smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(Sc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000000346828 180762826 /nfs/dbraw/zinc/76/28/26/180762826.db2.gz DKXGMFJGXGXYOZ-UHFFFAOYSA-N -1 0 306.814 5.313 10 0 DKAERM Cc1ccc2nc(-c3cccc4ccccc43)cc(C(=O)[O-])c2c1 ZINC000002521476 180931561 /nfs/dbraw/zinc/93/15/61/180931561.db2.gz NQPQAQPBJOPRNZ-UHFFFAOYSA-N -1 0 313.356 5.062 10 0 DKAERM [O-]c1c(Cl)cc(-c2cc(Cl)ccc2Cl)cc1Cl ZINC000002598150 560188323 /nfs/dbraw/zinc/18/83/23/560188323.db2.gz XKKCINSXSUTMIS-UHFFFAOYSA-N -1 0 307.991 5.673 10 0 in-vitro DKAERM O=C([O-])c1ccc2c(c1)sc(-c1ccoc1)c2C1CCCC1 ZINC000003612344 181040910 /nfs/dbraw/zinc/04/09/10/181040910.db2.gz AIXRPUVFNIUPFH-UHFFFAOYSA-N -1 0 312.390 5.517 10 0 DKAERM O=C([O-])c1ccc2c(c1)sc(-c1ccccn1)c2C1CCCC1 ZINC000003612347 181040813 /nfs/dbraw/zinc/04/08/13/181040813.db2.gz ZDJGEWMUMXRKTN-UHFFFAOYSA-N -1 0 323.417 5.319 10 0 DKAERM Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1 ZINC000003612399 181040603 /nfs/dbraw/zinc/04/06/03/181040603.db2.gz SOOVFVIRAAYMHK-UHFFFAOYSA-N -1 0 323.392 5.184 10 0 DKAERM O=C([O-])c1ccc2c(c1)[nH]c(-c1ccoc1)c2C1CCCCC1 ZINC000003612415 181041040 /nfs/dbraw/zinc/04/10/40/181041040.db2.gz JTBGUPHSMQLZDS-UHFFFAOYSA-N -1 0 309.365 5.174 10 0 DKAERM O=C([O-])c1cc(C2CCCCC2)nc2c(Cl)cc(Cl)cc12 ZINC000003756873 181045545 /nfs/dbraw/zinc/04/55/45/181045545.db2.gz PTGCZCTZDCCDNG-UHFFFAOYSA-N -1 0 324.207 5.288 10 0 DKAERM CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)[O-] ZINC000004095494 571685158 /nfs/dbraw/zinc/68/51/58/571685158.db2.gz UFPQIRYSPUYQHK-WAQVJNLQSA-N -1 0 318.457 5.204 10 0 endogenous,in-man DKAERM CCCCC/C=C\C/C=C\C=C\C=C\C[C@H]1O[C@@H]1CCC(=O)[O-] ZINC000004095902 560193598 /nfs/dbraw/zinc/19/35/98/560193598.db2.gz ANXVUHHMAOYZPG-BOCYDZBOSA-N -1 0 318.457 5.204 10 0 in-vitro DKAERM CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000004102323 181073248 /nfs/dbraw/zinc/07/32/48/181073248.db2.gz MLBYBBUZURKHAW-MISYRCLQSA-N -1 0 302.458 5.350 10 0 endogenous,in-man DKAERM CC/C=C\C/C=C\CCC/C=C/C=C/C=C\CCCC(=O)[O-] ZINC000004102325 560196782 /nfs/dbraw/zinc/19/67/82/560196782.db2.gz XGTCGDUVXWLURC-FZNBEQTOSA-N -1 0 302.458 5.993 10 0 in-vitro DKAERM CCCCC/C=C/C/C=C/C[C@@H]1O[C@H]1C/C=C/CCCC(=O)[O-] ZINC000004544303 181122522 /nfs/dbraw/zinc/12/25/22/181122522.db2.gz DBWQSCSXHFNTMO-HHTYWKFDSA-N -1 0 320.473 5.428 10 0 DKAERM CCCCC/C=C/C/C=C/C[C@H]1O[C@@H]1C/C=C/CCCC(=O)[O-] ZINC000004544306 181122556 /nfs/dbraw/zinc/12/25/56/181122556.db2.gz DBWQSCSXHFNTMO-APHPQYKBSA-N -1 0 320.473 5.428 10 0 DKAERM CCCCC/C=C/C/C=C/C[C@@H]1O[C@@H]1C/C=C/CCCC(=O)[O-] ZINC000004544310 181122454 /nfs/dbraw/zinc/12/24/54/181122454.db2.gz DBWQSCSXHFNTMO-FMOVSVGISA-N -1 0 320.473 5.428 10 0 DKAERM CC[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004654967 571687730 /nfs/dbraw/zinc/68/77/30/571687730.db2.gz GPQVVJQEBXAKBJ-VDTDYMMTSA-N -1 0 318.457 5.204 10 0 endogenous,in-man DKAERM [O-]c1c(Cl)c(Cl)c(-c2ccc(O)cc2)c(Cl)c1Cl ZINC000004655051 181132932 /nfs/dbraw/zinc/13/29/32/181132932.db2.gz ZTJLKJPIKUPJIB-UHFFFAOYSA-N -1 0 323.990 5.378 10 0 in-vitro DKAERM CCCCC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1CCCC(=O)[O-] ZINC000004655403 571688115 /nfs/dbraw/zinc/68/81/15/571688115.db2.gz VBQNSZQZRAGRIX-ZCASZMAYSA-N -1 0 320.473 5.428 10 0 endogenous,in-man DKAERM CCCCC/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\CCCC(=O)[O-] ZINC000004655405 181132781 /nfs/dbraw/zinc/13/27/81/181132781.db2.gz DBWQSCSXHFNTMO-VHVLZKDYSA-N -1 0 320.473 5.428 10 0 endogenous,in-man DKAERM CCCCC/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000004655406 181132885 /nfs/dbraw/zinc/13/28/85/181132885.db2.gz DBWQSCSXHFNTMO-CALMLMJYSA-N -1 0 320.473 5.428 10 0 endogenous,in-man DKAERM CCCCC/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000004655407 181132943 /nfs/dbraw/zinc/13/29/43/181132943.db2.gz DBWQSCSXHFNTMO-QJVNBQAESA-N -1 0 320.473 5.428 10 0 endogenous,in-man DKAERM CCCCC/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004655409 181132879 /nfs/dbraw/zinc/13/28/79/181132879.db2.gz DXOYQVHGIODESM-FLWFMKAKSA-N -1 0 320.473 5.428 10 0 in-vitro DKAERM CCCCC/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004655410 181132760 /nfs/dbraw/zinc/13/27/60/181132760.db2.gz DXOYQVHGIODESM-FYVRRLHDSA-N -1 0 320.473 5.428 10 0 in-vitro DKAERM CCCCC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004655411 181132838 /nfs/dbraw/zinc/13/28/38/181132838.db2.gz DXOYQVHGIODESM-MFYAFOOZSA-N -1 0 320.473 5.428 10 0 in-vitro DKAERM CCC1=Nc2cc(C(=O)[O-])ccc2Sc2ccc(Cl)cc21 ZINC000004670254 181134597 /nfs/dbraw/zinc/13/45/97/181134597.db2.gz CPYCYDVEWQUDGL-UHFFFAOYSA-N -1 0 317.797 5.034 10 0 DKAERM CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000005104405 560111112 /nfs/dbraw/zinc/11/11/12/560111112.db2.gz MLBYBBUZURKHAW-YZGWKJHDSA-N -1 0 302.458 5.350 10 0 endogenous,in-man DKAERM CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000005104406 256518605 /nfs/dbraw/zinc/51/86/05/256518605.db2.gz MLBYBBUZURKHAW-HOJAQTOUSA-N -1 0 302.458 5.350 10 0 endogenous,in-man DKAERM CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000005447613 181244840 /nfs/dbraw/zinc/24/48/40/181244840.db2.gz JAZBEHYOTPTENJ-GCPVBREVSA-N -1 0 302.458 5.993 10 0 DKAERM CCCCCc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000005712503 181275796 /nfs/dbraw/zinc/27/57/96/181275796.db2.gz BOPVPSAFZBPMDA-UHFFFAOYSA-N -1 0 319.404 5.333 10 0 DKAERM C/C(=C\C(=O)[O-])CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000005758644 181281409 /nfs/dbraw/zinc/28/14/09/181281409.db2.gz WDWBNNBRPVEEOD-PFXVRADUSA-N -1 0 310.522 6.456 10 0 in-vitro DKAERM C/C(=C\C(=O)[O-])CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000005758918 181281462 /nfs/dbraw/zinc/28/14/62/181281462.db2.gz WDWBNNBRPVEEOD-KXKYBSKFSA-N -1 0 310.522 6.456 10 0 in-vitro DKAERM CCC[C@H](O)C/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000005838186 181288382 /nfs/dbraw/zinc/28/83/82/181288382.db2.gz OPPIPPRXLIDJKN-BPKZELRKSA-N -1 0 320.473 5.188 10 0 DKAERM CC[C@H](O)CC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000005922853 181296646 /nfs/dbraw/zinc/29/66/46/181296646.db2.gz PPCHNRUZQWLEMF-CUAJCYPSSA-N -1 0 320.473 5.188 10 0 DKAERM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)[O-] ZINC000005962584 181301270 /nfs/dbraw/zinc/30/12/70/181301270.db2.gz RLCKHJSFHOZMDR-QRVBRYPASA-N -1 0 312.538 6.536 10 0 endogenous,in-man DKAERM C[C@H](O)CCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000006020477 181306511 /nfs/dbraw/zinc/30/65/11/181306511.db2.gz XFUXZHQUWPFWPR-JHZFFELZSA-N -1 0 320.473 5.188 10 0 DKAERM [O-]c1c(Cl)c(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000006091963 181311902 /nfs/dbraw/zinc/31/19/02/181311902.db2.gz BKWHBKVTXLCASI-UHFFFAOYSA-N -1 0 323.990 5.798 10 0 DKAERM [O-]c1c(Cl)cc(-c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000006092189 560205181 /nfs/dbraw/zinc/20/51/81/560205181.db2.gz RQGVZEFZWFEKQR-UHFFFAOYSA-N -1 0 307.991 5.673 10 0 in-vitro DKAERM O=C([O-])c1cccc(-c2cc3cc(Cl)c(Cl)cc3o2)c1 ZINC000006744976 518201508 /nfs/dbraw/zinc/20/15/08/518201508.db2.gz RZXMSODAHFTNJT-UHFFFAOYSA-N -1 0 307.132 5.105 10 0 DKAERM C[C@H](Sc1cc(Cl)cc(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC000011804360 181707418 /nfs/dbraw/zinc/70/74/18/181707418.db2.gz AZOAMNAINRIRMR-ZETCQYMHSA-N -1 0 317.193 5.138 10 0 DKAERM C/C(=C\C(=O)[O-])CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000012153721 560211552 /nfs/dbraw/zinc/21/15/52/560211552.db2.gz WDWBNNBRPVEEOD-ARDORSEHSA-N -1 0 310.522 6.456 10 0 in-vitro DKAERM C/C(=C\C(=O)[O-])CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000012153722 560211529 /nfs/dbraw/zinc/21/15/29/560211529.db2.gz WDWBNNBRPVEEOD-YIVOYZHKSA-N -1 0 310.522 6.456 10 0 in-vitro DKAERM CCCCC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCC(=O)[O-] ZINC000012495581 571694836 /nfs/dbraw/zinc/69/48/36/571694836.db2.gz VBQNSZQZRAGRIX-SWFISBABSA-N -1 0 320.473 5.428 10 0 endogenous,in-man DKAERM CCCCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1CCCC(=O)[O-] ZINC000012495586 571694905 /nfs/dbraw/zinc/69/49/05/571694905.db2.gz VBQNSZQZRAGRIX-GMKBZGQBSA-N -1 0 320.473 5.428 10 0 endogenous,in-man DKAERM CC(/C=C/[C@@H]1[C@H](C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000012496182 571694843 /nfs/dbraw/zinc/69/48/43/571694843.db2.gz WWDMJSSVVPXVSV-AQDRZTCPSA-N -1 0 302.458 5.538 10 0 endogenous,in-man DKAERM CC(/C=C/[C@@H]1[C@@H](C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000012496184 571694917 /nfs/dbraw/zinc/69/49/17/571694917.db2.gz WWDMJSSVVPXVSV-BIUMWLDYSA-N -1 0 302.458 5.538 10 0 endogenous,in-man DKAERM CC(/C=C/[C@H]1[C@H](C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000012496188 571694811 /nfs/dbraw/zinc/69/48/11/571694811.db2.gz WWDMJSSVVPXVSV-BJUIOQSLSA-N -1 0 302.458 5.538 10 0 endogenous,in-man DKAERM CC(/C=C/[C@H]1[C@@H](C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000012496191 571694766 /nfs/dbraw/zinc/69/47/66/571694766.db2.gz WWDMJSSVVPXVSV-LLUHHMESSA-N -1 0 302.458 5.538 10 0 endogenous,in-man DKAERM CCCCC/C=C/CCCC/C=C\CCCCCCC(=O)[O-] ZINC000013507105 181856536 /nfs/dbraw/zinc/85/65/36/181856536.db2.gz DONHHCGFNMNGPH-BWLOLTEUSA-N -1 0 308.506 6.665 10 0 DKAERM CCCCC/C=C/CCCC/C=C/CCCCCCC(=O)[O-] ZINC000013507109 181856910 /nfs/dbraw/zinc/85/69/10/181856910.db2.gz DONHHCGFNMNGPH-GYIPPJPDSA-N -1 0 308.506 6.665 10 0 DKAERM CCC(CC)CC1(C(=O)Nc2ccccc2[S-])CCCCC1 ZINC000013813331 563476950 /nfs/dbraw/zinc/47/69/50/563476950.db2.gz OVRLABAFXJPIMU-UHFFFAOYSA-N -1 0 319.514 5.691 10 0 DKAERM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)[O-] ZINC000013827687 560220720 /nfs/dbraw/zinc/22/07/20/560220720.db2.gz SZNLKILVMCHHSD-OZFNKYQOSA-N -1 0 304.474 6.217 10 0 in-vitro DKAERM O=C([O-])CCCCCCCCCCCCCCCCCO ZINC000014494633 181955837 /nfs/dbraw/zinc/95/58/37/181955837.db2.gz VLHZUYUOEGBBJB-UHFFFAOYSA-N -1 0 300.483 5.305 10 0 in-vitro DKAERM O=C([O-])CCCCCCCCCCCCCc1ccccc1 ZINC000014652401 181964088 /nfs/dbraw/zinc/96/40/88/181964088.db2.gz HPQHLPLKDXMGOP-UHFFFAOYSA-N -1 0 304.474 5.995 10 0 DKAERM CC(C)=CCC/C(=C\CC/C(C)=C/CC/C(C)=C/CO)C(=O)[O-] ZINC000014654684 290940608 /nfs/dbraw/zinc/94/06/08/290940608.db2.gz USXGDFAHMRCBBX-PFZXPCEQSA-N -1 0 320.473 5.189 10 0 biogenic,in-vitro DKAERM C[C@@H]1CC[C@]2(C)C(C(=O)[O-])=CCC[C@H]2[C@@]1(C)CCc1ccoc1 ZINC000015156307 560229031 /nfs/dbraw/zinc/22/90/31/560229031.db2.gz HHWOKJDCJVESIF-PEFDPPPMSA-N -1 0 316.441 5.076 10 0 biogenic,in-vitro DKAERM Cc1cc(OCc2ccc(C(=O)[O-])s2)c(C(C)C)cc1Cl ZINC000020312492 182205648 /nfs/dbraw/zinc/20/56/48/182205648.db2.gz NIROLOXJJGZXOT-UHFFFAOYSA-N -1 0 324.829 5.111 10 0 DKAERM O=C([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000020563658 182232568 /nfs/dbraw/zinc/23/25/68/182232568.db2.gz OAZKNXSVGDSGBC-UHFFFAOYSA-N -1 0 317.555 5.137 10 0 DKAERM CCCC1=Nc2cc(C(=O)[O-])ccc2Sc2ccc(C)cc21 ZINC000020665393 182242364 /nfs/dbraw/zinc/24/23/64/182242364.db2.gz FOLRBSWHWYWYER-UHFFFAOYSA-N -1 0 311.406 5.079 10 0 DKAERM O=C([O-])c1c(Cl)cccc1Oc1ccc(Cl)cc1Cl ZINC000021021059 182261210 /nfs/dbraw/zinc/26/12/10/182261210.db2.gz XGFJBJQMJXLUMU-UHFFFAOYSA-N -1 0 317.555 5.137 10 0 DKAERM O=C([O-])c1c(Cl)cccc1Oc1cccc(Cl)c1Cl ZINC000021512391 182276411 /nfs/dbraw/zinc/27/64/11/182276411.db2.gz VMQQOXJEWMDOLM-UHFFFAOYSA-N -1 0 317.555 5.137 10 0 DKAERM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000021951023 182299922 /nfs/dbraw/zinc/29/99/22/182299922.db2.gz YGFZXABEKIXJDO-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM Cc1cc(C)cc(-c2ccc(C(=O)[O-])c(Nc3ccccc3)c2)c1 ZINC000021999065 182303147 /nfs/dbraw/zinc/30/31/47/182303147.db2.gz KBAWHCUNJDJZDM-UHFFFAOYSA-N -1 0 317.388 5.412 10 0 DKAERM CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-] ZINC000025721738 563961752 /nfs/dbraw/zinc/96/17/52/563961752.db2.gz JAZBEHYOTPTENJ-RCHUDCCISA-N -1 0 302.458 5.993 10 0 DKAERM CCCCC[C@@H](O)/C=C\C=C/CCCCCCCCCC(=O)[O-] ZINC000026577353 182446857 /nfs/dbraw/zinc/44/68/57/182446857.db2.gz ZTRWPEHMGCHTIT-YVJQGCIQSA-N -1 0 324.505 5.636 10 0 DKAERM CCCCC[C@H](O)/C=C\C=C/CCCCCCCCCC(=O)[O-] ZINC000026577354 182446542 /nfs/dbraw/zinc/44/65/42/182446542.db2.gz ZTRWPEHMGCHTIT-IZVLIJROSA-N -1 0 324.505 5.636 10 0 DKAERM C[C@@H]1CC[C@@]2(C)C(C(=O)[O-])=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000028536305 563432343 /nfs/dbraw/zinc/43/23/43/563432343.db2.gz HHWOKJDCJVESIF-JBCDFXQESA-N -1 0 316.441 5.076 10 0 biogenic,in-vitro DKAERM CC(C)=CCC/C(=C/CC/C(C)=C/CC/C(C)=C/CO)C(=O)[O-] ZINC000031168159 560090155 /nfs/dbraw/zinc/09/01/55/560090155.db2.gz USXGDFAHMRCBBX-AGZUIYMTSA-N -1 0 320.473 5.189 10 0 biogenic,in-vitro DKAERM CC/C=C/C[C@@H]1O[C@@H]1C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000032821791 182668303 /nfs/dbraw/zinc/66/83/03/182668303.db2.gz RGZIXZYRGZWDMI-VLCPVQSDSA-N -1 0 318.457 5.204 10 0 DKAERM C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000033503586 574414096 /nfs/dbraw/zinc/41/40/96/574414096.db2.gz MXYATHGRPJZBNA-QQXMDYFESA-N -1 0 302.458 5.206 10 0 endogenous,in-man DKAERM Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000033798584 563923963 /nfs/dbraw/zinc/92/39/63/563923963.db2.gz ZETPZMWJGZOFFG-UHFFFAOYSA-N -1 0 302.373 5.336 10 0 DKAERM CCCC/C=C\CCCCCCCCCCCCCC(=O)[O-] ZINC000033822153 182723545 /nfs/dbraw/zinc/72/35/45/182723545.db2.gz IOXXMKVPBSHVKL-WAYWQWQTSA-N -1 0 310.522 6.889 10 0 DKAERM CCCCC[C@@H](O)/C=C\C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000033822378 568412906 /nfs/dbraw/zinc/41/29/06/568412906.db2.gz JSFATNQSLKRBCI-PIWBHNOUSA-N -1 0 320.473 5.188 10 0 DKAERM CC(C)CCC[C@@H](C)CCCCc1cccc(O)c1C(=O)[O-] ZINC000035973616 563454121 /nfs/dbraw/zinc/45/41/21/563454121.db2.gz KZTAGSFPKTUDSI-HNNXBMFYSA-N -1 0 306.446 5.266 10 0 DKAERM CC(C)CCC[C@H](C)CCCCc1cccc(O)c1C(=O)[O-] ZINC000035973617 563454147 /nfs/dbraw/zinc/45/41/47/563454147.db2.gz KZTAGSFPKTUDSI-OAHLLOKOSA-N -1 0 306.446 5.266 10 0 DKAERM O=C([O-])c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000036927351 182853209 /nfs/dbraw/zinc/85/32/09/182853209.db2.gz QTRBZGKOZVRALG-UHFFFAOYSA-N -1 0 307.585 5.074 10 0 DKAERM CC(/C=C/C=C(\C)CCC1=C(C)CCCC1(C)C)=C\C(=O)[O-] ZINC000038538434 183001711 /nfs/dbraw/zinc/00/17/11/183001711.db2.gz CUACFKVMQBDRJA-SNQZJYSLSA-N -1 0 302.458 5.827 10 0 DKAERM Cc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1[O-] ZINC000038609718 183004635 /nfs/dbraw/zinc/00/46/35/183004635.db2.gz DFLQADJJFCUSAX-UHFFFAOYSA-N -1 0 315.221 5.173 10 0 DKAERM O=C([O-])c1ccccc1Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000039127660 183014320 /nfs/dbraw/zinc/01/43/20/183014320.db2.gz UZSBSIZKRWBRIC-UHFFFAOYSA-N -1 0 316.571 5.089 10 0 DKAERM O=C([O-])c1ccccc1Nc1cc(Cl)cc(Cl)c1Cl ZINC000039127667 183014507 /nfs/dbraw/zinc/01/45/07/183014507.db2.gz BZTUQSMAEGRQHD-UHFFFAOYSA-N -1 0 316.571 5.089 10 0 DKAERM O=C([O-])c1ccccc1-c1[nH]c2ccccc2c1-c1ccccc1 ZINC000039630430 183021941 /nfs/dbraw/zinc/02/19/41/183021941.db2.gz HHKPLUAFQHOPFO-UHFFFAOYSA-N -1 0 313.356 5.200 10 0 DKAERM CC(C)c1cn(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)[O-] ZINC000040443160 183067533 /nfs/dbraw/zinc/06/75/33/183067533.db2.gz HJRNVJXEINSGST-UHFFFAOYSA-N -1 0 323.367 5.105 10 0 DKAERM CCCCn1c(C(=O)[O-])cc2oc(-c3ccc(Cl)cc3)cc21 ZINC000053994381 183919261 /nfs/dbraw/zinc/91/92/61/183919261.db2.gz HTLIRCKNWKLZQO-UHFFFAOYSA-N -1 0 317.772 5.053 10 0 DKAERM O=C([O-])c1cc(Cl)ccc1Oc1cc(Cl)cc(Cl)c1 ZINC000059745778 184140524 /nfs/dbraw/zinc/14/05/24/184140524.db2.gz BKUJCNVVWWOPSN-UHFFFAOYSA-N -1 0 317.555 5.137 10 0 DKAERM CC(C)(CC(=O)[O-])CC(F)(F)c1cc(Cl)sc1Cl ZINC000061825648 184188950 /nfs/dbraw/zinc/18/89/50/184188950.db2.gz OTCDKSVECWXEDZ-UHFFFAOYSA-N -1 0 317.184 5.038 10 0 DKAERM O=C([O-])c1cc(-c2cccc(Cl)c2Cl)ccc1Cl ZINC000065331656 184324805 /nfs/dbraw/zinc/32/48/05/184324805.db2.gz VHQVUBYSRQEUAE-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1cc(-c2cc(Cl)ccc2Cl)ccc1Cl ZINC000065331660 184325157 /nfs/dbraw/zinc/32/51/57/184325157.db2.gz OWSRBXFUBHDBDQ-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)ccc1Cl ZINC000065331670 184324945 /nfs/dbraw/zinc/32/49/45/184324945.db2.gz GPLXEYDBZGUTMI-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM Cc1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(Cl)c1 ZINC000065351060 184326712 /nfs/dbraw/zinc/32/67/12/184326712.db2.gz DYDIQOLVMQHXBD-UHFFFAOYSA-N -1 0 314.690 5.032 10 0 DKAERM Cc1c(Cl)cccc1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000065351088 184326431 /nfs/dbraw/zinc/32/64/31/184326431.db2.gz PORURIXJLAUOLZ-UHFFFAOYSA-N -1 0 314.690 5.032 10 0 DKAERM Cc1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1Cl ZINC000065351116 184326471 /nfs/dbraw/zinc/32/64/71/184326471.db2.gz BBMLGXSGTRLJJI-UHFFFAOYSA-N -1 0 314.690 5.032 10 0 DKAERM Cc1cc(Cl)ccc1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000065351172 184326649 /nfs/dbraw/zinc/32/66/49/184326649.db2.gz SLZPLNYLWPYWPH-UHFFFAOYSA-N -1 0 314.690 5.032 10 0 DKAERM Cc1cc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)ccc1Cl ZINC000065351200 184326911 /nfs/dbraw/zinc/32/69/11/184326911.db2.gz ALONPNCDIIGCDA-UHFFFAOYSA-N -1 0 314.690 5.032 10 0 DKAERM O=C([O-])c1cc(-c2ccc3ccccc3c2)cc(C(F)(F)F)c1 ZINC000065351221 184326985 /nfs/dbraw/zinc/32/69/85/184326985.db2.gz OIQLUJNLUQCJKX-UHFFFAOYSA-N -1 0 316.278 5.224 10 0 DKAERM CC(C)(C)c1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000065351414 184327135 /nfs/dbraw/zinc/32/71/35/184327135.db2.gz ZXDMNKRIZXBFJP-UHFFFAOYSA-N -1 0 322.326 5.368 10 0 DKAERM O=C([O-])c1cc(-c2cccc3ccccc32)cc(C(F)(F)F)c1 ZINC000065354068 184326959 /nfs/dbraw/zinc/32/69/59/184326959.db2.gz DGPGIOGFDFQEAU-UHFFFAOYSA-N -1 0 316.278 5.224 10 0 DKAERM O=C([O-])c1ccc(-c2cccc(Cl)c2Cl)cc1Cl ZINC000065354266 184326890 /nfs/dbraw/zinc/32/68/90/184326890.db2.gz ZLEXGMWBTLGVAA-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(Cl)cc1-c1cccc(Cl)c1Cl ZINC000065354268 184326861 /nfs/dbraw/zinc/32/68/61/184326861.db2.gz GHEFREQIVVFJHB-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1c(Cl)cccc1-c1cccc(Cl)c1Cl ZINC000065354269 184326963 /nfs/dbraw/zinc/32/69/63/184326963.db2.gz WFVKCLHAZRNWHO-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1 ZINC000065354270 184326986 /nfs/dbraw/zinc/32/69/86/184326986.db2.gz KKKUFWTYSILERK-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(-c2ccc(Cl)cc2Cl)cc1Cl ZINC000065354287 184327071 /nfs/dbraw/zinc/32/70/71/184327071.db2.gz ALKDGBDBJCTIID-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(Cl)cc1-c1ccc(Cl)cc1Cl ZINC000065354289 184327144 /nfs/dbraw/zinc/32/71/44/184327144.db2.gz AIOKIJSNRNJXKF-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1c(Cl)cccc1-c1ccc(Cl)cc1Cl ZINC000065354290 184326904 /nfs/dbraw/zinc/32/69/04/184326904.db2.gz VSFMUYNAKXMSNY-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(Cl)c(-c2ccc(Cl)cc2Cl)c1 ZINC000065354291 184327175 /nfs/dbraw/zinc/32/71/75/184327175.db2.gz VARUVAGQEJRLRT-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(-c2cc(Cl)ccc2Cl)cc1Cl ZINC000065354306 184327102 /nfs/dbraw/zinc/32/71/02/184327102.db2.gz FKPKJEAPOHBANE-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(Cl)cc1-c1cc(Cl)ccc1Cl ZINC000065354308 184326877 /nfs/dbraw/zinc/32/68/77/184326877.db2.gz KSJXNLYJKNHGMD-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1c(Cl)cccc1-c1cc(Cl)ccc1Cl ZINC000065354309 184326952 /nfs/dbraw/zinc/32/69/52/184326952.db2.gz YOUYXYSCHPZKFQ-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000065354324 184326908 /nfs/dbraw/zinc/32/69/08/184326908.db2.gz XLWWYHAYFIUEEX-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(Cl)cc1-c1ccc(Cl)c(Cl)c1 ZINC000065354326 184327064 /nfs/dbraw/zinc/32/70/64/184327064.db2.gz FNPIMJXFIDVBIY-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1 ZINC000065354327 184326999 /nfs/dbraw/zinc/32/69/99/184326999.db2.gz ZFDKODYKACDLQZ-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1cc(-c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000065354350 184327055 /nfs/dbraw/zinc/32/70/55/184327055.db2.gz OLZDQGZAANSXTG-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(-c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000065354351 184327027 /nfs/dbraw/zinc/32/70/27/184327027.db2.gz QNUYNNAGQZMILA-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(Cl)cc1-c1cc(Cl)cc(Cl)c1 ZINC000065354353 184327148 /nfs/dbraw/zinc/32/71/48/184327148.db2.gz MFZGNNGMSKPHAM-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1c(Cl)cccc1-c1cc(Cl)cc(Cl)c1 ZINC000065354354 184326856 /nfs/dbraw/zinc/32/68/56/184326856.db2.gz ACSNGQJMMZSDJS-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM O=C([O-])c1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2)c1 ZINC000065354355 184327019 /nfs/dbraw/zinc/32/70/19/184327019.db2.gz BFBOSHFAXUPEQH-UHFFFAOYSA-N -1 0 301.556 5.012 10 0 DKAERM CCCCC/C=C/CCCCCCC/C=C\CCCC(=O)[O-] ZINC000083433890 192371587 /nfs/dbraw/zinc/37/15/87/192371587.db2.gz ZPYAEYLYGOTGGC-LWWYVQCFSA-N -1 0 308.506 6.665 10 0 DKAERM CCCCC/C=C\CCCCCCC/C=C/CCCC(=O)[O-] ZINC000083433891 192370768 /nfs/dbraw/zinc/37/07/68/192370768.db2.gz ZPYAEYLYGOTGGC-HOVIKNKYSA-N -1 0 308.506 6.665 10 0 DKAERM CCCCC/C=C/CCCCCCC/C=C/CCCC(=O)[O-] ZINC000083433892 192371391 /nfs/dbraw/zinc/37/13/91/192371391.db2.gz ZPYAEYLYGOTGGC-OOSDOLGSSA-N -1 0 308.506 6.665 10 0 DKAERM CCCC[C@H](O)/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000090424883 185295628 /nfs/dbraw/zinc/29/56/28/185295628.db2.gz JEKNPVYFNMZRJG-MDIFVRDBSA-N -1 0 320.473 5.188 10 0 DKAERM O=C([O-])CCCCCCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000090443402 185296864 /nfs/dbraw/zinc/29/68/64/185296864.db2.gz FNKMRGTZQFOTTE-UHFFFAOYSA-N -1 0 324.420 5.352 10 0 DKAERM O=C([O-])CCCCCCCCc1ccc(-c2ccccc2)cc1 ZINC000090443407 185296889 /nfs/dbraw/zinc/29/68/89/185296889.db2.gz FHWOODBUKMPKPB-UHFFFAOYSA-N -1 0 310.437 5.711 10 0 DKAERM O=C([O-])CCCCCCCCCc1ccc(-c2ccccc2)cc1 ZINC000090443408 185296841 /nfs/dbraw/zinc/29/68/41/185296841.db2.gz ACJVNYXIIWIEKC-UHFFFAOYSA-N -1 0 324.464 6.102 10 0 DKAERM O=C([O-])CCCCCCCCCCCC(=O)c1ccccc1 ZINC000090443409 185296885 /nfs/dbraw/zinc/29/68/85/185296885.db2.gz PTIRDGWOSJGQNA-UHFFFAOYSA-N -1 0 304.430 5.245 10 0 DKAERM O=C([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000095582133 185381367 /nfs/dbraw/zinc/38/13/67/185381367.db2.gz BXGNPSILVZLQQI-UHFFFAOYSA-N -1 0 317.555 5.137 10 0 DKAERM CC(C)c1ccc(/C=C2\C=C(CC(=O)[O-])c3cc(F)ccc32)cc1 ZINC000095586252 185381565 /nfs/dbraw/zinc/38/15/65/185381565.db2.gz VGMRWAAVHNTCHT-CXUHLZMHSA-N -1 0 322.379 5.361 10 0 DKAERM CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC2 ZINC000104883775 257121229 /nfs/dbraw/zinc/12/12/29/257121229.db2.gz MLBYBBUZURKHAW-YSIASYRMSA-N -1 0 302.458 5.350 10 0 endogenous,in-man DKAERM CCCCC/C=C/C=C1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000113513029 563702215 /nfs/dbraw/zinc/70/22/15/563702215.db2.gz LDOCIRJMPUHXRM-HNPAHQSSSA-N -1 0 318.457 5.230 10 0 DKAERM CCCCC/C=C/C=C1C=CC(=O)[C@H]1CCCCCCC(=O)[O-] ZINC000113513033 563702489 /nfs/dbraw/zinc/70/24/89/563702489.db2.gz LDOCIRJMPUHXRM-DIPMFEJVSA-N -1 0 318.457 5.230 10 0 DKAERM CC(C)(C)c1cc(SC(C)(C)C(=O)[O-])cc(C(C)(C)C)c1 ZINC000143850893 186034467 /nfs/dbraw/zinc/03/44/67/186034467.db2.gz ULEGDXYRRNDJHH-UHFFFAOYSA-N -1 0 308.487 5.237 10 0 DKAERM C[C@H](O)CCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)[O-] ZINC000150373491 186056689 /nfs/dbraw/zinc/05/66/89/186056689.db2.gz XFUXZHQUWPFWPR-IBIAPAIQSA-N -1 0 320.473 5.188 10 0 DKAERM C[C@H](O)CCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000150373493 186056650 /nfs/dbraw/zinc/05/66/50/186056650.db2.gz XFUXZHQUWPFWPR-CZAMZRPDSA-N -1 0 320.473 5.188 10 0 DKAERM CC/C=C/C[C@@H]1O[C@@H]1C/C=C/C/C=C/C/C=C/CCCC(=O)[O-] ZINC000150373520 186056595 /nfs/dbraw/zinc/05/65/95/186056595.db2.gz RGZIXZYRGZWDMI-HAJJMDAXSA-N -1 0 318.457 5.204 10 0 DKAERM CC/C=C/C[C@@H]1O[C@@H]1C/C=C/C/C=C/C/C=C\CCCC(=O)[O-] ZINC000150373521 186056852 /nfs/dbraw/zinc/05/68/52/186056852.db2.gz RGZIXZYRGZWDMI-RZSQRHMHSA-N -1 0 318.457 5.204 10 0 DKAERM CC/C=C/C[C@@H]1O[C@@H]1C/C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000150373524 186056632 /nfs/dbraw/zinc/05/66/32/186056632.db2.gz RGZIXZYRGZWDMI-KLNOTJKWSA-N -1 0 318.457 5.204 10 0 DKAERM CCCCC/C=C/C/C=C\C[C@H](O)/C=C/C=C/CCCC(=O)[O-] ZINC000150373761 186056508 /nfs/dbraw/zinc/05/65/08/186056508.db2.gz KATOYYZUTNAWSA-MYJAPSQISA-N -1 0 320.473 5.188 10 0 DKAERM CCCC[C@@H](C(=O)[O-])c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000169321144 197740304 /nfs/dbraw/zinc/74/03/04/197740304.db2.gz AQNVZINYVLBPRG-CQSZACIVSA-N -1 0 320.473 5.346 10 0 DKAERM CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@H]1CC2 ZINC000252253177 257106669 /nfs/dbraw/zinc/10/66/69/257106669.db2.gz MLBYBBUZURKHAW-IHPCNDPISA-N -1 0 302.458 5.350 10 0 endogenous,in-man DKAERM CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)[O-] ZINC000255004005 563477398 /nfs/dbraw/zinc/47/73/98/563477398.db2.gz JAZBEHYOTPTENJ-WWMAXSSBSA-N -1 0 302.458 5.993 10 0 DKAERM CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000255220679 563619680 /nfs/dbraw/zinc/61/96/80/563619680.db2.gz JAZBEHYOTPTENJ-UUQHCRCUSA-N -1 0 302.458 5.993 10 0 DKAERM CCCCC[C@@H]1O[C@@H]1C/C=C/C=C/CC/C=C/CCCC(=O)[O-] ZINC000263618704 203487028 /nfs/dbraw/zinc/48/70/28/203487028.db2.gz VBISUYGKFARLLP-LHZOKRCOSA-N -1 0 320.473 5.428 10 0 DKAERM CCCC[C@H](O)/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000306146515 528996001 /nfs/dbraw/zinc/99/60/01/528996001.db2.gz JEKNPVYFNMZRJG-OEGFTWOSSA-N -1 0 320.473 5.188 10 0 DKAERM CCCC[C@H](O)/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)[O-] ZINC000306146516 528995899 /nfs/dbraw/zinc/99/58/99/528995899.db2.gz JEKNPVYFNMZRJG-YBPYWUSOSA-N -1 0 320.473 5.188 10 0 DKAERM CCC[C@H](O)C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-] ZINC000306146822 528242960 /nfs/dbraw/zinc/24/29/60/528242960.db2.gz OPPIPPRXLIDJKN-PCFKAMQFSA-N -1 0 320.473 5.188 10 0 DKAERM CCC[C@H](O)C/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)[O-] ZINC000306146823 528243564 /nfs/dbraw/zinc/24/35/64/528243564.db2.gz OPPIPPRXLIDJKN-SFYFKPAHSA-N -1 0 320.473 5.188 10 0 DKAERM CCC[C@H](O)C/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)[O-] ZINC000306146824 528243152 /nfs/dbraw/zinc/24/31/52/528243152.db2.gz OPPIPPRXLIDJKN-SURSIFSMSA-N -1 0 320.473 5.188 10 0 DKAERM CC[C@@H](c1cccc(OC2CCCCCC2)c1)[C@H](C)C(=O)[O-] ZINC000584596345 337374225 /nfs/dbraw/zinc/37/42/25/337374225.db2.gz VIBLCZNLNZOOTR-KBXCAEBGSA-N -1 0 304.430 5.003 10 0 DKAERM CC[C@H](c1cccc(OC2CCCCCC2)c1)[C@@H](C)C(=O)[O-] ZINC000584596346 337374154 /nfs/dbraw/zinc/37/41/54/337374154.db2.gz VIBLCZNLNZOOTR-KDOFPFPSSA-N -1 0 304.430 5.003 10 0 DKAERM CC[C@H](c1cccc(OC2CCCCCC2)c1)[C@H](C)C(=O)[O-] ZINC000584596347 337374232 /nfs/dbraw/zinc/37/42/32/337374232.db2.gz VIBLCZNLNZOOTR-KSSFIOAISA-N -1 0 304.430 5.003 10 0 DKAERM CC[C@@H](c1cccc(OC2CCCCCC2)c1)[C@@H](C)C(=O)[O-] ZINC000584596348 337374212 /nfs/dbraw/zinc/37/42/12/337374212.db2.gz VIBLCZNLNZOOTR-RDTXWAMCSA-N -1 0 304.430 5.003 10 0 DKAERM C/C(=C(\c1ccccc1)c1ccccn1)c1ccc([S-])cc1 ZINC000584597036 337374412 /nfs/dbraw/zinc/37/44/12/337374412.db2.gz WMRHXMJAVGDTMG-HKWRFOASSA-N -1 0 303.430 5.349 10 0 DKAERM O=C([O-])c1ccc(Cl)cc1Nc1ccc(-c2ccccc2)cc1 ZINC000584597868 337374485 /nfs/dbraw/zinc/37/44/85/337374485.db2.gz UZUIDSGAKXIVMB-UHFFFAOYSA-N -1 0 323.779 5.449 10 0 DKAERM O=C([O-])c1ccc(C2CCC2)c(SCC2CC2)c1C1CC1 ZINC000584598854 337370567 /nfs/dbraw/zinc/37/05/67/337370567.db2.gz MCKWCSPHWRIOSJ-UHFFFAOYSA-N -1 0 302.439 5.032 10 0 DKAERM CCCCC[C@@H](O)/C=C/C=C\CCCCCCCCC(=O)[O-] ZINC000584615706 337372671 /nfs/dbraw/zinc/37/26/71/337372671.db2.gz JHFOVTLNYHMZSE-POEMTPSNSA-N -1 0 310.478 5.245 10 0 DKAERM COc1cc2c(cccc2CCCCCC(=O)[O-])cc1C(C)C ZINC000584620472 337373112 /nfs/dbraw/zinc/37/31/12/337373112.db2.gz JJLXMCDRVYKYFE-UHFFFAOYSA-N -1 0 314.425 5.159 10 0 DKAERM [O-]c1c(Cl)cc(OCC=C(Cl)Cl)c(Cl)c1Cl ZINC000584623791 337375156 /nfs/dbraw/zinc/37/51/56/337375156.db2.gz QMVUQQDFWTXAGK-UHFFFAOYSA-N -1 0 322.402 5.050 10 0 DKAERM CCCCC/C=C\CCOc1ccc2cc(C(=O)[O-])ccc2c1 ZINC000584626750 337376019 /nfs/dbraw/zinc/37/60/19/337376019.db2.gz FDMYNZOGYQZCAW-SREVYHEPSA-N -1 0 312.409 5.443 10 0 DKAERM C[C@H](C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000584631369 337377132 /nfs/dbraw/zinc/37/71/32/337377132.db2.gz PPXPGRVNBZQTBP-LLVKDONJSA-N -1 0 321.203 5.146 10 0 DKAERM C[C@@H](C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000584631371 337377013 /nfs/dbraw/zinc/37/70/13/337377013.db2.gz PPXPGRVNBZQTBP-NSHDSACASA-N -1 0 321.203 5.146 10 0 DKAERM Cc1c(-c2ccccc2)nc2ccc(C(C)(C)C)cc2c1C(=O)[O-] ZINC000584637167 337379400 /nfs/dbraw/zinc/37/94/00/337379400.db2.gz ATWSCUDAELQYND-UHFFFAOYSA-N -1 0 319.404 5.206 10 0 DKAERM Cc1c(-c2ccccc2)nc2ccc(C(C)C)cc2c1C(=O)[O-] ZINC000584637500 337379466 /nfs/dbraw/zinc/37/94/66/337379466.db2.gz TYCGLDXJLYDLDV-UHFFFAOYSA-N -1 0 305.377 5.032 10 0 DKAERM CCc1c(C(=O)[O-])ccc(C(F)(F)Cl)c1SC(C)(C)C ZINC000584642121 337380215 /nfs/dbraw/zinc/38/02/15/337380215.db2.gz BDLPDEQGJBLUKR-UHFFFAOYSA-N -1 0 322.804 5.126 10 0 DKAERM CCc1c(C(=O)[O-])ccc(C(F)(F)Cl)c1S[C@H](C)CC ZINC000584642217 337380176 /nfs/dbraw/zinc/38/01/76/337380176.db2.gz DAAGYFTXVFQOOP-MRVPVSSYSA-N -1 0 322.804 5.126 10 0 DKAERM CCc1c(C(=O)[O-])ccc(C(F)(F)Cl)c1S[C@@H](C)CC ZINC000584642218 337380174 /nfs/dbraw/zinc/38/01/74/337380174.db2.gz DAAGYFTXVFQOOP-QMMMGPOBSA-N -1 0 322.804 5.126 10 0 DKAERM CCCc1c(C(=O)[O-])ccc(C(F)(F)F)c1S[C@H](C)CC ZINC000584644053 337380252 /nfs/dbraw/zinc/38/02/52/337380252.db2.gz YQAGHMSJMCVIGV-SECBINFHSA-N -1 0 320.376 5.247 10 0 DKAERM CCCc1c(C(=O)[O-])ccc(C(F)(F)F)c1S[C@@H](C)CC ZINC000584644054 337380270 /nfs/dbraw/zinc/38/02/70/337380270.db2.gz YQAGHMSJMCVIGV-VIFPVBQESA-N -1 0 320.376 5.247 10 0 DKAERM CCCc1c(C(=O)[O-])ccc(C(F)(F)F)c1SC(C)(C)C ZINC000584644061 337380268 /nfs/dbraw/zinc/38/02/68/337380268.db2.gz ZDVMNXMIHDFUOI-UHFFFAOYSA-N -1 0 320.376 5.247 10 0 DKAERM CCCSc1c(C(F)(F)F)ccc(C(=O)[O-])c1C(C)C ZINC000584644072 337380276 /nfs/dbraw/zinc/38/02/76/337380276.db2.gz ZXLMDMHVVHDFKL-UHFFFAOYSA-N -1 0 306.349 5.029 10 0 DKAERM O=C([O-])c1sc(Br)cc1C1CCCCCCC1 ZINC000675058279 563910289 /nfs/dbraw/zinc/91/02/89/563910289.db2.gz YSWNAFLTCUSSSI-UHFFFAOYSA-N -1 0 317.248 5.037 10 0 DKAERM