smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)ccn1 ZINC000000586485 219304596 /nfs/dbraw/zinc/30/45/96/219304596.db2.gz WFOVQRPNGUHAQT-UHFFFAOYSA-N 0 2 352.365 3.798 1 0 FHAFLN CCc1[nH]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1ccccn1 ZINC000029250798 204897061 /nfs/dbraw/zinc/89/70/61/204897061.db2.gz AZYMTIZNMLJVIV-UHFFFAOYSA-N 0 2 361.323 3.757 1 0 FHAFLN O=C(O)c1cn(Cc2ccc(C3CC3)cc2)c2c(F)ccc(F)c2c1=O ZINC000045384271 205121431 /nfs/dbraw/zinc/12/14/31/205121431.db2.gz OFILOHDYEJZLOC-UHFFFAOYSA-N 0 2 355.340 3.904 1 0 FHAFLN CCCc1ccccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1 ZINC000027179854 581095063 /nfs/dbraw/zinc/09/50/63/581095063.db2.gz PSRCPDFTPXSARE-LJQANCHMSA-N 0 2 369.417 3.795 1 0 FHAFLN Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)ccn1 ZINC000000586501 219304395 /nfs/dbraw/zinc/30/43/95/219304395.db2.gz HZPZUNBCOVBWIQ-UHFFFAOYSA-N 0 2 356.328 3.683 1 0 FHAFLN O=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2cccc(F)c2c1=O ZINC000045391766 205122113 /nfs/dbraw/zinc/12/21/13/205122113.db2.gz RWAHKTYMXPBNIM-UHFFFAOYSA-N 0 2 374.371 3.949 1 0 FHAFLN O=S(=O)(Nc1ccncc1Nc1ccc(Cl)cc1)C(F)(F)F ZINC000049017979 205166918 /nfs/dbraw/zinc/16/69/18/205166918.db2.gz BJSHRSBHYAVRGG-UHFFFAOYSA-N 0 2 351.737 3.740 1 0 FHAFLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(Cl)c3)s2)cc1 ZINC000103299508 205993679 /nfs/dbraw/zinc/99/36/79/205993679.db2.gz URLLJVKDEDRWTQ-UHFFFAOYSA-N 0 2 365.867 3.968 1 0 FHAFLN CCCC(=O)c1c2c(c(O)c3c(CCC)cc(=O)oc13)C[C@H](O)C(C)(C)O2 ZINC000014586085 571712927 /nfs/dbraw/zinc/71/29/27/571712927.db2.gz JKOPHYFSGRCMOF-AWEZNQCLSA-N 0 2 374.433 3.508 1 0 endogenous,in-man FHAFLN O=C1NC(=O)[C@@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)O1 ZINC000045375168 205121233 /nfs/dbraw/zinc/12/12/33/205121233.db2.gz NQNSVFXDBXNFOJ-CQSZACIVSA-N 0 2 352.173 3.963 1 0 FHAFLN O=C(O)c1cn(Cc2ccccc2C(F)(F)F)c2cccc(F)c2c1=O ZINC000045394222 205122138 /nfs/dbraw/zinc/12/21/38/205122138.db2.gz PNRANRPXVCGIQX-UHFFFAOYSA-N 0 2 365.282 3.906 1 0 FHAFLN CN(C/C=C/c1ccc(C[C@@H](C(=O)[O-])n2cccc2)cc1)c1cccc[nH+]1 ZINC000040403979 581099412 /nfs/dbraw/zinc/09/94/12/581099412.db2.gz NUFSAZSMSFQENI-YJJPMGAVSA-N 0 2 361.445 3.901 1 0 FHAFLN CCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C ZINC000003784616 204110274 /nfs/dbraw/zinc/11/02/74/204110274.db2.gz XLSFNDGKFXENKA-UHFFFAOYSA-N 0 2 368.458 3.633 1 0 FHAFLN CC1(C)C=Cc2c(O)c3c(=O)c(-c4ccc(O)cc4)coc3c(CO)c2O1 ZINC000064513030 205299657 /nfs/dbraw/zinc/29/96/57/205299657.db2.gz YJZULEGLRQGVFQ-UHFFFAOYSA-N 0 2 366.369 3.548 1 0 FHAFLN O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc2c1=O ZINC000043169352 205101635 /nfs/dbraw/zinc/10/16/35/205101635.db2.gz IMLMBMPMFIUNGR-UHFFFAOYSA-N 0 2 365.282 3.906 1 0 FHAFLN O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2ccncc2c1=O ZINC000049111264 205170694 /nfs/dbraw/zinc/17/06/94/205170694.db2.gz QVPKHRFTCWCWIQ-UHFFFAOYSA-N 0 2 356.381 3.810 1 0 FHAFLN COc1cc(OC)c(C(=O)c2ccccc2C)c(O)c1Br ZINC000103224015 209249876 /nfs/dbraw/zinc/24/98/76/209249876.db2.gz WZXUTOKELKERCW-UHFFFAOYSA-N 0 2 351.196 3.711 1 0 FHAFLN COc1cc(OC)c(C(=O)c2ccccc2F)c(O)c1Br ZINC000103201762 209248422 /nfs/dbraw/zinc/24/84/22/209248422.db2.gz AWQFYWYWEJFPCP-UHFFFAOYSA-N 0 2 355.159 3.542 1 0 FHAFLN O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2cccc(F)c2c1=O ZINC000045259565 208330620 /nfs/dbraw/zinc/33/06/20/208330620.db2.gz LGTNBWDIRWHWDH-UHFFFAOYSA-N 0 2 365.282 3.906 1 0 FHAFLN O=C1NC(=O)[C@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)O1 ZINC000045375171 208332006 /nfs/dbraw/zinc/33/20/06/208332006.db2.gz NQNSVFXDBXNFOJ-AWEZNQCLSA-N 0 2 352.173 3.963 1 0 FHAFLN O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2c(F)cccc2c1=O ZINC000045347492 208331197 /nfs/dbraw/zinc/33/11/97/208331197.db2.gz IJANRSIJTGDLQR-UHFFFAOYSA-N 0 2 365.282 3.906 1 0 FHAFLN CC1(C)CC[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678245 209229195 /nfs/dbraw/zinc/22/91/95/209229195.db2.gz PLVFCLKRSMXMLU-OAHLLOKOSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CC[C@@H](n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678245 209229198 /nfs/dbraw/zinc/22/91/98/209229198.db2.gz PLVFCLKRSMXMLU-OAHLLOKOSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1CCC(n2c(O)cc(=O)n(CCc3ccc(Cl)cc3)c2=O)CC1 ZINC000101678277 209228492 /nfs/dbraw/zinc/22/84/92/209228492.db2.gz CKZGPMLVLBAAHV-UHFFFAOYSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1CCC(n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)CC1 ZINC000101678277 209228495 /nfs/dbraw/zinc/22/84/95/209228495.db2.gz CKZGPMLVLBAAHV-UHFFFAOYSA-N 0 2 362.857 3.642 1 0 FHAFLN O=c1[nH]c(-c2cc(Cl)ccc2O)nn1-c1ccc(C(F)(F)F)cc1 ZINC000035242361 208121303 /nfs/dbraw/zinc/12/13/03/208121303.db2.gz ZOOQSLLVAOEAPI-UHFFFAOYSA-N 0 2 355.703 3.605 1 0 FHAFLN CC1(C)CCc2c(-c3coc4cc(O)cc(=O)c-4c3O)ccc(O)c2O1 ZINC000040422168 208252024 /nfs/dbraw/zinc/25/20/24/208252024.db2.gz CFGUDCVYJGCIHR-UHFFFAOYSA-N 0 2 354.358 3.680 1 0 FHAFLN CC1(C)CCc2c(-c3coc4cc(O)cc(O)c4c3=O)ccc(O)c2O1 ZINC000040422168 208252027 /nfs/dbraw/zinc/25/20/27/208252027.db2.gz CFGUDCVYJGCIHR-UHFFFAOYSA-N 0 2 354.358 3.680 1 0 FHAFLN C[C@@H]1Oc2cc(=O)c3c(O)c(O)c(-c4ccc(O)cc4)oc-3c2C1(C)C ZINC000014825098 291078525 /nfs/dbraw/zinc/07/85/25/291078525.db2.gz JTPIWPQEKWCNEL-VIFPVBQESA-N 0 2 354.358 3.635 1 0 biogenic,in-vitro FHAFLN CC[C@@H]1CC[C@H](n2c(O)cc(=O)n(CCc3ccc(Cl)cc3)c2=O)C1 ZINC000101678284 209229669 /nfs/dbraw/zinc/22/96/69/209229669.db2.gz YHWWPYUITXNAKW-CJNGLKHVSA-N 0 2 362.857 3.642 1 0 FHAFLN C[C@H]1CCCC[C@H]1n1c(O)cc(=O)n(CCc2ccc(Cl)cc2)c1=O ZINC000101678273 209229696 /nfs/dbraw/zinc/22/96/96/209229696.db2.gz WHFVNZONTMVQGV-XJKSGUPXSA-N 0 2 362.857 3.642 1 0 FHAFLN CC[C@@H]1CC[C@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 ZINC000101678284 209229670 /nfs/dbraw/zinc/22/96/70/209229670.db2.gz YHWWPYUITXNAKW-CJNGLKHVSA-N 0 2 362.857 3.642 1 0 FHAFLN C[C@H]1CCCC[C@H]1n1c(=O)cc(O)n(CCc2ccc(Cl)cc2)c1=O ZINC000101678273 209229697 /nfs/dbraw/zinc/22/96/97/209229697.db2.gz WHFVNZONTMVQGV-XJKSGUPXSA-N 0 2 362.857 3.642 1 0 FHAFLN CSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=S)n2C ZINC000100834008 209219009 /nfs/dbraw/zinc/21/90/09/209219009.db2.gz YCFURLWRYUFOCH-UHFFFAOYSA-N 0 2 370.499 3.826 1 0 FHAFLN O=c1c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2nc2[nH]ncn21 ZINC000102845625 209241970 /nfs/dbraw/zinc/24/19/70/209241970.db2.gz XSFSDEWCHYCDBF-UHFFFAOYSA-N 0 2 373.803 3.953 1 0 FHAFLN CC1(C)CCC[C@H]1n1c(O)cc(=O)n(CCc2ccc(Cl)cc2)c1=O ZINC000101678314 209229336 /nfs/dbraw/zinc/22/93/36/209229336.db2.gz KCLRPHBXNOKMFE-OAHLLOKOSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CCC[C@H]1n1c(=O)cc(O)n(CCc2ccc(Cl)cc2)c1=O ZINC000101678314 209229339 /nfs/dbraw/zinc/22/93/39/209229339.db2.gz KCLRPHBXNOKMFE-OAHLLOKOSA-N 0 2 362.857 3.642 1 0 FHAFLN CC[C@@H]1CC[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678228 209229307 /nfs/dbraw/zinc/22/93/07/209229307.db2.gz ASUPALFNMIVBLS-CJNGLKHVSA-N 0 2 362.857 3.642 1 0 FHAFLN CC[C@@H]1CC[C@H](n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678228 209229309 /nfs/dbraw/zinc/22/93/09/209229309.db2.gz ASUPALFNMIVBLS-CJNGLKHVSA-N 0 2 362.857 3.642 1 0 FHAFLN COc1cc(OC)c(C(=O)c2cccc(C)c2)c(O)c1Br ZINC000103224018 209249913 /nfs/dbraw/zinc/24/99/13/209249913.db2.gz JXBCUGSBCBLJRR-UHFFFAOYSA-N 0 2 351.196 3.711 1 0 FHAFLN Nc1[nH+]c(Nc2ccc(C(=O)[O-])cc2)ccc1C(=O)c1c(F)cccc1F ZINC000014945636 207531687 /nfs/dbraw/zinc/53/16/87/207531687.db2.gz CVSDWWDMOFGSDC-UHFFFAOYSA-N 0 2 369.327 3.615 1 0 FHAFLN CCc1cc(-c2[nH]nc(C)c2-c2cccc3c2OCCO3)c(O)cc1O ZINC000034717851 581094047 /nfs/dbraw/zinc/09/40/47/581094047.db2.gz VLQZFFMOEQUMBR-UHFFFAOYSA-N 0 2 352.390 3.797 1 0 FHAFLN CC(C)=CCc1c(O)cc(=O)c2c(O)cc(-c3ccc(O)cc3O)oc1-2 ZINC000014762748 210182418 /nfs/dbraw/zinc/18/24/18/210182418.db2.gz KIZVKNPTBJVGLX-UHFFFAOYSA-N 0 2 354.358 3.791 1 0 FHAFLN CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12 ZINC000014762748 210182420 /nfs/dbraw/zinc/18/24/20/210182420.db2.gz KIZVKNPTBJVGLX-UHFFFAOYSA-N 0 2 354.358 3.791 1 0 FHAFLN Cc1c(N2CCCC(C)(C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000100918103 132233384 /nfs/dbraw/zinc/23/33/84/132233384.db2.gz URJSPSRMSASQSN-UHFFFAOYSA-N 0 2 369.465 3.552 1 0 FHAFLN CCn1c2ccc(SC)cc2c(O)c(C(=O)N(C)c2ccccc2)c1=O ZINC000101343344 222269894 /nfs/dbraw/zinc/26/98/94/222269894.db2.gz HEIUICWWUXQAOA-UHFFFAOYSA-N 0 2 368.458 3.726 1 0 FHAFLN Cc1[nH]n(-c2ccccc2)c(=O)c1-c1cc2c(o1)c1ccccc1oc2=O ZINC000071294347 221340453 /nfs/dbraw/zinc/34/04/53/221340453.db2.gz PJAUHKBMHUGRFK-UHFFFAOYSA-N 0 2 358.353 3.994 1 0 FHAFLN Nc1ccccc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000101412188 222273463 /nfs/dbraw/zinc/27/34/63/222273463.db2.gz WUAYOXQACKJBIX-UHFFFAOYSA-N 0 2 371.396 3.531 1 0 FHAFLN Cc1ccc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)c(C)n1 ZINC000013832981 211061216 /nfs/dbraw/zinc/06/12/16/211061216.db2.gz LINZPGCPZUIUCQ-UHFFFAOYSA-N 0 2 370.355 3.992 1 0 FHAFLN COc1cccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)c1 ZINC000071418527 221347765 /nfs/dbraw/zinc/34/77/65/221347765.db2.gz UJWAGMVNLQCCIG-GQCTYLIASA-N 0 2 353.349 3.561 1 0 FHAFLN CC1(C)CC[C@@H](n2c(O)cc(=O)n(CCc3ccc(Cl)cc3)c2=O)C1 ZINC000101678297 222280201 /nfs/dbraw/zinc/28/02/01/222280201.db2.gz ZVPGTNZAMTXWKJ-OAHLLOKOSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CC[C@@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 ZINC000101678297 222280205 /nfs/dbraw/zinc/28/02/05/222280205.db2.gz ZVPGTNZAMTXWKJ-OAHLLOKOSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CC[C@H](n2c(O)cc(=O)n(CCc3ccc(Cl)cc3)c2=O)C1 ZINC000101678294 222280425 /nfs/dbraw/zinc/28/04/25/222280425.db2.gz ZVPGTNZAMTXWKJ-HNNXBMFYSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CC[C@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C1 ZINC000101678294 222280427 /nfs/dbraw/zinc/28/04/27/222280427.db2.gz ZVPGTNZAMTXWKJ-HNNXBMFYSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1CCC(n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)CC1 ZINC000101678217 222280582 /nfs/dbraw/zinc/28/05/82/222280582.db2.gz QTDSYTSWQYNZSB-UHFFFAOYSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1CCC(n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)CC1 ZINC000101678217 222280587 /nfs/dbraw/zinc/28/05/87/222280587.db2.gz QTDSYTSWQYNZSB-UHFFFAOYSA-N 0 2 362.857 3.642 1 0 FHAFLN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCC[C@H]1O ZINC000103205810 222325423 /nfs/dbraw/zinc/32/54/23/222325423.db2.gz JSGSCRWSGFLCOR-OLZOCXBDSA-N 0 2 371.808 3.794 1 0 FHAFLN CC1(C)CC[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678241 222280967 /nfs/dbraw/zinc/28/09/67/222280967.db2.gz PLVFCLKRSMXMLU-HNNXBMFYSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CC[C@H](n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678241 222280969 /nfs/dbraw/zinc/28/09/69/222280969.db2.gz PLVFCLKRSMXMLU-HNNXBMFYSA-N 0 2 362.857 3.642 1 0 FHAFLN CC(C)=CCc1cc(-c2coc3cc(O)cc(=O)c-3c2O)c(O)cc1O ZINC000014762950 210182636 /nfs/dbraw/zinc/18/26/36/210182636.db2.gz WHPDMWPIFCRONU-UHFFFAOYSA-N 0 2 354.358 3.791 1 0 in-vitro FHAFLN CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(O)cc1O ZINC000014762950 210182639 /nfs/dbraw/zinc/18/26/39/210182639.db2.gz WHPDMWPIFCRONU-UHFFFAOYSA-N 0 2 354.358 3.791 1 0 in-vitro FHAFLN O=C(O)c1cn(Cc2ccc(-c3ccccc3)cn2)c2c(F)cccc2c1=O ZINC000045337472 211815828 /nfs/dbraw/zinc/81/58/28/211815828.db2.gz RRNMJRUJIJBSGA-UHFFFAOYSA-N 0 2 374.371 3.949 1 0 FHAFLN CSc1ccc2c(c1)c(O)c(C(=S)N(C)c1ccccc1)c(=O)n2C ZINC000101259657 222266541 /nfs/dbraw/zinc/26/65/41/222266541.db2.gz PCRLYICAYVXDLN-UHFFFAOYSA-N 0 2 370.499 3.778 1 0 FHAFLN CC[C@H]1CC[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678239 222281193 /nfs/dbraw/zinc/28/11/93/222281193.db2.gz ASUPALFNMIVBLS-XJKSGUPXSA-N 0 2 362.857 3.642 1 0 FHAFLN CC[C@H]1CC[C@@H](n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678239 222281196 /nfs/dbraw/zinc/28/11/96/222281196.db2.gz ASUPALFNMIVBLS-XJKSGUPXSA-N 0 2 362.857 3.642 1 0 FHAFLN CCCc1ccccc1OCCCOc1cccc([C@@H]2OC(=O)NC2=O)c1 ZINC000027179849 581095071 /nfs/dbraw/zinc/09/50/71/581095071.db2.gz PSRCPDFTPXSARE-IBGZPJMESA-N 0 2 369.417 3.795 1 0 FHAFLN O=C(c1ccccc1)c1c(=O)c(O)nn(-c2ccccc2)c1-c1ccccc1 ZINC000001663173 210365554 /nfs/dbraw/zinc/36/55/54/210365554.db2.gz ZEZNXEJCMWBVFC-UHFFFAOYSA-N 0 2 368.392 3.836 1 0 FHAFLN CC[C@H]1CC[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678232 222280754 /nfs/dbraw/zinc/28/07/54/222280754.db2.gz ASUPALFNMIVBLS-BBRMVZONSA-N 0 2 362.857 3.642 1 0 FHAFLN CC[C@H]1CC[C@H](n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678232 222280757 /nfs/dbraw/zinc/28/07/57/222280757.db2.gz ASUPALFNMIVBLS-BBRMVZONSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CCC[C@@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O ZINC000101678258 222280908 /nfs/dbraw/zinc/28/09/08/222280908.db2.gz MTWKHJUQYFVCHB-HNNXBMFYSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CCC[C@@H]1n1c(O)cc(=O)n(CCc2cccc(Cl)c2)c1=O ZINC000101678258 222280912 /nfs/dbraw/zinc/28/09/12/222280912.db2.gz MTWKHJUQYFVCHB-HNNXBMFYSA-N 0 2 362.857 3.642 1 0 FHAFLN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1 ZINC000066260109 221243836 /nfs/dbraw/zinc/24/38/36/221243836.db2.gz QQGIACMPSDVFRS-HKUYNNGSSA-N 0 2 365.458 3.636 1 0 FHAFLN COc1ccccc1/C=C/Cn1cc(C(=O)O)c(=O)c2cccc(F)c21 ZINC000071340749 221343770 /nfs/dbraw/zinc/34/37/70/221343770.db2.gz LDKJRCWKGLJOSP-FNORWQNLSA-N 0 2 353.349 3.561 1 0 FHAFLN CC1(C)C=Cc2cc(-c3cc(O)c4c(=O)cc(O)cc-4o3)cc(O)c2O1 ZINC000015119492 291075593 /nfs/dbraw/zinc/07/55/93/291075593.db2.gz FIKLOAGOJKGOFT-UHFFFAOYSA-N 0 2 352.342 3.761 1 0 biogenic,in-vitro FHAFLN COc1c(C)cc(O)c(C(=O)c2c(O)ccc3c2OC(C)(C)C=C3)c1C=O ZINC000013373323 220066064 /nfs/dbraw/zinc/06/60/64/220066064.db2.gz MEPDGCUSJWFRRO-UHFFFAOYSA-N 0 2 368.385 3.643 1 0 FHAFLN CNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2c(C)c1N1CCC(C)CC1 ZINC000101495864 132234129 /nfs/dbraw/zinc/23/41/29/132234129.db2.gz CPXAEAMESOWUSN-UHFFFAOYSA-N 0 2 369.465 3.621 1 0 FHAFLN O=c1[nH]c(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)ccc1O ZINC000013587047 220077109 /nfs/dbraw/zinc/07/71/09/220077109.db2.gz PHWHYZMFGGOJEU-UHFFFAOYSA-N 0 2 355.703 3.605 1 0 FHAFLN CCCC(=O)Oc1c(OC)cc(=O)c2c(O)c(O)c(-c3ccccc3)oc1-2 ZINC000014757311 220131905 /nfs/dbraw/zinc/13/19/05/220131905.db2.gz HVJUOMVSARTYMR-UHFFFAOYSA-N 0 2 370.357 3.585 1 0 FHAFLN COc1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1 ZINC000071340457 221343662 /nfs/dbraw/zinc/34/36/62/221343662.db2.gz WBMSYXAOBYXAOC-ONEGZZNKSA-N 0 2 353.349 3.561 1 0 FHAFLN O=c1c(O)c(Nc2cc(Cl)c(Oc3ccc(O)cc3)c(Cl)c2)c1=O ZINC000101624931 222279529 /nfs/dbraw/zinc/27/95/29/222279529.db2.gz QKNBIFZGIXRUTN-UHFFFAOYSA-N 0 2 366.156 3.537 1 0 FHAFLN Cn1[nH]c2c(c1=O)[C@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 ZINC000102854145 222310585 /nfs/dbraw/zinc/31/05/85/222310585.db2.gz AIXDLJSJCJOIBM-XLIONFOSSA-N 0 2 352.409 3.928 1 0 FHAFLN O=S(=O)(Nc1ccncc1Nc1cccc(Cl)c1)C(F)(F)F ZINC000049554550 221025920 /nfs/dbraw/zinc/02/59/20/221025920.db2.gz YFYONHYUUJDOCL-UHFFFAOYSA-N 0 2 351.737 3.740 1 0 FHAFLN O=C([O-])c1ccc2c(c1)[nH+]c(CCc1ccccn1)n2Cc1ccccc1 ZINC000053297568 221045258 /nfs/dbraw/zinc/04/52/58/221045258.db2.gz UHLYVYWPEZLFJL-UHFFFAOYSA-N 0 2 357.413 3.963 1 0 FHAFLN O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CCCCC3)c(F)cc2c1=O ZINC000026952482 136153338 /nfs/dbraw/zinc/15/33/38/136153338.db2.gz MVXLDPRRAAVKTB-UHFFFAOYSA-N 0 2 364.804 3.817 1 0 FHAFLN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCCC[C@H]1O ZINC000103205808 222325413 /nfs/dbraw/zinc/32/54/13/222325413.db2.gz JSGSCRWSGFLCOR-CHWSQXEVSA-N 0 2 371.808 3.794 1 0 FHAFLN CC[C@@H]1CC[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678237 222280932 /nfs/dbraw/zinc/28/09/32/222280932.db2.gz ASUPALFNMIVBLS-CZUORRHYSA-N 0 2 362.857 3.642 1 0 FHAFLN CC[C@@H]1CC[C@@H](n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678237 222280936 /nfs/dbraw/zinc/28/09/36/222280936.db2.gz ASUPALFNMIVBLS-CZUORRHYSA-N 0 2 362.857 3.642 1 0 FHAFLN COc1c(O)c2c(=O)cc3c(c-2oc1-c1ccc(O)cc1)C(C)(C)[C@H](C)O3 ZINC000014825101 291076951 /nfs/dbraw/zinc/07/69/51/291076951.db2.gz QJGHPSMBMKFFEE-JTQLQIEISA-N 0 2 368.385 3.938 1 0 biogenic,in-vitro FHAFLN O=c1c(O)ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1O ZINC000013775886 220093602 /nfs/dbraw/zinc/09/36/02/220093602.db2.gz PBENIDJHUPQZDC-UHFFFAOYSA-N 0 2 366.213 3.868 1 0 FHAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3cc(C)nc(C)c3)c(F)c21 ZINC000013832970 220096721 /nfs/dbraw/zinc/09/67/21/220096721.db2.gz ZQZJGSJCJYPTBV-UHFFFAOYSA-N 0 2 358.344 3.677 1 0 FHAFLN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCC[C@@H]1O ZINC000103205806 222325453 /nfs/dbraw/zinc/32/54/53/222325453.db2.gz JSGSCRWSGFLCOR-STQMWFEESA-N 0 2 371.808 3.794 1 0 FHAFLN O=S(=O)(Nc1ccncc1Nc1ccccc1Cl)C(F)(F)F ZINC000049372264 221021709 /nfs/dbraw/zinc/02/17/09/221021709.db2.gz ZLOZBOGSCGGPFN-UHFFFAOYSA-N 0 2 351.737 3.740 1 0 FHAFLN Cc1nc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cs1 ZINC000101467278 222275577 /nfs/dbraw/zinc/27/55/77/222275577.db2.gz NAQDKJULLXUIRY-UHFFFAOYSA-N 0 2 355.448 3.530 1 0 FHAFLN C[C@H]1CCCC[C@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O ZINC000101678213 222281182 /nfs/dbraw/zinc/28/11/82/222281182.db2.gz JGNHOVKHRJQKTI-XJKSGUPXSA-N 0 2 362.857 3.642 1 0 FHAFLN C[C@H]1CCCC[C@H]1n1c(O)cc(=O)n(CCc2cccc(Cl)c2)c1=O ZINC000101678213 222281184 /nfs/dbraw/zinc/28/11/84/222281184.db2.gz JGNHOVKHRJQKTI-XJKSGUPXSA-N 0 2 362.857 3.642 1 0 FHAFLN CCCC(=O)c1c2c(c(O)c3c(CCC)cc(=O)oc13)C[C@@H](O)C(C)(C)O2 ZINC000014586087 571712934 /nfs/dbraw/zinc/71/29/34/571712934.db2.gz JKOPHYFSGRCMOF-CQSZACIVSA-N 0 2 374.433 3.508 1 0 endogenous,in-man FHAFLN O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2ncccc2c1=O ZINC000049069650 221019137 /nfs/dbraw/zinc/01/91/37/221019137.db2.gz ZLGFFOIACZAPJN-UHFFFAOYSA-N 0 2 356.381 3.810 1 0 FHAFLN CC1(C)CCC[C@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O ZINC000101678257 222280330 /nfs/dbraw/zinc/28/03/30/222280330.db2.gz MTWKHJUQYFVCHB-OAHLLOKOSA-N 0 2 362.857 3.642 1 0 FHAFLN CC1(C)CCC[C@H]1n1c(O)cc(=O)n(CCc2cccc(Cl)c2)c1=O ZINC000101678257 222280331 /nfs/dbraw/zinc/28/03/31/222280331.db2.gz MTWKHJUQYFVCHB-OAHLLOKOSA-N 0 2 362.857 3.642 1 0 FHAFLN CC(C)(Cn1c(O)cc(=O)n(C2CCCC2)c1=O)c1cccc(Cl)c1 ZINC000101678006 222280855 /nfs/dbraw/zinc/28/08/55/222280855.db2.gz NCMWKCBRKVEZIW-UHFFFAOYSA-N 0 2 362.857 3.741 1 0 FHAFLN CC(C)(Cn1c(=O)cc(O)n(C2CCCC2)c1=O)c1cccc(Cl)c1 ZINC000101678006 222280858 /nfs/dbraw/zinc/28/08/58/222280858.db2.gz NCMWKCBRKVEZIW-UHFFFAOYSA-N 0 2 362.857 3.741 1 0 FHAFLN