/74/626173474.db2.gz QEHXOWXWWKYWDQ-XCVCLJGOSA-N -2 3 288.249 3.198 20 30 CGEDHL O=C([O-])C1(c2ccc(-c3ccc(/C=N/[O-])c(F)c3)cc2)CC1 ZINC001222694445 816501374 /nfs/dbraw/zinc/50/13/74/816501374.db2.gz NMKTWSGGSXRUAD-VXLYETTFSA-N -2 3 299.301 3.417 20 30 CGEDHL O=C([O-])c1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000585668014 601844958 /nfs/dbraw/zinc/84/49/58/601844958.db2.gz MAVATRAZBBDDAD-RQZCQDPDSA-N -2 3 289.718 3.363 20 30 CGEDHL O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc(O)cc1[O-] ZINC000156630394 622831813 /nfs/dbraw/zinc/83/18/13/622831813.db2.gz ROHDVIDCQSNCQQ-ORCRQEGFSA-N -2 3 290.702 3.353 20 30 CGEDHL C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225019244 816934301 /nfs/dbraw/zinc/93/43/01/816934301.db2.gz VFGVKAGHDJIYMM-HZSPNIEDSA-N -2 3 290.340 3.342 20 30 CGEDHL COc1cc(-c2cc(/C=N/[O-])ccc2F)ccc1C(=O)[O-] ZINC001240745895 821296771 /nfs/dbraw/zinc/29/67/71/821296771.db2.gz NJDBMBNRDKKZLI-CAOOACKPSA-N -2 3 289.262 3.008 20 30 CGEDHL CCCCCCC[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224602111 816831426 /nfs/dbraw/zinc/83/14/26/816831426.db2.gz OFXIISPFSYGIJT-GFCCVEGCSA-N -2 3 266.318 3.320 20 30 CGEDHL O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc([O-])cc1 ZINC000255862942 618807785 /nfs/dbraw/zinc/80/77/85/618807785.db2.gz DSNRKLACNSJVQA-BHQIHCQQSA-N -2 3 276.238 3.272 20 30 CGEDHL Cc1cc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])ccc1[O-] ZINC000772807174 627824656 /nfs/dbraw/zinc/82/46/56/627824656.db2.gz PWLFCTHGRHAYCJ-UQCOIBPSSA-N -2 3 299.282 3.211 20 30 CGEDHL N#Cc1ccc([O-])c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211967039 814963000 /nfs/dbraw/zinc/96/30/00/814963000.db2.gz SHQPOLYMPOJOLI-UHFFFAOYSA-N -2 3 288.690 3.359 20 30 CGEDHL CCc1oc(C)c([O-])c1Oc1c([O-])cccc1Cl ZINC001229117285 927322413 /nfs/dbraw/zinc/32/24/13/927322413.db2.gz JNGFSFOPTJPHFY-ZETCQYMHSA-N -2 3 268.696 3.034 20 30 CGEDHL O=C([O-])NC[C@H](/N=C\c1ccccc1[O-])C1CCCCC1 ZINC000740598947 571832015 /nfs/dbraw/zinc/83/20/15/571832015.db2.gz XHVNVGQAOUQZNK-XGHPXPSOSA-N -2 3 290.363 3.028 20 30 CGEDHL CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc([O-])cc1F ZINC000729931630 571937335 /nfs/dbraw/zinc/93/73/35/571937335.db2.gz PKXUEBPUKCPNKM-UHFFFAOYSA-N -2 3 288.278 3.066 20 30 CGEDHL O=C([O-])NC[C@H](/N=C/c1ccccc1[O-])C1CCCCC1 ZINC000740598943 572447925 /nfs/dbraw/zinc/44/79/25/572447925.db2.gz XHVNVGQAOUQZNK-FBJMNJBLSA-N -2 3 290.363 3.028 20 30 CGEDHL O=C(/C=C/c1ccc([O-])c(F)c1)c1ccccc1[O-] ZINC000121323172 626188456 /nfs/dbraw/zinc/18/84/56/626188456.db2.gz QABOFTWPSHOKLS-FNORWQNLSA-N -2 3 258.248 3.133 20 30 CGEDHL O=C(C=Cc1c(F)ccc([O-])c1F)c1sccc1[O-] ZINC000794944428 629604292 /nfs/dbraw/zinc/60/42/92/629604292.db2.gz GRJWHULACLFBPB-IWQZZHSRSA-N -2 3 282.267 3.334 20 30 CGEDHL Cc1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)ccc1[O-] ZINC000113709202 638265180 /nfs/dbraw/zinc/26/51/80/638265180.db2.gz AOOXIQSIZLEEQQ-ALCCZGGFSA-N -2 3 282.295 3.295 20 30 CGEDHL CCCCCCCC[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939390 818736118 /nfs/dbraw/zinc/73/61/18/818736118.db2.gz JFILYLPVICSKOL-NSHDSACASA-N -2 3 292.383 3.164 20 30 CGEDHL CCc1oc(C)c([O-])c1Oc1c([O-])cccc1Cl ZINC001229117283 932097759 /nfs/dbraw/zinc/09/77/59/932097759.db2.gz JNGFSFOPTJPHFY-SSDOTTSWSA-N -2 3 268.696 3.034 20 30 CGEDHL O=C([O-])C1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000739560532 572420163 /nfs/dbraw/zinc/42/01/63/572420163.db2.gz OXTXHGNTXUWMBZ-LZYBPNLTSA-N -2 3 281.739 3.108 20 30 CGEDHL O=C([O-])c1ccc(C/N=C/c2c([O-])ccc3ccccc32)o1 ZINC000740125512 572433121 /nfs/dbraw/zinc/43/31/21/572433121.db2.gz ITJSURDSBBXROV-VCHYOVAHSA-N -2 3 295.294 3.456 20 30 CGEDHL O=C([O-])CCc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001244192092 803236250 /nfs/dbraw/zinc/23/62/50/803236250.db2.gz VJDOPAKDFMXGGB-VCHYOVAHSA-N -2 3 287.290 3.318 20 30 CGEDHL CCCCCCC[C@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233940497 818736148 /nfs/dbraw/zinc/73/61/48/818736148.db2.gz XFWIEWDFZIXUBC-NSHDSACASA-N -2 3 292.383 3.164 20 30 CGEDHL CCCC[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC001595634369 981886733 /nfs/dbraw/zinc/88/67/33/981886733.db2.gz MTIUJQRJDZWSCI-OXFWXOROSA-N -2 3 269.728 3.108 20 30 CGEDHL O=C([O-])N1CCc2c(cccc2N=Cc2ccccc2[O-])C1 ZINC000740527546 571816039 /nfs/dbraw/zinc/81/60/39/571816039.db2.gz ZUHZGNTVNSKBHZ-UHFFFAOYSA-N -2 3 296.326 3.179 20 30 CGEDHL O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc([O-])c(F)c1 ZINC000255017931 617743601 /nfs/dbraw/zinc/74/36/01/617743601.db2.gz ZFVGELCHDTUWCR-RJRFIUFISA-N -2 3 276.238 3.272 20 30 CGEDHL O=C(/C=C\c1ccc([O-])c(F)c1)c1cc(F)ccc1[O-] ZINC000255345169 618211602 /nfs/dbraw/zinc/21/16/02/618211602.db2.gz UQLKSCBXJIVUBO-RJRFIUFISA-N -2 3 276.238 3.272 20 30 CGEDHL N#Cc1c([O-])csc1Nc1cccc([O-])c1Cl ZINC001210853836 814650681 /nfs/dbraw/zinc/65/06/81/814650681.db2.gz MFEBFRLEXVTSJG-UHFFFAOYSA-N -2 3 266.709 3.428 20 30 CGEDHL C/C(=N\[O-])c1ccc(-c2ccc(C(=O)[O-])cc2F)cc1 ZINC001239275050 820250492 /nfs/dbraw/zinc/25/04/92/820250492.db2.gz KUAYLVZPWYYIOO-RQZCQDPDSA-N -2 3 273.263 3.389 20 30 CGEDHL Cc1ccc(C(=O)[O-])cc1-c1ccccc1C=N[O-] ZINC001241004644 821483438 /nfs/dbraw/zinc/48/34/38/821483438.db2.gz DDXUGYDKCGZDBB-UHFFFAOYSA-N -2 3 255.273 3.168 20 30 CGEDHL [O-]/N=C1/CCc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241294423 821712563 /nfs/dbraw/zinc/71/25/63/821712563.db2.gz VZHCGFDOMDKSAL-PDGQHHTCSA-N -2 3 275.254 3.462 20 30 CGEDHL O=C([O-])N(CC/N=C/c1c([O-])ccc2ccccc21)C1CC1 ZINC000740489486 572443295 /nfs/dbraw/zinc/44/32/95/572443295.db2.gz OAKSTNVNYOPPQC-WOJGMQOQSA-N -2 3 298.342 3.107 20 30 CGEDHL O=C([O-])N1CCC[C@H]1C/N=C\c1c([O-])ccc2ccccc21 ZINC000740518327 572444350 /nfs/dbraw/zinc/44/43/50/572444350.db2.gz DWKVIKFCEUJXQZ-FHNWIRHTSA-N -2 3 298.342 3.107 20 30 CGEDHL O=C([O-])N1CCc2cc(N=Cc3ccccc3[O-])ccc21 ZINC000740530200 572444637 /nfs/dbraw/zinc/44/46/37/572444637.db2.gz VTOGNDRXZRQNNP-UHFFFAOYSA-N -2 3 282.299 3.183 20 30 CGEDHL O=C([O-])/C=C/c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001235623885 819127822 /nfs/dbraw/zinc/12/78/22/819127822.db2.gz WXXJOWOYVKESRG-ALZJMAQFSA-N -2 3 285.274 3.399 20 30 CGEDHL [O-]/N=C/c1ccc(F)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241294104 821712327 /nfs/dbraw/zinc/71/23/27/821712327.db2.gz VEPKNMMMOIRIBG-UBKPWBPPSA-N -2 3 267.206 3.285 20 30 CGEDHL Cc1c(F)cc(C(=O)[O-])cc1-c1cccc(/C=N/[O-])c1 ZINC001242210006 822911133 /nfs/dbraw/zinc/91/11/33/822911133.db2.gz BXXPTNDVJGERMI-CAOOACKPSA-N -2 3 273.263 3.307 20 30 CGEDHL CC(C)(C)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC001589743287 988024722 /nfs/dbraw/zinc/02/47/22/988024722.db2.gz JPIHIVRWENXKIY-OUZNOSRWSA-N -2 3 283.755 3.354 20 30 CGEDHL O=C([O-])c1cc(Cl)cc(N=Cc2cccc([O-])c2O)c1 ZINC000740075114 572430839 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Cc1cc(C(=O)[O-])ccc1-c1cc(/C=N/[O-])ccc1F ZINC001243205837 823290286 /nfs/dbraw/zinc/29/02/86/823290286.db2.gz OEJSGWQJQUSNTC-CAOOACKPSA-N -2 3 273.263 3.307 20 30 CGEDHL O=C([O-])c1ccc(NN=Cc2c([O-])cccc2Cl)cc1 ZINC000755456337 626624348 /nfs/dbraw/zinc/62/43/48/626624348.db2.gz VHQDVQBWBLTENP-UHFFFAOYSA-N -2 3 290.706 3.190 20 30 CGEDHL O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccccc1[O-] ZINC000794941616 629602880 /nfs/dbraw/zinc/60/28/80/629602880.db2.gz SKDMHFCGNOOSGE-ALCCZGGFSA-N -2 3 276.238 3.272 20 30 CGEDHL C=CCC[C@H](CC)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973854 932062947 /nfs/dbraw/zinc/06/29/47/932062947.db2.gz OEXKZUJWROGJIV-JTQLQIEISA-N -2 3 267.281 3.130 20 30 CGEDHL O=C([O-])c1ccc(NN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000916240521 624123578 /nfs/dbraw/zinc/12/35/78/624123578.db2.gz FEWWSCUESCAHJT-UHFFFAOYSA-N -2 3 290.706 3.190 20 30 CGEDHL O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(F)cc1[O-] ZINC000794941471 629602929 /nfs/dbraw/zinc/60/29/29/629602929.db2.gz OXXXRNHYYAVPNN-HYXAFXHYSA-N -2 3 294.228 3.411 20 30 CGEDHL N#Cc1ccc([O-])c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222166 814349581 /nfs/dbraw/zinc/34/95/81/814349581.db2.gz RPEGJYHSVUZNRA-UHFFFAOYSA-N -2 3 260.680 3.366 20 30 CGEDHL Cc1cc(Nc2cc(C#N)ccc2[O-])cc(C)c1C(=O)[O-] ZINC001216311119 815775629 /nfs/dbraw/zinc/77/56/29/815775629.db2.gz FBMNWRSNAFJYNY-UHFFFAOYSA-N -2 3 282.299 3.323 20 30 CGEDHL CCCCCCC[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224602112 816830980 /nfs/dbraw/zinc/83/09/80/816830980.db2.gz OFXIISPFSYGIJT-LBPRGKRZSA-N -2 3 266.318 3.320 20 30 CGEDHL C=C(C)[C@H]1CC=C(C)[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225023522 816934104 /nfs/dbraw/zinc/93/41/04/816934104.db2.gz XCJSKIWIDONSEQ-UONOGXRCSA-N -2 3 288.324 3.262 20 30 CGEDHL COc1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1C(=O)[O-] ZINC001240745514 821296351 /nfs/dbraw/zinc/29/63/51/821296351.db2.gz BZYXTVSVBRYSPR-CAOOACKPSA-N -2 3 289.262 3.008 20 30 CGEDHL O=C([O-])c1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1F ZINC001241188201 821624750 /nfs/dbraw/zinc/62/47/50/821624750.db2.gz VCJGVYURARRNAW-SDXDJHTJSA-N -2 3 285.274 3.315 20 30 CGEDHL O=C([O-])c1cccc(-c2ccc3c(c2)CC/C3=N/[O-])c1F ZINC001242381215 822975532 /nfs/dbraw/zinc/97/55/32/822975532.db2.gz LUZQVSLLOKQPJQ-JXAWBTAJSA-N -2 3 285.274 3.315 20 30 CGEDHL O=C(/C=C\c1ccc([O-])c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000755598098 626631174 /nfs/dbraw/zinc/63/11/74/626631174.db2.gz CNHQZFWTXWWLDY-IWQZZHSRSA-N -2 3 294.228 3.411 20 30 CGEDHL CC(C)C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000736404045 572787742 /nfs/dbraw/zinc/78/77/42/572787742.db2.gz OHYUDQXGACLUOK-JRUYLCMPSA-N -2 3 283.755 3.211 20 30 CGEDHL Cc1cc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)ccc1[O-] ZINC000782200914 628624208 /nfs/dbraw/zinc/62/42/08/628624208.db2.gz OPJJCEKVRNJWPJ-HYXAFXHYSA-N -2 3 288.324 3.356 20 30 CGEDHL O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc([O-])c(F)c1 ZINC000794934735 629602110 /nfs/dbraw/zinc/60/21/10/629602110.db2.gz MPMDCVVYSMFXMQ-GORDUTHDSA-N -2 3 294.228 3.411 20 30 CGEDHL O=C([O-])c1cc(-c2cc(/C=N/[O-])ccc2F)cs1 ZINC001206291098 813274269 /nfs/dbraw/zinc/27/42/69/813274269.db2.gz HCAHOXGUVUJEKT-LHHJGKSTSA-N -2 3 265.265 3.061 20 30 CGEDHL C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225019246 816933818 /nfs/dbraw/zinc/93/38/18/816933818.db2.gz VFGVKAGHDJIYMM-IHRRRGAJSA-N -2 3 290.340 3.342 20 30 CGEDHL [O-]/N=C/c1ccc(-c2ccc([O-])c(F)c2F)cc1F ZINC001243341462 823356139 /nfs/dbraw/zinc/35/61/39/823356139.db2.gz QVHKYBTZJLSLKN-UBKPWBPPSA-N -2 3 267.206 3.285 20 30 CGEDHL [O-]/N=C1/CCc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241121638 821576785 /nfs/dbraw/zinc/57/67/85/821576785.db2.gz PDEYRQNWRGUGAI-JXAWBTAJSA-N -2 3 275.254 3.462 20 30 CGEDHL O=C([O-])Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000738619773 572383287 /nfs/dbraw/zinc/38/32/87/572383287.db2.gz AVKFEHXWKPFPFP-UHFFFAOYSA-N -2 3 289.718 3.423 20 30 CGEDHL CCCCC[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000829312665 601365688 /nfs/dbraw/zinc/36/56/88/601365688.db2.gz YGHBNAIEFFNMFH-RGZVIEDOSA-N -2 3 283.755 3.498 20 30 CGEDHL N#Cc1cc(Nc2c(F)ccc([O-])c2F)c([O-])cc1F ZINC001175270203 809334704 /nfs/dbraw/zinc/33/47/04/809334704.db2.gz WFOSFZWEINTESO-UHFFFAOYSA-N -2 3 280.205 3.130 20 30 CGEDHL COc1cc(C(=O)[O-])cc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001244177207 803227074 /nfs/dbraw/zinc/22/70/74/803227074.db2.gz ZDSPXNGPADOGQD-VLGSPTGOSA-N -2 3 297.310 3.185 20 30 CGEDHL CCCCCCC[C@@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233940495 818736517 /nfs/dbraw/zinc/73/65/17/818736517.db2.gz XFWIEWDFZIXUBC-LLVKDONJSA-N -2 3 292.383 3.164 20 30 CGEDHL CCc1oc(C)c(Oc2c([O-])cc(Cl)cc2F)c1[O-] ZINC001234444375 818856043 /nfs/dbraw/zinc/85/60/43/818856043.db2.gz PDWNGCPISHHJIV-SNVBAGLBSA-N -2 3 286.686 3.173 20 30 CGEDHL C=C[C@@H](C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234746219 818921872 /nfs/dbraw/zinc/92/18/72/818921872.db2.gz CLHJFQMGIHXELO-SECBINFHSA-N -2 3 298.294 3.311 20 30 CGEDHL