smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCc1nn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000169340523 197743553 /nfs/dbraw/zinc/74/35/53/197743553.db2.gz WOQIWVCUGUJYTQ-UHFFFAOYSA-N -1 0 314.772 3.755 1 0 DHAFRM CC(=O)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000071770777 191030484 /nfs/dbraw/zinc/03/04/84/191030484.db2.gz SAGXNMAORPXGSC-QRQLOZEOSA-N -1 0 316.397 3.690 1 0 DHAFRM C[C@H](CO)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000095099218 290924777 /nfs/dbraw/zinc/92/47/77/290924777.db2.gz GOADHRDZJUNBQS-XWYOBAOASA-N -1 0 316.441 3.877 1 0 biogenic,in-vitro DHAFRM CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)c1ccccc1C(=O)[O-])C2 ZINC000004833975 181159408 /nfs/dbraw/zinc/15/94/08/181159408.db2.gz BECVJDQNRKFGFN-KQYVJACZSA-N -1 0 302.370 3.756 1 0 DHAFRM O=c1[nH]c2sc(Br)cc2c([O-])c1-c1ccccc1 ZINC000013680013 181878653 /nfs/dbraw/zinc/87/86/53/181878653.db2.gz HHNOCFWOMULCIX-UHFFFAOYSA-N -1 0 322.183 3.725 1 0 DHAFRM O=C([O-])Cc1nc(-c2ccc(F)cc2)oc1-c1cccs1 ZINC000027086758 182462011 /nfs/dbraw/zinc/46/20/11/182462011.db2.gz KYYRZFQNVIBNFG-UHFFFAOYSA-N -1 0 303.314 3.836 1 0 DHAFRM O=C([O-])c1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1 ZINC000029042675 182549111 /nfs/dbraw/zinc/54/91/11/182549111.db2.gz OZSYMOFAQHDNQJ-UHFFFAOYSA-N -1 0 324.315 3.801 1 0 DHAFRM CCN(CC)C(=S)Nc1sc2ccccc2c1C(=O)[O-] ZINC000043077805 183334165 /nfs/dbraw/zinc/33/41/65/183334165.db2.gz DILOLRJPQSGFKE-UHFFFAOYSA-N -1 0 308.428 3.638 1 0 DHAFRM CC/C=C\C[C@@H]1O[C@@H]1[C@H](O)/C=C/CCCCCCCC(=O)[O-] ZINC000085695226 574416761 /nfs/dbraw/zinc/41/67/61/574416761.db2.gz XHMGEKKHSKIGMI-ANXVCQGBSA-N -1 0 310.434 3.843 1 0 endogenous,in-man DHAFRM Cc1[nH]nc(C(=O)[O-])c1Cc1ccc(Oc2ccccc2)cc1 ZINC000095555929 185379568 /nfs/dbraw/zinc/37/95/68/185379568.db2.gz ZPWVIARENMOFMX-UHFFFAOYSA-N -1 0 308.337 3.799 1 0 DHAFRM CC[C@@]1(C)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000002003280 180905395 /nfs/dbraw/zinc/90/53/95/180905395.db2.gz GCWIEWHVHGXXHE-AWEZNQCLSA-N -1 0 317.168 3.612 1 0 DHAFRM Fc1cccc2sc([N-]c3nnc(-c4ccco4)o3)nc21 ZINC000003959016 181059942 /nfs/dbraw/zinc/05/99/42/181059942.db2.gz GAMMRBPIJMZJKC-UHFFFAOYSA-N -1 0 302.290 3.822 3 0 aggregator DHAFRM Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)[O-])c(C)c12 ZINC000004992299 181186790 /nfs/dbraw/zinc/18/67/90/181186790.db2.gz IPTLOKISWIMWAH-UHFFFAOYSA-N -1 0 323.396 3.671 3 0 DHAFRM CC(=O)c1cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2s1 ZINC000026395191 182439855 /nfs/dbraw/zinc/43/98/55/182439855.db2.gz OJWLCGPCMGKVSX-UHFFFAOYSA-N -1 0 319.165 3.874 1 0 DHAFRM Cc1ncsc1/C=C/c1ccc([C@@H](O)CCC(=O)[O-])cc1 ZINC000045496800 183511919 /nfs/dbraw/zinc/51/19/19/183511919.db2.gz DTELOEZOJRJFMT-PXYYCUNGSA-N -1 0 303.383 3.520 1 0 DHAFRM CCCCCC[C@@H]1[C@H]2C=C[C@H]3C(C(=O)[O-])=C[C@H](O)[C@@H]4C[C@@H]1[C@@H]2[C@H]43 ZINC000095589753 185382185 /nfs/dbraw/zinc/38/21/85/185382185.db2.gz CFVWGWLCFBEENY-VTUNUVLBSA-N -1 0 316.441 3.643 1 0 DHAFRM CCCC[C@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)[O-] ZINC000072109015 191037571 /nfs/dbraw/zinc/03/75/71/191037571.db2.gz KLZOBIRHWKLWSZ-INIZCTEOSA-N -1 0 321.417 3.501 1 0 DHAFRM Cc1ccc(CSc2nc3ccccc3n2CC(=O)[O-])cc1 ZINC000084654071 192451049 /nfs/dbraw/zinc/45/10/49/192451049.db2.gz PQHCWSCRNJBPEZ-UHFFFAOYSA-N -1 0 312.394 3.722 1 0 DHAFRM COc1ccc(C(=O)[O-])c2c1C[C@@](C)([C@H]1CC=C(C)CC1)O2 ZINC000026493911 182443579 /nfs/dbraw/zinc/44/35/79/182443579.db2.gz KOQXWCDWJCHVBV-SGTLLEGYSA-N -1 0 302.370 3.833 1 0 DHAFRM O=C([O-])c1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)o1 ZINC000040584976 183106050 /nfs/dbraw/zinc/10/60/50/183106050.db2.gz DNPCNDMAQFCNCK-UHFFFAOYSA-N -1 0 321.332 3.575 1 0 DHAFRM O=C([O-])c1cccc(-c2csc([C@H](O)c3ccccc3)n2)c1 ZINC000061903199 184193541 /nfs/dbraw/zinc/19/35/41/184193541.db2.gz QLOGZMBLSKYRGI-OAHLLOKOSA-N -1 0 311.362 3.590 3 0 DHAFRM Nc1sc(-c2ccc(C(=O)[O-])cc2)c2c1C(=O)c1ccccc1-2 ZINC000064479874 184298004 /nfs/dbraw/zinc/29/80/04/184298004.db2.gz RPKORLMTCZNBMP-UHFFFAOYSA-N -1 0 321.357 3.907 1 0 DHAFRM CC(C)(C)c1cc(C=C2OC(=O)[N-]C2=O)cc(C(C)(C)C)c1O ZINC000013734202 581095005 /nfs/dbraw/zinc/09/50/05/581095005.db2.gz JBRIUIQTRLLQOW-LCYFTJDESA-N -1 0 317.385 3.595 1 0 DHAFRM Cc1[nH]nc(C(=O)[O-])c1Cc1cccc(-c2cccc(F)c2)c1 ZINC000095556622 185379733 /nfs/dbraw/zinc/37/97/33/185379733.db2.gz IIPZVPXHUFWPFQ-UHFFFAOYSA-N -1 0 310.328 3.813 1 0 DHAFRM CC(C)(C)c1ccc(CSc2nc(N)c(Cl)c(=O)[n-]2)cc1 ZINC000082157691 185174011 /nfs/dbraw/zinc/17/40/11/185174011.db2.gz CALRVJUNFWDLKX-UHFFFAOYSA-N -1 0 323.849 3.595 1 0 DHAFRM Cc1[n-]n(-c2ccccn2)c(=O)c1-c1cccc(C(F)(F)F)c1 ZINC000082159220 185174082 /nfs/dbraw/zinc/17/40/82/185174082.db2.gz BSZIHLCWMLVXCW-UHFFFAOYSA-N -1 0 319.286 3.555 1 0 DHAFRM O=C([O-])c1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000148241218 186043672 /nfs/dbraw/zinc/04/36/72/186043672.db2.gz DZRRFNYOVVYAFU-UHFFFAOYSA-N -1 0 320.270 3.802 1 0 DHAFRM CC(=O)c1cc(C=CC(C)(C)O)c([O-])c(C(=O)CC(C)C)c1 ZINC000014455731 290920770 /nfs/dbraw/zinc/92/07/70/290920770.db2.gz PWVHOWFSWUREIY-VOTSOKGWSA-N -1 0 304.386 3.608 1 0 biogenic,in-vitro DHAFRM CCC[C@]1(CC(=O)[O-])OCCc2c3ccc(Cl)cc3[nH]c21 ZINC000039198733 183014954 /nfs/dbraw/zinc/01/49/54/183014954.db2.gz PZDDYNJASHTEKO-MRXNPFEDSA-N -1 0 307.777 3.864 1 0 DHAFRM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2n1 ZINC000040380053 183058497 /nfs/dbraw/zinc/05/84/97/183058497.db2.gz IEBPNCJONPVRGL-LBPRGKRZSA-N -1 0 324.355 3.879 1 0 DHAFRM CC(C)c1ccc(-c2ccc(-n3cc(C(=O)[O-])cn3)nc2)cc1 ZINC000040584481 183105217 /nfs/dbraw/zinc/10/52/17/183105217.db2.gz GPMPWWLOCVKUKY-UHFFFAOYSA-N -1 0 307.353 3.756 1 0 DHAFRM CC/C=C\C[C@@H]1O[C@H]1[C@H](O)/C=C/CCCCCCCC(=O)[O-] ZINC000085695221 574416744 /nfs/dbraw/zinc/41/67/44/574416744.db2.gz XHMGEKKHSKIGMI-KPCROUAVSA-N -1 0 310.434 3.843 1 0 endogenous,in-man DHAFRM CCCCCC[C@@H]1[C@H]2C=C[C@H]3C(C(=O)[O-])=C[C@@H](O)[C@@H]4C[C@@H]1[C@@H]2[C@H]43 ZINC000095586410 185381753 /nfs/dbraw/zinc/38/17/53/185381753.db2.gz CFVWGWLCFBEENY-YCJWGMIRSA-N -1 0 316.441 3.643 1 0 DHAFRM Cc1ccc(NC(=O)c2c([O-])cc(-c3ccccc3)oc2=O)cc1 ZINC000103276737 185443336 /nfs/dbraw/zinc/44/33/36/185443336.db2.gz VJEIBVBVVHVIJK-UHFFFAOYSA-N -1 0 321.332 3.573 1 0 DHAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccsc1 ZINC000072173366 191069787 /nfs/dbraw/zinc/06/97/87/191069787.db2.gz PFRGYEDKDLTOGY-HNNXBMFYSA-N -1 0 308.358 3.862 1 0 DHAFRM C[C@@]12[C@@H]3C[C@@H]4[C@](C[C@@H]31)(CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]41C)[C@@H]2O ZINC000084154223 290924780 /nfs/dbraw/zinc/92/47/80/290924780.db2.gz MHVNHDYWKUKRRJ-UXFRUBCJSA-N -1 0 318.457 3.701 1 0 biogenic,in-vitro DHAFRM C[C@H](C(=O)[O-])c1cc2ccoc2c(C(=O)c2ccc(C=O)cc2)c1 ZINC000026391929 182440108 /nfs/dbraw/zinc/44/01/08/182440108.db2.gz UBEDBFIQMQXEPY-NSHDSACASA-N -1 0 322.316 3.664 1 0 DHAFRM Cc1ccc2ncc(Oc3ccc(O[C@H](C)C(=O)[O-])cc3)nc2c1 ZINC000029464163 182566317 /nfs/dbraw/zinc/56/63/17/182566317.db2.gz KNRQGSUFPZCPSN-GFCCVEGCSA-N -1 0 324.336 3.582 1 0 DHAFRM Cc1ccc2c(nc(-c3ccc(N)cc3)c(O)c2C(=O)[O-])c1C ZINC000035086897 182751496 /nfs/dbraw/zinc/75/14/96/182751496.db2.gz VYELECGMFXTUID-UHFFFAOYSA-N -1 0 308.337 3.505 1 0 DHAFRM CC[C@@H]1C(=O)c2c(cc(OCC(=O)[O-])c(Cl)c2Cl)[C@H]1C ZINC000039220262 183015581 /nfs/dbraw/zinc/01/55/81/183015581.db2.gz NOMRRDKUINFIFP-BQBZGAKWSA-N -1 0 317.168 3.783 1 0 DHAFRM CC[C@H]1C(=O)c2c(cc(OCC(=O)[O-])c(Cl)c2Cl)[C@@H]1C ZINC000039220263 183015826 /nfs/dbraw/zinc/01/58/26/183015826.db2.gz NOMRRDKUINFIFP-RNFRBKRXSA-N -1 0 317.168 3.783 1 0 DHAFRM C[C@]12CC[C@H](c3cc(F)c([O-])c(F)c3F)C[C@H]1CC[C@@H]2O ZINC000066102049 184389489 /nfs/dbraw/zinc/38/94/89/184389489.db2.gz YBEWPYOAFFTAGI-YFESCLGYSA-N -1 0 300.320 3.854 1 0 in-vitro DHAFRM O=C([O-])c1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000101354288 958358282 /nfs/dbraw/zinc/35/82/82/958358282.db2.gz WJAKPXYUGCZESW-UHFFFAOYSA-N -1 0 320.320 3.832 1 0 DHAFRM C[C@@H](CO)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C ZINC000096929966 185392324 /nfs/dbraw/zinc/39/23/24/185392324.db2.gz GOADHRDZJUNBQS-KORVSZGISA-N -1 0 316.441 3.877 1 0 DHAFRM O=C([O-])c1cc(-c2cc3ccccc3o2)nn1-c1ccccc1 ZINC000003305748 181002862 /nfs/dbraw/zinc/00/28/62/181002862.db2.gz BDBWWMUYOFERSJ-UHFFFAOYSA-N -1 0 304.305 3.984 3 0 DHAFRM O=C([O-])[C@H]1CCn2c1cc(Cl)c2C(=O)c1ccc(Cl)cc1 ZINC000027898652 182496375 /nfs/dbraw/zinc/49/63/75/182496375.db2.gz SBIVNFOVUATYAZ-JTQLQIEISA-N -1 0 324.163 3.598 1 0 DHAFRM O=C([O-])Cc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1 ZINC000029126350 182552562 /nfs/dbraw/zinc/55/25/62/182552562.db2.gz PXWBHIUETTVGGD-UHFFFAOYSA-N -1 0 305.337 3.514 1 0 DHAFRM COc1ccc(-c2c([O-])c3ccccc3oc2=O)cc1Cl ZINC000082158318 185174118 /nfs/dbraw/zinc/17/41/18/185174118.db2.gz LPWGIOPIJFFKOY-UHFFFAOYSA-N -1 0 302.713 3.828 1 0 DHAFRM O=C([O-])[C@@H](Cc1cccc(F)c1)Oc1ccc(Cl)cc1F ZINC000073312844 191303658 /nfs/dbraw/zinc/30/36/58/191303658.db2.gz HVDJHNLZHYQTLC-CQSZACIVSA-N -1 0 312.699 3.693 1 0 DHAFRM COc1ccc(NC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000013531895 181858893 /nfs/dbraw/zinc/85/88/93/181858893.db2.gz IGVRXEWRIRSEMV-UHFFFAOYSA-N -1 0 320.732 3.691 1 0 DHAFRM CC1=CCc2c(O)c(C(=O)[O-])c(CCc3ccccc3)cc2OC1 ZINC000014685084 181965594 /nfs/dbraw/zinc/96/55/94/181965594.db2.gz MHZSOCMWYDLRRH-UHFFFAOYSA-N -1 0 324.376 3.757 1 0 DHAFRM Cc1ccc(Cl)c2c1SCc1c(=O)cc(C(=O)[O-])oc1-2 ZINC000028769333 182538753 /nfs/dbraw/zinc/53/87/53/182538753.db2.gz CFXLFUKHTCITKV-UHFFFAOYSA-N -1 0 308.742 3.573 1 0 DHAFRM O=C([O-])CCCCCc1nc2c(s1)c(F)cc(F)c2F ZINC000029402640 182564711 /nfs/dbraw/zinc/56/47/11/182564711.db2.gz JCWGRMDOLOKANZ-UHFFFAOYSA-N -1 0 303.305 3.901 1 0 DHAFRM Cc1ccc2c([O-])c(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2n1 ZINC000040380054 183058693 /nfs/dbraw/zinc/05/86/93/183058693.db2.gz IEBPNCJONPVRGL-GFCCVEGCSA-N -1 0 324.355 3.879 1 0 DHAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccc(F)cc1 ZINC000040423024 183065418 /nfs/dbraw/zinc/06/54/18/183065418.db2.gz KXAITWJWQUGLDP-KRWDZBQOSA-N -1 0 320.319 3.940 1 0 DHAFRM CCC[C@@H](CC1(C(=O)Nc2cc(C)ccn2)CCCC1)C(=O)[O-] ZINC000040566814 183103541 /nfs/dbraw/zinc/10/35/41/183103541.db2.gz RMFYECKSPNKOHX-AWEZNQCLSA-N -1 0 318.417 3.780 1 0 DHAFRM CCCc1oc2ccccc2c(=O)c1C(=O)c1ccc([O-])cc1 ZINC000040876063 183145160 /nfs/dbraw/zinc/14/51/60/183145160.db2.gz PIIUJRTVLCEDFP-UHFFFAOYSA-N -1 0 308.333 3.682 1 0 DHAFRM CCc1c(Cl)ccc2c1C=C(C(=O)[O-])[C@H](C(F)(F)F)O2 ZINC000066259969 184399473 /nfs/dbraw/zinc/39/94/73/184399473.db2.gz PXUXFWBDDCARPY-LLVKDONJSA-N -1 0 306.667 3.694 1 0 DHAFRM O=C([O-])COc1ccc(-c2nccs2)cc1-c1ccccc1 ZINC000071340339 518201499 /nfs/dbraw/zinc/20/14/99/518201499.db2.gz HDZASNXPWCPDLU-UHFFFAOYSA-N -1 0 311.362 3.941 1 0 DHAFRM CC/C=C\C[C@@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)[O-] ZINC000034961802 571752647 /nfs/dbraw/zinc/75/26/47/571752647.db2.gz RGRKFKRAFZJQMS-TXWITMCUSA-N -1 0 312.450 3.826 1 0 endogenous,in-man DHAFRM CC/C=C\C[C@@H]1O[C@@H]1[C@@H](O)/C=C/CCCCCCCC(=O)[O-] ZINC000015165678 574413846 /nfs/dbraw/zinc/41/38/46/574413846.db2.gz XHMGEKKHSKIGMI-OMAQTXTESA-N -1 0 310.434 3.843 1 0 endogenous,in-man DHAFRM CCCCCCC(=O)Nc1ccc([C@H](F)[P@@](=O)([O-])O)cc1 ZINC000072104876 191036535 /nfs/dbraw/zinc/03/65/35/191036535.db2.gz MYFQPMKFKNWBIR-CQSZACIVSA-N -1 0 317.297 3.741 1 0 DHAFRM Cc1[nH]nc(C(=O)[O-])c1Cc1cccc(-c2ccc(F)cc2)c1 ZINC000072317474 191121030 /nfs/dbraw/zinc/12/10/30/191121030.db2.gz RTGBSTJGKOHKPO-UHFFFAOYSA-N -1 0 310.328 3.813 1 0 DHAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1cccc(C(F)(F)F)c1 ZINC000073295120 191301097 /nfs/dbraw/zinc/30/10/97/191301097.db2.gz NNGOCJYFFSOKRY-AWEZNQCLSA-N -1 0 310.271 3.780 1 0 DHAFRM CC(=CCc1ccc2cc(O)ccc2c1)C1SC(=O)N=C1[O-] ZINC000026654583 182449324 /nfs/dbraw/zinc/44/93/24/182449324.db2.gz CDLARGAXOGVZPB-XNTDXEJSSA-N -1 0 313.378 3.735 1 0 DHAFRM CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc(CO)o1 ZINC000027762721 182490662 /nfs/dbraw/zinc/49/06/62/182490662.db2.gz JPTQPZIPDXUKGD-CHHVJCJISA-N -1 0 314.312 3.713 1 0 DHAFRM O=C([O-])CC1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccccc1 ZINC000029462073 182566095 /nfs/dbraw/zinc/56/60/95/182566095.db2.gz PMOCQVNGDUMQFF-MRXNPFEDSA-N -1 0 324.405 3.503 1 0 DHAFRM O=S(=O)([O-])Oc1cccc2cccc(Nc3ccccc3)c21 ZINC000031707991 182620812 /nfs/dbraw/zinc/62/08/12/182620812.db2.gz XCXVLPCQWWFEQW-UHFFFAOYSA-N -1 0 315.350 3.765 1 0 in-vivo DHAFRM CC1(C)OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccs2)O1 ZINC000036242153 182810709 /nfs/dbraw/zinc/81/07/09/182810709.db2.gz IPRRYNRVTYZLSE-OVJPTDFGSA-N -1 0 310.415 3.999 1 0 DHAFRM O=C([O-])CCSc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000064453409 184297603 /nfs/dbraw/zinc/29/76/03/184297603.db2.gz LMJFZBZUEQBYSN-UHFFFAOYSA-N -1 0 324.471 3.573 1 0 DHAFRM C[C@@H](Sc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C(=O)[O-] ZINC000064453407 184297622 /nfs/dbraw/zinc/29/76/22/184297622.db2.gz FTFOUCNNSWHSRQ-HALIQOIHSA-N -1 0 324.471 3.571 1 0 DHAFRM CCOc1c(Cl)ccc2c1C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2 ZINC000066258920 184399438 /nfs/dbraw/zinc/39/94/38/184399438.db2.gz RAUHJZIFSGEZOO-NSHDSACASA-N -1 0 322.666 3.530 1 0 DHAFRM CCCCC/C=C\C/C=C\[C@H](O)[C@H](O)CCCCCC(=O)[O-] ZINC000004097381 560194576 /nfs/dbraw/zinc/19/45/76/560194576.db2.gz NMONGVDUESEHOK-SJFCTSOOSA-N -1 0 312.450 3.826 1 0 in-vitro DHAFRM C[C@@]12[C@@H]3C[C@@H]4[C@](C[C@@H]31)(CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]14C)[C@@H]2O ZINC000100781195 571835000 /nfs/dbraw/zinc/83/50/00/571835000.db2.gz MHVNHDYWKUKRRJ-XXIFSLTRSA-N -1 0 318.457 3.701 1 0 endogenous,in-man DHAFRM O=C([O-])CCCc1cn(C(=O)c2ccccc2)c2ccccc12 ZINC000103198094 185438054 /nfs/dbraw/zinc/43/80/54/185438054.db2.gz VQIBZYNSNIXOND-UHFFFAOYSA-N -1 0 307.349 3.737 1 0 DHAFRM Cc1cccc(-c2cc3ncnc(SCC(=O)[O-])c3s2)c1 ZINC000072124618 191042088 /nfs/dbraw/zinc/04/20/88/191042088.db2.gz IGHHCCUUDKBIKS-UHFFFAOYSA-N -1 0 316.407 3.843 1 0 DHAFRM Cc1ccc(-c2cc3ncnc(SCC(=O)[O-])c3s2)cc1 ZINC000072122982 191042130 /nfs/dbraw/zinc/04/21/30/191042130.db2.gz CRTYZZCXBGWMMU-UHFFFAOYSA-N -1 0 316.407 3.843 1 0 DHAFRM CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)c1ccccc1C(=O)[O-] ZINC000005977540 181303000 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C[C@H](C(=O)[O-])c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027558727 182477425 /nfs/dbraw/zinc/47/74/25/182477425.db2.gz XPJMITWYFJZDQM-UHTWSYAYSA-N -1 0 304.411 3.970 1 0 DHAFRM CC[C@H](C)c1ccc2c(c1)-c1[nH]c(C(=O)[O-])cc(=O)c1CS2 ZINC000028768228 182538588 /nfs/dbraw/zinc/53/85/88/182538588.db2.gz TVBXIYMOJYTMQG-VIFPVBQESA-N -1 0 315.394 3.859 1 0 DHAFRM C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H]2C(=O)[O-] ZINC000036386564 182821629 /nfs/dbraw/zinc/82/16/29/182821629.db2.gz RQBKBIKJUFWGDW-JUAXIXHSSA-N -1 0 306.446 3.701 3 0 DHAFRM CC(=O)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000039047826 183013985 /nfs/dbraw/zinc/01/39/85/183013985.db2.gz SAGXNMAORPXGSC-BHIYHBOVSA-N -1 0 316.397 3.690 1 0 DHAFRM CC[C@@H]1C(=O)c2c(cc(OCC(=O)[O-])c(Cl)c2Cl)[C@@H]1C ZINC000039220264 183015909 /nfs/dbraw/zinc/01/59/09/183015909.db2.gz NOMRRDKUINFIFP-RQJHMYQMSA-N -1 0 317.168 3.783 1 0 DHAFRM O=C([O-])C1=Cc2c(Cl)ccc(Cl)c2O[C@H]1C(F)(F)F ZINC000064550056 184299454 /nfs/dbraw/zinc/29/94/54/184299454.db2.gz UVXFRIHTEHOWRN-SECBINFHSA-N -1 0 313.058 3.785 1 0 DHAFRM CC/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCCCCCC(=O)[O-] ZINC000034961796 571752559 /nfs/dbraw/zinc/75/25/59/571752559.db2.gz QRHSEDZBZMZPOA-VLHUJMHNSA-N -1 0 312.450 3.826 1 0 endogenous,in-man DHAFRM COc1ccc(-c2c([O-])c3cc(Cl)ccc3oc2=O)cc1 ZINC000082158317 185174099 /nfs/dbraw/zinc/17/40/99/185174099.db2.gz IODSDLDGPBTFRD-UHFFFAOYSA-N -1 0 302.713 3.828 1 0 DHAFRM COc1ccccc1-c1cc2cc(/C=C/C(=O)[O-])cc(O)c2o1 ZINC000096934946 185392761 /nfs/dbraw/zinc/39/27/61/185392761.db2.gz SKJGSHFZZQJEHW-VOTSOKGWSA-N -1 0 310.305 3.912 1 0 DHAFRM CN(C)c1ccc(-c2cc3cc(/C=C/C(=O)[O-])cc(O)c3o2)cc1 ZINC000096934951 185392854 /nfs/dbraw/zinc/39/28/54/185392854.db2.gz BREJHKUDWGBPLD-FPYGCLRLSA-N -1 0 323.348 3.969 1 0 DHAFRM CC1(C)Oc2cc3oc(=O)cc([O-])c3cc2-c2ccc(F)cc21 ZINC000169318460 197740984 /nfs/dbraw/zinc/74/09/84/197740984.db2.gz FSKDIZKSFRJGDM-UHFFFAOYSA-N -1 0 312.296 3.932 1 0 DHAFRM COc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)coc21 ZINC000072108159 191037742 /nfs/dbraw/zinc/03/77/42/191037742.db2.gz GJEOIYRANHOVOO-UHFFFAOYSA-N -1 0 302.713 3.828 1 0 DHAFRM COc1ccc([N-]C(=S)O[C@@H](C)COc2ccccc2)cc1 ZINC000040979968 183154479 /nfs/dbraw/zinc/15/44/79/183154479.db2.gz VRDZZNLULFVZRP-ZDUSSCGKSA-N -1 0 317.410 3.876 1 0 DHAFRM Cc1cc(Cl)c(C)c2c1O[C@H](C(F)(F)F)C(C(=O)[O-])=C2 ZINC000064550047 184299510 /nfs/dbraw/zinc/29/95/10/184299510.db2.gz SRHADSQOELLZQS-NSHDSACASA-N -1 0 306.667 3.748 1 0 DHAFRM O=C([O-])c1c(O)c(-c2c[nH]c3ccccc32)nc2ccccc21 ZINC000095586494 185381672 /nfs/dbraw/zinc/38/16/72/185381672.db2.gz YGEYRAADRXSBCR-UHFFFAOYSA-N -1 0 304.305 3.787 1 0 DHAFRM O=C([O-])/C=C/C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000096926868 185391904 /nfs/dbraw/zinc/39/19/04/185391904.db2.gz TXAVWJPQLQFEGD-CMDGGOBGSA-N -1 0 324.361 3.543 1 0 DHAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1cccs1 ZINC000072170743 191068331 /nfs/dbraw/zinc/06/83/31/191068331.db2.gz IZOLVAZBHOITTR-CQSZACIVSA-N -1 0 308.358 3.862 1 0 DHAFRM CC(C)Oc1ccc2c(c1)C(=O)c1ccc(C(=O)[O-])cc1CC2 ZINC000144462126 186035237 /nfs/dbraw/zinc/03/52/37/186035237.db2.gz JDIYNKQPCWDFFI-UHFFFAOYSA-N -1 0 310.349 3.502 1 0 DHAFRM CCCCc1nc(Cl)c2n1Cc1ccc(C(=O)[O-])cc1OC2 ZINC000013451196 181851551 /nfs/dbraw/zinc/85/15/51/181851551.db2.gz LEEOFTUVOPJESR-UHFFFAOYSA-N -1 0 320.776 3.518 1 0 DHAFRM CC(=O)S[C@@H](Cc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC000026569723 182446032 /nfs/dbraw/zinc/44/60/32/182446032.db2.gz VBCZYDDFKUBHIO-INIZCTEOSA-N -1 0 314.362 3.861 1 0 DHAFRM CCCc1cccc2c(/C=C(\C)C(=O)[O-])cc(OC)c(O)c12 ZINC000026579367 182447511 /nfs/dbraw/zinc/44/75/11/182447511.db2.gz LZQPORMPGNLGRR-PKNBQFBNSA-N -1 0 300.354 3.994 1 0 DHAFRM COc1cccc(-c2cc3cc(/C=C/C(=O)[O-])cc(O)c3o2)c1 ZINC000096934947 185392793 /nfs/dbraw/zinc/39/27/93/185392793.db2.gz BSTPVSYGUHJARO-AATRIKPKSA-N -1 0 310.305 3.912 1 0 DHAFRM CC(=O)CCCCCCCCCCc1c([O-])ccc(C)[n+]1[O-] ZINC000014490921 290920527 /nfs/dbraw/zinc/92/05/27/290920527.db2.gz NXOSJVNWDRQXAO-UHFFFAOYSA-N -1 0 307.434 3.976 1 0 biogenic,in-vitro DHAFRM O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cccc(O)c2[n-]1 ZINC000073197094 191291311 /nfs/dbraw/zinc/29/13/11/191291311.db2.gz NJKAVCZOYJQNDR-UHFFFAOYSA-N -1 0 314.728 3.552 1 0 DHAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccccc1C(F)(F)F ZINC000073295124 191301255 /nfs/dbraw/zinc/30/12/55/191301255.db2.gz JCMORGCVUQVSRU-CQSZACIVSA-N -1 0 310.271 3.780 1 0 DHAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC1 ZINC000013588410 181866347 /nfs/dbraw/zinc/86/63/47/181866347.db2.gz DTEOMSBAXBZVCH-UHFFFAOYSA-N -1 0 307.353 3.912 1 0 DHAFRM COc1cc(-c2cc(=S)ss2)ccc1OCC(=O)[O-] ZINC000049803092 183759186 /nfs/dbraw/zinc/75/91/86/183759186.db2.gz OMBTXMCRLLPTOW-UHFFFAOYSA-N -1 0 314.409 3.678 1 0 DHAFRM C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@@H]3C[C@H]4[C@H]5C[C@@]3(C[C@]54CO)CC[C@@H]12 ZINC000049807792 183760350 /nfs/dbraw/zinc/76/03/50/183760350.db2.gz JNSJEJASVIFCDB-VAHOTRIISA-N -1 0 318.457 3.702 1 0 DHAFRM Cc1c(C)c2c(cc1O)CC[C@@](C)(CCC[C@@H](C)C(=O)[O-])O2 ZINC000085589174 571784306 /nfs/dbraw/zinc/78/43/06/571784306.db2.gz CNGKBUHOCIWLHJ-ADLMAVQZSA-N -1 0 306.402 3.984 1 0 endogenous,in-man DHAFRM COc1ccc(C2(CC(=O)[O-])C3CC4CC(C3)CC2C4)cc1 ZINC000073121085 191279854 /nfs/dbraw/zinc/27/98/54/191279854.db2.gz QLUCKVGEYHYZQX-UHFFFAOYSA-N -1 0 300.398 3.864 1 0 DHAFRM CC(C)(C)Nc1c(-c2ccc(C(=O)[O-])cc2)nc2ccccn21 ZINC000073196907 191290531 /nfs/dbraw/zinc/29/05/31/191290531.db2.gz IUOQJYAQYVEYIT-UHFFFAOYSA-N -1 0 309.369 3.910 1 0 DHAFRM Cc1cccc(Oc2cc(Cl)nc(SCC(=O)[O-])n2)c1C ZINC000003961106 181059399 /nfs/dbraw/zinc/05/93/99/181059399.db2.gz LCHHVOWFKUIKMX-UHFFFAOYSA-N -1 0 324.789 3.716 1 0 DHAFRM O=C([O-])c1ccc(-c2nn(-c3ccccc3)c3ccccc32)o1 ZINC000013864641 181908252 /nfs/dbraw/zinc/90/82/52/181908252.db2.gz LLDIRAWJYVLFLS-UHFFFAOYSA-N -1 0 304.305 3.984 1 0 DHAFRM CCCCC[C@@H](O)/C=C/[C@H]1CCC[C@@](O)(CCCC(=O)[O-])C1 ZINC000026405056 182440856 /nfs/dbraw/zinc/44/08/56/182440856.db2.gz QFCVPPANICHFQZ-WPKNHWDESA-N -1 0 312.450 3.660 1 0 DHAFRM CC(C)(OCc1ncsc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000027872825 182494107 /nfs/dbraw/zinc/49/41/07/182494107.db2.gz FWYCOWCLIMAELB-UHFFFAOYSA-N -1 0 311.790 3.843 1 0 DHAFRM Cc1cccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)c1 ZINC000045364484 183501674 /nfs/dbraw/zinc/50/16/74/183501674.db2.gz ZHJHHHSFBFWBLR-OAHLLOKOSA-N -1 0 313.378 3.681 1 0 DHAFRM CN(C)c1nc2ccc(Nc3ccccc3C(=O)[O-])cc2s1 ZINC000058575222 184122848 /nfs/dbraw/zinc/12/28/48/184122848.db2.gz OLTFDXJKWCDLPD-UHFFFAOYSA-N -1 0 313.382 3.804 1 0 DHAFRM Cc1cc(Cl)c(C)c2c1O[C@@H](C(F)(F)F)C(C(=O)[O-])=C2 ZINC000064550048 184299555 /nfs/dbraw/zinc/29/95/55/184299555.db2.gz SRHADSQOELLZQS-LLVKDONJSA-N -1 0 306.667 3.748 1 0 DHAFRM O=C([O-])C1=Cc2c(Cl)ccc(Cl)c2O[C@@H]1C(F)(F)F ZINC000064550057 184299574 /nfs/dbraw/zinc/29/95/74/184299574.db2.gz UVXFRIHTEHOWRN-VIFPVBQESA-N -1 0 313.058 3.785 1 0 DHAFRM Cc1nc2c(-c3ccccc3)c[n-]n2c(=O)c1Cc1ccccc1 ZINC000103851396 257121140 /nfs/dbraw/zinc/12/11/40/257121140.db2.gz KOBAFZDXTCZKGT-UHFFFAOYSA-N -1 0 315.376 3.589 3 0 DHAFRM CC(C)(C)c1cc(-c2n[n-]c(=NC#N)o2)cc(C(C)(C)C)c1O ZINC000013796344 581095046 /nfs/dbraw/zinc/09/50/46/581095046.db2.gz XHFSJZHATNKAKR-UHFFFAOYSA-N -1 0 314.389 3.930 1 0 DHAFRM Cc1[nH]nc(C(=O)[O-])c1Cc1ccccc1-c1ccc(F)cc1 ZINC000095557651 185379803 /nfs/dbraw/zinc/37/98/03/185379803.db2.gz WIMWQDROQVFYGO-UHFFFAOYSA-N -1 0 310.328 3.813 1 0 DHAFRM Cc1cccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)c1 ZINC000045364487 183501456 /nfs/dbraw/zinc/50/14/56/183501456.db2.gz ZHJHHHSFBFWBLR-HNNXBMFYSA-N -1 0 313.378 3.681 1 0 DHAFRM CC/C=C\C/C=C\C[C@H](O)[C@H](O)CCCCCCCC(=O)[O-] ZINC000034961794 571752546 /nfs/dbraw/zinc/75/25/46/571752546.db2.gz QRHSEDZBZMZPOA-RVINTLIZSA-N -1 0 312.450 3.826 1 0 endogenous,in-man DHAFRM CCCCCCc1sc2[n-]c(C(=O)OCC)nc(=O)c2c1C ZINC000148607083 186045004 /nfs/dbraw/zinc/04/50/04/186045004.db2.gz SGPDIRDIOFLAJN-UHFFFAOYSA-N -1 0 322.430 3.593 1 0 DHAFRM CC(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC000003994813 181060508 /nfs/dbraw/zinc/06/05/08/181060508.db2.gz VBCZYDDFKUBHIO-MRXNPFEDSA-N -1 0 314.362 3.861 1 0 DHAFRM O=C([O-])CCC/C=C\C[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1c1cccnc1 ZINC000029479366 182566943 /nfs/dbraw/zinc/56/69/43/182566943.db2.gz JLGPVLXAGNEAGZ-OXUBAZPMSA-N -1 0 301.386 3.544 1 0 DHAFRM O=c1c2c([n-]n1-c1nc3ccccc3s1)CCc1ccccc1-2 ZINC000101463414 193814534 /nfs/dbraw/zinc/81/45/34/193814534.db2.gz ULLPFSLRPLXCBV-UHFFFAOYSA-N -1 0 319.389 3.953 1 0 DHAFRM CSc1ccc(-c2ccc(CC[C@@H](O)CC(=O)[O-])cc2)cc1 ZINC000045298508 183496249 /nfs/dbraw/zinc/49/62/49/183496249.db2.gz UCRQQCAIDRYGNO-MRXNPFEDSA-N -1 0 316.422 3.844 1 0 DHAFRM Cc1cccc(Nc2nc(-c3ccncc3)c(C(=O)[O-])s2)c1 ZINC000045253920 183491624 /nfs/dbraw/zinc/49/16/24/183491624.db2.gz FNYKBFXZDCANIU-UHFFFAOYSA-N -1 0 311.366 3.955 1 0 DHAFRM Cc1[nH]nc(C(=O)[O-])c1Cc1ccccc1Oc1ccccc1 ZINC000095552331 185379083 /nfs/dbraw/zinc/37/90/83/185379083.db2.gz LCKWSWSGQNHSFX-UHFFFAOYSA-N -1 0 308.337 3.799 1 0 DHAFRM C[C@@H](C(=O)[O-])c1cc2ccoc2c(C(=O)c2ccc(C=O)cc2)c1 ZINC000026391925 182439864 /nfs/dbraw/zinc/43/98/64/182439864.db2.gz UBEDBFIQMQXEPY-LLVKDONJSA-N -1 0 322.316 3.664 1 0 DHAFRM CC[C@H]1C(=O)c2c(cc(OCC(=O)[O-])c(Cl)c2Cl)[C@H]1C ZINC000039220261 183015533 /nfs/dbraw/zinc/01/55/33/183015533.db2.gz NOMRRDKUINFIFP-NKWVEPMBSA-N -1 0 317.168 3.783 1 0 DHAFRM CC1(C)[C@H]2CC3=C(C(=O)[O-])[C@H]4C[C@]31[C@@H](CC2)CCCCC4=O ZINC000085549097 560071991 /nfs/dbraw/zinc/07/19/91/560071991.db2.gz UVSWMPRDEHNXIN-HLHCEBLESA-N -1 0 302.414 3.973 1 0 biogenic,in-vitro DHAFRM CC/C=C\C[C@H]1O[C@H]1[C@@H](O)/C=C/CCCCCCCC(=O)[O-] ZINC000015165684 574413862 /nfs/dbraw/zinc/41/38/62/574413862.db2.gz XHMGEKKHSKIGMI-VAUAPRQISA-N -1 0 310.434 3.843 1 0 endogenous,in-man DHAFRM Cc1[nH]nc(C(=O)[O-])c1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000095553389 185379185 /nfs/dbraw/zinc/37/91/85/185379185.db2.gz YQTHWADQHPPUSO-UHFFFAOYSA-N -1 0 310.328 3.813 1 0 DHAFRM Cc1c(Cc2cccc(-c3ccc(F)cc3)c2)c(C(=O)[O-])nn1C ZINC000095556930 185379647 /nfs/dbraw/zinc/37/96/47/185379647.db2.gz MGULYLQWVKDAIB-UHFFFAOYSA-N -1 0 324.355 3.824 1 0 DHAFRM O=C([O-])c1ccsc1NC(=O)Cc1cccc2ccccc21 ZINC000071318777 190957651 /nfs/dbraw/zinc/95/76/51/190957651.db2.gz RLTODRKCBCUMET-UHFFFAOYSA-N -1 0 311.362 3.781 1 0 DHAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1cccs1 ZINC000072170744 191068365 /nfs/dbraw/zinc/06/83/65/191068365.db2.gz IZOLVAZBHOITTR-AWEZNQCLSA-N -1 0 308.358 3.862 1 0 DHAFRM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1-c1ccccc1 ZINC000073224938 191295895 /nfs/dbraw/zinc/29/58/95/191295895.db2.gz GEJOROXXJFSGRX-UHFFFAOYSA-N -1 0 307.378 3.751 1 0 DHAFRM O=C([O-])Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccoc1 ZINC000028221029 182512114 /nfs/dbraw/zinc/51/21/14/182512114.db2.gz VTJUUVAPCCJCNI-UHFFFAOYSA-N -1 0 303.701 3.882 1 0 DHAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1cccc(F)c1 ZINC000040950381 183150807 /nfs/dbraw/zinc/15/08/07/183150807.db2.gz CTKDAFFFTTVTRC-KRWDZBQOSA-N -1 0 320.319 3.940 1 0 DHAFRM Cc1cc2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2[nH]1 ZINC000043021215 183329930 /nfs/dbraw/zinc/32/99/30/183329930.db2.gz DEEHLSDAZNGLAU-UHFFFAOYSA-N -1 0 314.385 3.840 1 0 DHAFRM COc1cc(/C=C/C(=O)[O-])cc2cc(-c3cccc(O)c3)oc21 ZINC000096934930 185392782 /nfs/dbraw/zinc/39/27/82/185392782.db2.gz MEYOLJWUAWAJKP-AATRIKPKSA-N -1 0 310.305 3.912 1 0 DHAFRM O=C([O-])Cc1cc2ccoc2c(C(=O)c2ccc(Cl)cc2)c1 ZINC000026402876 182440606 /nfs/dbraw/zinc/44/06/06/182440606.db2.gz CPUGJEXXTYFBLX-UHFFFAOYSA-N -1 0 314.724 3.944 1 0 DHAFRM COc1ccc(Nc2c3ccsc3ncc2C(=O)[O-])cc1 ZINC000040835769 183139923 /nfs/dbraw/zinc/13/99/23/183139923.db2.gz WHWRTUJEJPTXSZ-UHFFFAOYSA-N -1 0 300.339 3.747 1 0 DHAFRM C[C@H](Sc1nc2ccc(Br)cc2s1)C(=O)[O-] ZINC000045298498 183496209 /nfs/dbraw/zinc/49/62/09/183496209.db2.gz QMYQUPKLDISZDZ-YFKPBYRVSA-N -1 0 318.217 3.624 1 0 DHAFRM CCC1(CCCc2cc(=O)oc3nc(C(F)F)[n-]c(=O)c23)CC1 ZINC000066074626 184387224 /nfs/dbraw/zinc/38/72/24/184387224.db2.gz AXWBLHOWESRPRK-UHFFFAOYSA-N -1 0 324.327 3.739 1 0 DHAFRM O=c1cc(CCC2CCCCC2)c2c(=O)[n-]c(C(F)F)nc2o1 ZINC000066097240 184388566 /nfs/dbraw/zinc/38/85/66/184388566.db2.gz QRVNEYKRNXJDLY-UHFFFAOYSA-N -1 0 324.327 3.739 1 0 DHAFRM C[C@@H]1CC[C@@H]2CC3=C(C(=O)[O-])[C@@H](O)C[C@@]31[C@]2(C)C1CCCC1 ZINC000085549101 560072008 /nfs/dbraw/zinc/07/20/08/560072008.db2.gz VITSFBXKGBBENL-OQVSXNIMSA-N -1 0 304.430 3.765 1 0 biogenic,in-vitro DHAFRM CC/C=C\C/C=C\C[C@H](O)[C@@H](O)CCCCCCCC(=O)[O-] ZINC000034961798 571752338 /nfs/dbraw/zinc/75/23/38/571752338.db2.gz QRHSEDZBZMZPOA-ZQLDCXAZSA-N -1 0 312.450 3.826 1 0 endogenous,in-man DHAFRM C[C@@]1(C(=O)[O-])CCC[C@@]2(C)C3=CC[C@@H]4C[C@]3(CC4=O)CC[C@H]12 ZINC000095587626 185381554 /nfs/dbraw/zinc/38/15/54/185381554.db2.gz QOVATWXVRQCGJR-BMPBXIOVSA-N -1 0 302.414 3.973 1 0 DHAFRM C[C@H](CO)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C ZINC000096929965 185392316 /nfs/dbraw/zinc/39/23/16/185392316.db2.gz GOADHRDZJUNBQS-HSGBFHSBSA-N -1 0 316.441 3.877 1 0 DHAFRM CN(C)c1cccc(-c2cc3cc(/C=C/C(=O)[O-])cc(O)c3o2)c1 ZINC000096934950 185392689 /nfs/dbraw/zinc/39/26/89/185392689.db2.gz FJJBXDDIUNGKJO-VOTSOKGWSA-N -1 0 323.348 3.969 1 0 DHAFRM COc1cc(/C=C/C(=O)[O-])cc2cc(-c3ccccc3O)oc21 ZINC000096934929 185392696 /nfs/dbraw/zinc/39/26/96/185392696.db2.gz FFRKMGGACAONRX-VOTSOKGWSA-N -1 0 310.305 3.912 1 0 DHAFRM COc1ccc(-c2cc3cc(/C=C/C(=O)[O-])cc(O)c3o2)cc1 ZINC000096934948 185392826 /nfs/dbraw/zinc/39/28/26/185392826.db2.gz NQRRHCZYVWREMP-FARCUNLSSA-N -1 0 310.305 3.912 1 0 DHAFRM CCCCCCC(=O)Nc1ccc([C@@H](F)[P@@](=O)([O-])O)cc1 ZINC000072104875 191037144 /nfs/dbraw/zinc/03/71/44/191037144.db2.gz MYFQPMKFKNWBIR-AWEZNQCLSA-N -1 0 317.297 3.741 1 0 DHAFRM COc1ccc([C@H]2CC[C@@H](C(=O)[O-])C2)cc1OC1CCCC1 ZINC000013778868 181895371 /nfs/dbraw/zinc/89/53/71/181895371.db2.gz POFFLEJAIFGGLT-GXTWGEPZSA-N -1 0 304.386 3.985 1 0 DHAFRM COc1ccc(C(=O)[O-])c2c1C[C@@](C)([C@@H]1CC=C(C)CC1)O2 ZINC000026493914 182443922 /nfs/dbraw/zinc/44/39/22/182443922.db2.gz KOQXWCDWJCHVBV-XIKOKIGWSA-N -1 0 302.370 3.833 1 0 DHAFRM Cc1nc2c3c(c(C(=O)[O-])cn2c1C)CC[C@@H](c1ccccc1)O3 ZINC000028867318 182542391 /nfs/dbraw/zinc/54/23/91/182542391.db2.gz ULZLWOFVLVQUIG-INIZCTEOSA-N -1 0 322.364 3.716 1 0 DHAFRM CCC[C@@]1(CC(=O)[O-])OCCc2c3ccc(Cl)cc3[nH]c21 ZINC000039198731 183014968 /nfs/dbraw/zinc/01/49/68/183014968.db2.gz PZDDYNJASHTEKO-INIZCTEOSA-N -1 0 307.777 3.864 1 0 DHAFRM O=C(c1ccc(O)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000040428697 183065483 /nfs/dbraw/zinc/06/54/83/183065483.db2.gz JMIDAZZUWFNEOI-UHFFFAOYSA-N -1 0 321.332 3.782 1 0 DHAFRM Cc1nn(-c2cc(Cl)cc(Cl)c2)c(C)c1CCC(=O)[O-] ZINC000041564473 183203028 /nfs/dbraw/zinc/20/30/28/183203028.db2.gz ZMEZZUXHGLVFLL-UHFFFAOYSA-N -1 0 313.184 3.813 1 0 DHAFRM O=C([O-])c1cc2ccn(Cc3c(F)cc(Cl)cc3F)c2cn1 ZINC000045286799 183495049 /nfs/dbraw/zinc/49/50/49/183495049.db2.gz YMCWOVNTEGWFNM-UHFFFAOYSA-N -1 0 322.698 3.714 1 0 DHAFRM CCCSc1nc2ccc(NC(=O)CCC(=O)[O-])cc2s1 ZINC000003106409 563321923 /nfs/dbraw/zinc/32/19/23/563321923.db2.gz WXPAWXCZGXNAFZ-UHFFFAOYSA-N -1 0 324.427 3.602 1 0 DHAFRM CC/C=C\C/C=C\C[C@@H](O)[C@@H](O)CCCCCCCC(=O)[O-] ZINC000032821839 571744773 /nfs/dbraw/zinc/74/47/73/571744773.db2.gz QRHSEDZBZMZPOA-ODDACQBXSA-N -1 0 312.450 3.826 1 0 endogenous,in-man DHAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccsc1 ZINC000072173365 191069125 /nfs/dbraw/zinc/06/91/25/191069125.db2.gz PFRGYEDKDLTOGY-OAHLLOKOSA-N -1 0 308.358 3.862 1 0 DHAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccccn1)n2-c1ccccc1 ZINC000003626288 181041989 /nfs/dbraw/zinc/04/19/89/181041989.db2.gz PJSCHRRNEKWZPW-UHFFFAOYSA-N -1 0 315.332 3.786 1 0 DHAFRM CCC[C@]1(CC(=O)[O-])OCCc2c1[nH]c1cccc(Cl)c12 ZINC000013586491 181865707 /nfs/dbraw/zinc/86/57/07/181865707.db2.gz HIUCMSOZJUWFMB-MRXNPFEDSA-N -1 0 307.777 3.864 1 0 DHAFRM O=C([O-])[C@@H]1Cc2cc3c(-c4cccs4)noc3c(Cl)c2O1 ZINC000025974997 182426802 /nfs/dbraw/zinc/42/68/02/182426802.db2.gz HPDJRNPKANZUGJ-QMMMGPOBSA-N -1 0 321.741 3.598 1 0 DHAFRM C[C@@]1(O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@H]4C(=O)[O-])CC[C@H]12 ZINC000040412758 183063119 /nfs/dbraw/zinc/06/31/19/183063119.db2.gz RLNDAGRLPOJRPI-ANXUHKRASA-N -1 0 306.446 3.845 1 0 biogenic,in-vitro DHAFRM COc1c(=O)c2cc([O-])c3occc3c2oc1-c1ccccc1 ZINC000014677203 560224131 /nfs/dbraw/zinc/22/41/31/560224131.db2.gz SIUSULOKKLUUCB-UHFFFAOYSA-N -1 0 308.289 3.920 1 0 biogenic,in-vitro DHAFRM CC/C=C\C[C@@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)[O-] ZINC000032821774 571744730 /nfs/dbraw/zinc/74/47/30/571744730.db2.gz RGRKFKRAFZJQMS-XNWHHTTESA-N -1 0 312.450 3.826 1 0 endogenous,in-man DHAFRM COc1cc(/C=C/C(=O)[O-])cc2cc(-c3ccc(O)cc3)oc21 ZINC000096934931 185392828 /nfs/dbraw/zinc/39/28/28/185392828.db2.gz ZDXPGVWLHZYREA-FARCUNLSSA-N -1 0 310.305 3.912 1 0 DHAFRM Cc1cccc(CSc2nc3ccccc3n2CC(=O)[O-])c1 ZINC000084655560 192451552 /nfs/dbraw/zinc/45/15/52/192451552.db2.gz BBLBVEULUZFLGY-UHFFFAOYSA-N -1 0 312.394 3.722 1 0 DHAFRM O=c1oc2ccccc2c([O-])c1CCCOC1CCCCC1 ZINC000013738209 181886880 /nfs/dbraw/zinc/88/68/80/181886880.db2.gz SUNLZCOGAOLQGZ-UHFFFAOYSA-N -1 0 302.370 3.781 1 0 DHAFRM COc1ccc([C@@H]2CC[C@@H](C(=O)[O-])C2)cc1OC1CCCC1 ZINC000013778866 181895340 /nfs/dbraw/zinc/89/53/40/181895340.db2.gz POFFLEJAIFGGLT-TZMCWYRMSA-N -1 0 304.386 3.985 1 0 DHAFRM CC[C@]1(CC(=O)[O-])OCCc2c3ccc(C)c(Cl)c3[nH]c21 ZINC000039198796 183014925 /nfs/dbraw/zinc/01/49/25/183014925.db2.gz WJBDNSRNVJFPOM-MRXNPFEDSA-N -1 0 307.777 3.782 1 0 DHAFRM COc1c(/C=C/C(C)(C)O)cc(C(=O)[O-])cc1CC=C(C)C ZINC000040845662 183141294 /nfs/dbraw/zinc/14/12/94/183141294.db2.gz APIWMBUGOVSRBI-CMDGGOBGSA-N -1 0 304.386 3.686 1 0 DHAFRM COc1ccc(C(=O)Nc2cc(Cl)c(C)cc2C(=O)[O-])cc1 ZINC000066136658 184391885 /nfs/dbraw/zinc/39/18/85/184391885.db2.gz GWFUHZVZTIETHH-UHFFFAOYSA-N -1 0 319.744 3.608 1 0 DHAFRM CCCC[C@H](O)[C@H](O)/C=C/C=C/CCCCCCCC(=O)[O-] ZINC000085491000 560075322 /nfs/dbraw/zinc/07/53/22/560075322.db2.gz LYIOPCJWYKFJQZ-SVJILFTHSA-N -1 0 312.450 3.826 1 0 biogenic,in-vitro DHAFRM Cc1ccc(-n2nc3c4cccc(Cl)c4[n-]cc-3c2=O)s1 ZINC000148653527 186045879 /nfs/dbraw/zinc/04/58/79/186045879.db2.gz HIUNMHMFVNBFPT-UHFFFAOYSA-N -1 0 315.785 3.890 1 0 DHAFRM CC(C)(C)c1cc(C=Cc2n[nH]c(=O)[n-]2)cc(C(C)(C)C)c1O ZINC000013826641 181903892 /nfs/dbraw/zinc/90/38/92/181903892.db2.gz HBOGTAOUTUNXRN-BQYQJAHWSA-N -1 0 315.417 3.569 1 0 DHAFRM CCN(CC)C(=S)Nc1scc(C(C)C)c1C(=O)[O-] ZINC000038982306 183013382 /nfs/dbraw/zinc/01/33/82/183013382.db2.gz OKHVYSDBRLHMGN-UHFFFAOYSA-N -1 0 300.449 3.608 1 0 DHAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1cccc(F)c1 ZINC000040950379 183150774 /nfs/dbraw/zinc/15/07/74/183150774.db2.gz CTKDAFFFTTVTRC-QGZVFWFLSA-N -1 0 320.319 3.940 1 0 DHAFRM CCc1c(Cl)ccc2c1C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2 ZINC000066259970 184399214 /nfs/dbraw/zinc/39/92/14/184399214.db2.gz PXUXFWBDDCARPY-NSHDSACASA-N -1 0 306.667 3.694 1 0 DHAFRM CN(C)c1ccccc1-c1cc2cc(/C=C/C(=O)[O-])cc(O)c2o1 ZINC000096934949 185392645 /nfs/dbraw/zinc/39/26/45/185392645.db2.gz OWJVKOXMKZERBS-BQYQJAHWSA-N -1 0 323.348 3.969 1 0 DHAFRM Cc1[nH]c(C(=O)[O-])c(/C=C/C(=O)Nc2ccccc2)c1C(C)C ZINC000013778824 181895542 /nfs/dbraw/zinc/89/55/42/181895542.db2.gz BFYPCEBKUDDKRX-MDZDMXLPSA-N -1 0 312.369 3.797 1 0 DHAFRM O=C([O-])c1ccccc1Nc1ccnc(Nc2ccccc2F)n1 ZINC000014960285 181978648 /nfs/dbraw/zinc/97/86/48/181978648.db2.gz POWPXRKPMNQSDN-UHFFFAOYSA-N -1 0 324.315 3.801 1 0 DHAFRM CC(=O)S[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026569721 182446143 /nfs/dbraw/zinc/44/61/43/182446143.db2.gz DOIIMJAAMADLSI-INIZCTEOSA-N -1 0 300.379 3.629 1 0 DHAFRM CCCc1cccc2c(/C=C(/C)C(=O)[O-])cc(OC)c(O)c12 ZINC000026578233 182447430 /nfs/dbraw/zinc/44/74/30/182447430.db2.gz LZQPORMPGNLGRR-LUAWRHEFSA-N -1 0 300.354 3.994 1 0 DHAFRM O=C([O-])c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1 ZINC000029135891 182554412 /nfs/dbraw/zinc/55/44/12/182554412.db2.gz JWWVJILWRVKQOD-UHFFFAOYSA-N -1 0 321.332 3.855 1 0 DHAFRM CCCCCCc1cc2c([n-]c(C(=O)OCC)nc2=O)s1 ZINC000039240746 183015844 /nfs/dbraw/zinc/01/58/44/183015844.db2.gz ROZJOOYWKULKPX-UHFFFAOYSA-N -1 0 308.403 3.696 1 0 DHAFRM COc1cccc(Nc2nc(C(=O)[O-])cc3sccc32)c1 ZINC000066103551 184389653 /nfs/dbraw/zinc/38/96/53/184389653.db2.gz WDRVDNDIQDNQDP-UHFFFAOYSA-N -1 0 300.339 3.747 1 0 DHAFRM CC1(C)C[C@@H]2[C@H]1CC[C@]1(C)CC[C@@H]3[C@@H](C(=O)[O-])CC(=O)O[C@]23C1 ZINC000015449149 560230233 /nfs/dbraw/zinc/23/02/33/560230233.db2.gz QKVNMVAISCKGFO-QRXHXHDFSA-N -1 0 320.429 3.635 3 0 in-vitro DHAFRM CC/C=C\C[C@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)[O-] ZINC000034961800 571752719 /nfs/dbraw/zinc/75/27/19/571752719.db2.gz RGRKFKRAFZJQMS-ZQCGFPFMSA-N -1 0 312.450 3.826 1 0 endogenous,in-man DHAFRM Cc1nn(C)c(C(=O)[O-])c1Cc1cccc(-c2ccc(F)cc2)c1 ZINC000095553833 185379057 /nfs/dbraw/zinc/37/90/57/185379057.db2.gz DDWSNNLBJQKTEL-UHFFFAOYSA-N -1 0 324.355 3.824 1 0 DHAFRM Cc1[nH]nc(C(=O)[O-])c1Cc1cccc(-c2ccccc2F)c1 ZINC000095557064 185379670 /nfs/dbraw/zinc/37/96/70/185379670.db2.gz NJSJHHCGXSCNIM-UHFFFAOYSA-N -1 0 310.328 3.813 1 0 DHAFRM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)c1cccnc1 ZINC000006808154 181392720 /nfs/dbraw/zinc/39/27/20/181392720.db2.gz AZLSLNZRSJHASH-UHFFFAOYSA-N -1 0 324.361 3.761 1 0 DHAFRM C[C@@H](C(=O)[O-])c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027559309 182477529 /nfs/dbraw/zinc/47/75/29/182477529.db2.gz XPJMITWYFJZDQM-RAIGVLPGSA-N -1 0 304.411 3.970 1 0 DHAFRM Cc1cc(CC(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000095578503 185380843 /nfs/dbraw/zinc/38/08/43/185380843.db2.gz HXOYSHLKWXSHGV-UHFFFAOYSA-N -1 0 322.360 3.628 1 0 DHAFRM Fc1ccc2nc([N-]c3nnc(-c4ccco4)o3)sc2c1 ZINC000004137789 181078048 /nfs/dbraw/zinc/07/80/48/181078048.db2.gz GSRKHRMRVJCIKN-UHFFFAOYSA-N -1 0 302.290 3.822 1 0 DHAFRM O=C([O-])CN(C(=O)c1ccccc1)c1cccc2ccccc21 ZINC000025985267 182427997 /nfs/dbraw/zinc/42/79/97/182427997.db2.gz DHRNRKBHWNEXIP-UHFFFAOYSA-N -1 0 305.333 3.571 1 0 DHAFRM Cc1cnc2c(c1)c1cc(C(=O)[O-])nc(-c3ccccc3)c1n2C ZINC000028867942 182542438 /nfs/dbraw/zinc/54/24/38/182542438.db2.gz UTBGLAMIYWYLIR-UHFFFAOYSA-N -1 0 317.348 3.795 1 0 DHAFRM CC(C)Oc1cc2nc(C(=O)[O-])cn2c2cc(Cl)ccc12 ZINC000039281637 183015694 /nfs/dbraw/zinc/01/56/94/183015694.db2.gz YABOAQWSZMINTJ-UHFFFAOYSA-N -1 0 304.733 3.626 1 0 DHAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccc(F)cc1 ZINC000040423023 183065488 /nfs/dbraw/zinc/06/54/88/183065488.db2.gz KXAITWJWQUGLDP-QGZVFWFLSA-N -1 0 320.319 3.940 1 0 DHAFRM C[C@H](Sc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C(=O)[O-] ZINC000064453406 184297804 /nfs/dbraw/zinc/29/78/04/184297804.db2.gz FTFOUCNNSWHSRQ-ITOAGHBLSA-N -1 0 324.471 3.571 1 0 DHAFRM O=c1cc(-c2ccccc2)cc(-c2ccc3[nH]ccc3c2)n1[O-] ZINC000095563838 185380269 /nfs/dbraw/zinc/38/02/69/185380269.db2.gz NCXNYFQTLSLVAH-UHFFFAOYSA-N -1 0 302.333 3.901 1 0 DHAFRM O=C([O-])c1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1 ZINC000087613213 185229394 /nfs/dbraw/zinc/22/93/94/185229394.db2.gz DSRXYFSONVBAKS-UHFFFAOYSA-N -1 0 324.315 3.801 1 0 in-vitro DHAFRM C/C(=C\c1cccc(Nc2cnc3ccccc3n2)c1)C(=O)[O-] ZINC000072109285 191037837 /nfs/dbraw/zinc/03/78/37/191037837.db2.gz COZNIJCLDGMSLH-FMIVXFBMSA-N -1 0 305.337 3.861 1 0 DHAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccccc1C(F)(F)F ZINC000073295122 191300865 /nfs/dbraw/zinc/30/08/65/191300865.db2.gz JCMORGCVUQVSRU-AWEZNQCLSA-N -1 0 310.271 3.780 1 0 DHAFRM O=C([O-])C(Cl)=C(Cl)Nc1cccc(C(F)(F)F)c1 ZINC000005580686 181259525 /nfs/dbraw/zinc/25/95/25/181259525.db2.gz AISQOJWVNQUKDI-FPLPWBNLSA-N -1 0 300.063 3.849 1 0 DHAFRM O=c1[nH]c2sc3c(c2c([O-])c1-c1cccs1)CCCC3 ZINC000013680012 181878596 /nfs/dbraw/zinc/87/85/96/181878596.db2.gz HKZQHCCJQSWXSH-UHFFFAOYSA-N -1 0 303.408 3.903 1 0 DHAFRM O=c1oc2ccccc2c([O-])c1SCCOc1ccccc1 ZINC000013738212 181886700 /nfs/dbraw/zinc/88/67/00/181886700.db2.gz PFVQVVKQDJSYFD-UHFFFAOYSA-N -1 0 314.362 3.670 1 0 DHAFRM CCC[C@H](CC1(C(=O)Nc2cc(C)ccn2)CCCC1)C(=O)[O-] ZINC000040566815 183103991 /nfs/dbraw/zinc/10/39/91/183103991.db2.gz RMFYECKSPNKOHX-CQSZACIVSA-N -1 0 318.417 3.780 1 0 DHAFRM Nc1sc(-c2ccc(C(=O)[O-])cc2)cc1C(=O)c1ccccc1 ZINC000064380630 184296211 /nfs/dbraw/zinc/29/62/11/184296211.db2.gz BZUWFCRJTYVBSH-UHFFFAOYSA-N -1 0 323.373 3.927 1 0 DHAFRM C[C@]12C(=O)[C@]34C[C@H]1[C@H]2C[C@H]3[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC4 ZINC000084154218 560046113 /nfs/dbraw/zinc/04/61/13/560046113.db2.gz UGBZTWXBAZGOFM-HUQSQLFPSA-N -1 0 316.441 3.909 1 0 biogenic,in-vitro DHAFRM C=C1[C@H]2C[C@@]3(CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)C3=CC2)[C@H]1O ZINC000014485878 560100662 /nfs/dbraw/zinc/10/06/62/560100662.db2.gz OUTPEFUPVQXLSZ-DDOIZHBBSA-N -1 0 316.441 3.931 1 0 biogenic DHAFRM Cc1[n-]n(-c2ccccn2)c(=O)c1-c1ccc(C(F)(F)F)cc1 ZINC000082159218 185173950 /nfs/dbraw/zinc/17/39/50/185173950.db2.gz ITXYULUIICDFGR-UHFFFAOYSA-N -1 0 319.286 3.555 1 0 DHAFRM O=C([O-])c1cccc(NC(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000071341348 190961438 /nfs/dbraw/zinc/96/14/38/190961438.db2.gz HESPAXPTHYPSLE-UHFFFAOYSA-N -1 0 322.320 3.888 1 0 DHAFRM CC(C)S[C@](C)(NC(=O)C1C(C)(C)CCC1(C)C)C(=O)[O-] ZINC000005732992 181278782 /nfs/dbraw/zinc/27/87/82/181278782.db2.gz PKHBQPNTXYWSGR-INIZCTEOSA-N -1 0 315.479 3.507 1 0 DHAFRM CCc1cc(N)c(Oc2ccc(C)cc2CC(=O)[O-])c(F)c1 ZINC000026398485 182440246 /nfs/dbraw/zinc/44/02/46/182440246.db2.gz ANEOVZYWFUIPOP-UHFFFAOYSA-N -1 0 303.333 3.698 1 0 DHAFRM C[C@@H](C(=O)[O-])c1ccc2c(c1)C(=O)[C@@H]1CCCC[C@@H]1CS2 ZINC000027557855 182477664 /nfs/dbraw/zinc/47/76/64/182477664.db2.gz FXLVXJUAOPGPAG-RAIGVLPGSA-N -1 0 304.411 3.970 1 0 DHAFRM CC/C=C\C[C@H]1O[C@@H]1[C@@H](O)/C=C/CCCCCCCC(=O)[O-] ZINC000015165680 574413848 /nfs/dbraw/zinc/41/38/48/574413848.db2.gz XHMGEKKHSKIGMI-JZAGOISLSA-N -1 0 310.434 3.843 1 0 endogenous,in-man DHAFRM COC12CC3C[C@H](C1)C(CC(=O)[O-])(c1ccc(F)cc1)[C@@H](C3)C2 ZINC000073141023 191282529 /nfs/dbraw/zinc/28/25/29/191282529.db2.gz YHIJITNGHNTZEK-BEEDMZNMSA-N -1 0 318.388 3.763 1 0 DHAFRM O=C([O-])[C@H]1Cc2cc3c(-c4cccs4)noc3c(Cl)c2O1 ZINC000025975005 182427320 /nfs/dbraw/zinc/42/73/20/182427320.db2.gz HPDJRNPKANZUGJ-MRVPVSSYSA-N -1 0 321.741 3.598 1 0 DHAFRM Nc1c(Cl)cc(Cl)cc1Oc1ccccc1CC(=O)[O-] ZINC000026403735 182440600 /nfs/dbraw/zinc/44/06/00/182440600.db2.gz OHYPPDBZAMFBQU-UHFFFAOYSA-N -1 0 312.152 3.995 1 0 DHAFRM Cc1ccsc1-c1noc2c1ccc(OCC(=O)[O-])c2Cl ZINC000027518535 182474028 /nfs/dbraw/zinc/47/40/28/182474028.db2.gz SGLNBQQFTFSOFE-UHFFFAOYSA-N -1 0 323.757 3.982 1 0 DHAFRM O=C([O-])c1[nH]c2cc(Cl)ccc2c1NC(=O)c1ccccc1 ZINC000027521414 182474232 /nfs/dbraw/zinc/47/42/32/182474232.db2.gz GNRXEFVISALVBN-UHFFFAOYSA-N -1 0 314.728 3.772 1 0 DHAFRM O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c21)CCCC3=O ZINC000040897344 183147159 /nfs/dbraw/zinc/14/71/59/183147159.db2.gz HRCWJPIZBPOIPY-UHFFFAOYSA-N -1 0 319.360 3.907 1 0 DHAFRM O=C([O-])c1cccc(-c2csc([C@@H](O)c3ccccc3)n2)c1 ZINC000061903198 184193693 /nfs/dbraw/zinc/19/36/93/184193693.db2.gz QLOGZMBLSKYRGI-HNNXBMFYSA-N -1 0 311.362 3.590 3 0 DHAFRM CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)CC[C@@H]3[C@@H](C(=O)[O-])CC(=O)O[C@]23C1 ZINC000015449146 560230260 /nfs/dbraw/zinc/23/02/60/560230260.db2.gz QKVNMVAISCKGFO-KUYMHIFUSA-N -1 0 320.429 3.635 3 0 in-vitro DHAFRM CCCC[C@@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)[O-] ZINC000072109016 191037831 /nfs/dbraw/zinc/03/78/31/191037831.db2.gz KLZOBIRHWKLWSZ-MRXNPFEDSA-N -1 0 321.417 3.501 1 0 DHAFRM O=C([O-])c1cc2ccc(OC3CCCCCC3)cc2oc1=O ZINC000072118744 191039083 /nfs/dbraw/zinc/03/90/83/191039083.db2.gz MQTAJDBIYOUKGJ-UHFFFAOYSA-N -1 0 302.326 3.593 1 0 DHAFRM O=C([O-])[C@H](Cc1cccc(F)c1)Oc1ccc(Cl)cc1F ZINC000073312842 191303889 /nfs/dbraw/zinc/30/38/89/191303889.db2.gz HVDJHNLZHYQTLC-AWEZNQCLSA-N -1 0 312.699 3.693 1 0 DHAFRM O=C([O-])c1ccc2oc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 ZINC000013581686 181865146 /nfs/dbraw/zinc/86/51/46/181865146.db2.gz WLYNHDJDYSRMLO-UHFFFAOYSA-N -1 0 324.376 3.959 1 0 DHAFRM O=C([O-])[C@@H]1Cc2cc3c(-c4ccccc4)noc3c(Cl)c2O1 ZINC000025976522 182426820 /nfs/dbraw/zinc/42/68/20/182426820.db2.gz RCEVTVLZGXSELM-NSHDSACASA-N -1 0 315.712 3.536 1 0 DHAFRM CC[C@@]1(CC(=O)[O-])OCCc2c3ccc(C)c(Cl)c3[nH]c21 ZINC000039198795 183014754 /nfs/dbraw/zinc/01/47/54/183014754.db2.gz WJBDNSRNVJFPOM-INIZCTEOSA-N -1 0 307.777 3.782 1 0 DHAFRM CC1(C)C(C(=O)c2cn(CCC(=O)[O-])c3ccccc23)C1(C)C ZINC000045302557 183496692 /nfs/dbraw/zinc/49/66/92/183496692.db2.gz SROHPRYBUYXISC-UHFFFAOYSA-N -1 0 313.397 3.981 1 0 DHAFRM CCOc1c(Cl)ccc2c1C=C(C(=O)[O-])[C@H](C(F)(F)F)O2 ZINC000066258919 184399229 /nfs/dbraw/zinc/39/92/29/184399229.db2.gz RAUHJZIFSGEZOO-LLVKDONJSA-N -1 0 322.666 3.530 1 0 DHAFRM CC(C)[C@H]1CC[C@H]2[C@@H]3C=C[C@](C)(O)C[C@]3(C)CC[C@]12C(=O)[O-] ZINC000095913764 560056351 /nfs/dbraw/zinc/05/63/51/560056351.db2.gz NTMCULANLUQWEL-XJIZNKBASA-N -1 0 306.446 3.867 1 0 biogenic,in-vitro DHAFRM CC/C=C\C[C@@H]1O[C@H]1[C@@H](O)/C=C/CCCCCCCC(=O)[O-] ZINC000015165682 574413836 /nfs/dbraw/zinc/41/38/36/574413836.db2.gz XHMGEKKHSKIGMI-FIJCXYKOSA-N -1 0 310.434 3.843 1 0 endogenous,in-man DHAFRM CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC(=O)[O-])cc1OC2(C)C ZINC000103230234 185439566 /nfs/dbraw/zinc/43/95/66/185439566.db2.gz OJEXEXIMQPBJQS-CHWSQXEVSA-N -1 0 302.370 3.630 1 0 DHAFRM Cc1ccc(-c2noc3c2ccc(OCC(=O)[O-])c3Cl)cc1 ZINC000027438230 182472645 /nfs/dbraw/zinc/47/26/45/182472645.db2.gz SXPUHWKFFQFTRQ-UHFFFAOYSA-N -1 0 317.728 3.920 1 0 DHAFRM O=C([O-])c1cccc(-c2ccc(C(=O)C(F)(F)F)s2)c1 ZINC000045258628 183491068 /nfs/dbraw/zinc/49/10/68/183491068.db2.gz DXFINMGOOFFGSP-UHFFFAOYSA-N -1 0 300.257 3.858 1 0 DHAFRM COc1ccc(/C=C/c2ccc([C@@H](O)CCC(=O)[O-])cc2)cc1 ZINC000045495412 183511771 /nfs/dbraw/zinc/51/17/71/183511771.db2.gz HBTNROMPEQCVNH-DCKQQPRJSA-N -1 0 312.365 3.764 1 0 DHAFRM Cc1[nH]nc(C(=O)[O-])c1Cc1cccc(Oc2ccccc2)c1 ZINC000095556673 185379802 /nfs/dbraw/zinc/37/98/02/185379802.db2.gz FVRSDASANVSRNO-UHFFFAOYSA-N -1 0 308.337 3.799 1 0 DHAFRM Cc1nc2c3c(c(C(=O)[O-])cn2c1C)CC[C@H](c1ccccc1)O3 ZINC000028867316 182542383 /nfs/dbraw/zinc/54/23/83/182542383.db2.gz ULZLWOFVLVQUIG-MRXNPFEDSA-N -1 0 322.364 3.716 1 0 DHAFRM COc1cccc(Nc2c3ccsc3ncc2C(=O)[O-])c1 ZINC000040981137 183154314 /nfs/dbraw/zinc/15/43/14/183154314.db2.gz JVKLVEFGFUENLP-UHFFFAOYSA-N -1 0 300.339 3.747 1 0 DHAFRM C=Cc1cc(Cl)cc2c1O[C@H](C(F)(F)F)C(C(=O)[O-])=C2 ZINC000064549851 184299445 /nfs/dbraw/zinc/29/94/45/184299445.db2.gz QKLWOMCJCWBONG-NSHDSACASA-N -1 0 304.651 3.774 1 0 DHAFRM O=C([O-])c1cc2c3ccccc3[nH]c2c(C(=O)c2ccccc2)n1 ZINC000066073841 184386955 /nfs/dbraw/zinc/38/69/55/184386955.db2.gz NAILBXPDNRIENT-UHFFFAOYSA-N -1 0 316.316 3.645 1 0 DHAFRM CCCCC/C=C\C/C=C\[C@@H](O)[C@@H](O)CCCCCC(=O)[O-] ZINC000013538776 560219037 /nfs/dbraw/zinc/21/90/37/560219037.db2.gz NMONGVDUESEHOK-IFNSTYGGSA-N -1 0 312.450 3.826 1 0 in-vitro DHAFRM CC/C=C\C[C@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)[O-] ZINC000034961804 571752712 /nfs/dbraw/zinc/75/27/12/571752712.db2.gz RGRKFKRAFZJQMS-WXDGQRKDSA-N -1 0 312.450 3.826 1 0 endogenous,in-man DHAFRM