COC1=CC(=O)C[C@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000000537809 88/13/43/203881343 DDUHZTYCFQRHIY-WNWIJWBNSA-N 0 352.77 FF 2.81 0 Mild ref FFEARN COC1=CC(=O)C[C@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC ZINC000000537874 22/46/68/506224668 QQQIECGTIMUVDS-UHFFFAOYSA-N 0 358.438 FF 2.574 3 Anodyne high FFAAHN COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC world COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC ZINC000000537874 22/46/61/506224661 QQQIECGTIMUVDS-UHFFFAOYSA-N 1 358.438 FF 2.574 0 Anodyne ref FFAARO COc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1OC world Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@H]1C ZINC000000601254 22/14/47/525221447 AQCHWTWZEMGIFD-SNVBAGLBSA-N 0 365.842 FF 2.714 0 Anodyne ref FFAARN Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@H]1C fda C[N+]12CCC(CC1)[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 ZINC000000601316 81/59/46/206815946 HOOSGZJRQIVJSZ-WEQDKIBNSA-N 1 352.454 FF 2.705 0 Bother ref FFBARO C[N+]12CCC(CC1)[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 fda O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000000601826 22/46/97/506224697 ZLHZLMOSPGACSZ-LLVKDONJSA-N 0 359.26 FF 2.668 0 Bother ref FFBARN O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12 ZINC000000607939 22/45/61/506224561 HMJIYCCIJYRONP-INIZCTEOSA-N 0 371.393 FF 2.582 0 Anodyne ref FFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12 fda COC1=CC(=O)C[C@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000000622120 30/57/81/219305781 DDUHZTYCFQRHIY-QPFGOUBPSA-N 0 352.77 FF 2.81 0 Mild ref FFEARN COC1=CC(=O)C[C@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000000622123 30/58/23/219305823 DDUHZTYCFQRHIY-RBHXEPJQSA-N 0 352.77 FF 2.81 0 Mild ref FFEARN COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O fda biogenic COC1=CC(=O)C[C@@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000000622126 25/17/81/210251781 DDUHZTYCFQRHIY-CQLKUDPESA-N 0 352.77 FF 2.81 0 Mild ref FFEARN COC1=CC(=O)C[C@@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC ZINC000000725713 23/01/83/506230183 FSPQCTGGIANIJZ-UHFFFAOYSA-N 0 360.435 FF 2.995 0 Anodyne ref FFAARN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC in-vitro biogenic O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000783201 32/05/14/219320514 MWSUIZKGNWELRF-UHFFFAOYSA-N 0 361.612 FF 2.649 0 Anodyne ref FFAARN O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 in-vitro CNC[C@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 ZINC000000896507 33/78/10/219337810 OCUJLLGVOUDECM-ZDUSSCGKSA-N 1 351.443 FF 2.842 0 Anodyne ref FFAARO C[NH2+]C[C@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 world Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@@H]1C ZINC000000896755 37/91/43/132379143 AQCHWTWZEMGIFD-JTQLQIEISA-N 0 365.842 FF 2.714 0 Anodyne ref FFAARN Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@@H]1C fda COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O ZINC000000899931 33/82/20/219338220 NQWVSMVXKMHKTF-CVEARBPZSA-N 0 372.417 FF 2.992 0 Anodyne ref FFAARN COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O in-vitro biogenic CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000001069082 31/28/65/210312865 RXPRRQLKFXBCSJ-GIVPXCGWSA-N 1 354.45 FF 2.953 2 Anodyne low FFAALO CC[C@]12CCC[N@H+]3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 in-man biogenic CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000001069082 31/28/61/210312861 RXPRRQLKFXBCSJ-GIVPXCGWSA-N 1 354.45 FF 2.953 2 Anodyne low FFAALO CC[C@]12CCC[N@@H+]3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 in-man biogenic CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000001069082 31/28/59/210312859 RXPRRQLKFXBCSJ-GIVPXCGWSA-N 0 354.45 FF 2.953 0 Anodyne ref FFAARN CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 in-man biogenic COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 ZINC000001280038 17/33/14/210173314 BLGXFZZNTVWLAY-RWULDMNWSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 in-vitro biogenic COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 ZINC000001280038 17/33/09/210173309 BLGXFZZNTVWLAY-RWULDMNWSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 in-vitro biogenic COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 ZINC000001280038 17/33/01/210173301 BLGXFZZNTVWLAY-RWULDMNWSA-N 0 354.45 FF 2.647 0 Anodyne ref FFAARN COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 in-vitro biogenic CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 ZINC000001482950 26/45/90/506264590 IRNJSRAGRIZIHD-KRWDZBQOSA-N 0 370.43 FF 2.8 2 Anodyne low FFAALN CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 investigational CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 ZINC000001482950 26/45/84/506264584 IRNJSRAGRIZIHD-KRWDZBQOSA-N -1 370.43 FF 2.8 0 Anodyne ref FFAARM CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1 investigational COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C ZINC000001530935 35/87/28/210358728 YREYEVIYCVEVJK-RUZDIDTESA-N 0 359.451 FF 2.989 0 Anodyne ref FFAARN COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C fda CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO ZINC000001538192 26/43/82/506264382 ARBYGDBJECGMGA-UHFFFAOYSA-N 0 369.343 FF 2.897 0 Mild ref FFEARN CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O ZINC000001615343 01/38/76/204013876 NQWVSMVXKMHKTF-HOTGVXAUSA-N 0 372.417 FF 2.992 0 Anodyne ref FFAARN COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O in-vitro biogenic COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O ZINC000001615344 26/60/04/506266004 NQWVSMVXKMHKTF-JKSUJKDBSA-N 0 372.417 FF 2.992 0 Anodyne ref FFAARN COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O in-man endogenous COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O ZINC000001615345 26/72/66/506267266 NQWVSMVXKMHKTF-HZPDHXFCSA-N 0 372.417 FF 2.992 0 Anodyne ref FFAARN COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc(OC)c(OC)c2)ccc1O in-vitro biogenic COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O ZINC000002083344 27/08/87/506270887 BLGXFZZNTVWLAY-SHXNRTNRSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@H]2CC[C@H]1O in-vitro biogenic COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O ZINC000002083344 27/08/85/506270885 BLGXFZZNTVWLAY-SHXNRTNRSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@H]2CC[C@H]1O in-vitro biogenic COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O ZINC000002083344 27/08/79/506270879 BLGXFZZNTVWLAY-SHXNRTNRSA-N 0 354.45 FF 2.647 0 Anodyne ref FFAARN COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O in-vitro biogenic CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 ZINC000003784715 35/00/27/506350027 IRNJSRAGRIZIHD-QGZVFWFLSA-N 0 370.43 FF 2.8 2 Anodyne low FFAALN CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 investigational CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 ZINC000003784715 35/00/23/506350023 IRNJSRAGRIZIHD-QGZVFWFLSA-N -1 370.43 FF 2.8 0 Anodyne ref FFAARM CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1 investigational O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000003821675 99/16/31/206991631 ZLHZLMOSPGACSZ-NSHDSACASA-N 0 359.26 FF 2.668 0 Bother ref FFBARN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 investigational C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 ZINC000003830579 11/13/67/204111367 HOOSGZJRQIVJSZ-GTPZEUEISA-N 1 352.454 FF 2.705 0 Bother ref FFBARO C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 fda COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003860825 34/98/10/506349810 BLGXFZZNTVWLAY-SCYLSFHTSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 world biogenic COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003860825 34/98/08/506349808 BLGXFZZNTVWLAY-SCYLSFHTSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 world biogenic COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003860825 34/98/03/506349803 BLGXFZZNTVWLAY-SCYLSFHTSA-N 1 354.45 FF 2.647 0 Anodyne ref FFAARO COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 world biogenic CNC[C@@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 ZINC000003872317 35/10/00/506351000 OCUJLLGVOUDECM-CYBMUJFWSA-N 1 351.443 FF 2.842 0 Anodyne ref FFAARO C[NH2+]C[C@@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 world CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 ZINC000003875028 49/58/73/210495873 LOGJQOUIVKBFGH-YBEGLDIGSA-N 0 371.462 FF 2.637 0 Anodyne ref FFAARN CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 aggregator in-vivo CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 ZINC000003875273 35/19/71/506351971 RXPRRQLKFXBCSJ-HLAWJBBLSA-N 1 354.45 FF 2.953 2 Anodyne low FFAALO CC[C@]12CCC[N@H+]3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 world biogenic CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 ZINC000003875273 35/19/65/506351965 RXPRRQLKFXBCSJ-HLAWJBBLSA-N 1 354.45 FF 2.953 2 Anodyne low FFAALO CC[C@]12CCC[N@@H+]3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 world biogenic CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 ZINC000003875273 35/19/58/506351958 RXPRRQLKFXBCSJ-HLAWJBBLSA-N 0 354.45 FF 2.953 0 Anodyne ref FFAARN CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 world biogenic CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 ZINC000003982174 35/33/45/506353345 HWKROQUZSKPIKQ-MRXNPFEDSA-N 0 352.5 FF 2.667 3 Anodyne high FFAAHN CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc([O-])c2)CC1 in-vivo CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 ZINC000003982174 35/33/33/506353333 HWKROQUZSKPIKQ-MRXNPFEDSA-N 1 352.5 FF 2.667 0 Anodyne ref FFAARO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 in-vivo COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)[C@@H](OC)CC(=O)C[C@H]1C ZINC000004245623 36/63/38/506366338 IIUZTXTZRGLYTI-DSISRMJSSA-N 0 354.786 FF 2.685 0 Anodyne ref FFABRN COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)[C@@H](OC)CC(=O)C[C@H]1C world COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)[C@H](C)CC(=O)C[C@H]1OC ZINC000004245625 00/98/36/207009836 IIUZTXTZRGLYTI-GHRXZXLISA-N 0 354.786 FF 2.685 0 Anodyne ref FFABRN COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)[C@H](C)CC(=O)C[C@H]1OC world COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C ZINC000004618208 03/16/56/207031656 YREYEVIYCVEVJK-VWLOTQADSA-N 0 359.451 FF 2.989 0 Anodyne ref FFAARN COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C fda COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC ZINC000005732527 19/78/53/206197853 TUGWPJJTQNLKCL-UHFFFAOYSA-N -2 360.318 FF 2.603 3 Anodyne high FFAAHL COc1cc(-c2coc3cc([O-])c(OC)c([O-])c3c2=O)cc(O)c1OC in-vitro biogenic COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC ZINC000005732527 19/78/49/206197849 TUGWPJJTQNLKCL-UHFFFAOYSA-N 0 360.318 FF 2.603 1 Anodyne mid FFAAMN COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC in-vitro biogenic COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC ZINC000005732527 19/78/43/206197843 TUGWPJJTQNLKCL-UHFFFAOYSA-N -1 360.318 FF 2.603 0 Anodyne ref FFAARM COc1cc(-c2coc3cc([O-])c(OC)c(O)c3c2=O)cc(O)c1OC in-vitro biogenic COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O ZINC000005997298 46/47/21/506464721 BLGXFZZNTVWLAY-WCCTWHCSSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@H]2CC[C@H]1O in-vitro biogenic COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O ZINC000005997298 46/47/16/506464716 BLGXFZZNTVWLAY-WCCTWHCSSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@H]2CC[C@H]1O in-vitro biogenic COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O ZINC000005997298 46/47/07/506464707 BLGXFZZNTVWLAY-WCCTWHCSSA-N 0 354.45 FF 2.647 0 Anodyne ref FFAARN COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1O in-vitro biogenic CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 ZINC000006013420 46/43/15/506464315 HWKROQUZSKPIKQ-INIZCTEOSA-N 0 352.5 FF 2.667 3 Anodyne high FFABHN CC1CC[NH+](CC[C@@H]2CCCN2S(=O)(=O)c2cccc([O-])c2)CC1 in-vitro CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 ZINC000006013420 46/42/98/506464298 HWKROQUZSKPIKQ-INIZCTEOSA-N 1 352.5 FF 2.667 0 Anodyne ref FFABRO CC1CC[NH+](CC[C@@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 in-vitro O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 ZINC000009330879 36/35/09/204363509 ALLWOAVDORUJLA-INIZCTEOSA-N -1 370.792 FF 2.607 0 Anodyne ref FFAARM O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)[O-])c1ccc(Cl)cc1 world O=C(N[C@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 ZINC000009330880 69/13/23/506691323 ALLWOAVDORUJLA-MRXNPFEDSA-N -1 370.792 FF 2.607 0 Anodyne ref FFAARM O=C(N[C@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)[O-])c1ccc(Cl)cc1 world CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccccn1 ZINC000012358049 85/36/01/506853601 HCDYSWMAMRPMST-QINSGFPZSA-N 1 355.419 FF 2.921 2 Anodyne low FFAALO CN(CCOc1ccc(C=C2SC(=O)NC2=O)cc1)c1cccc[nH+]1 CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccccn1 ZINC000012358049 85/35/94/506853594 HCDYSWMAMRPMST-QINSGFPZSA-N -1 355.419 FF 2.921 1 Anodyne mid FFAAMM CN(CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1ccccn1 CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccccn1 ZINC000012358049 85/35/82/506853582 HCDYSWMAMRPMST-QINSGFPZSA-N 0 355.419 FF 2.921 0 Anodyne ref FFAARN CN(CCOc1ccc(C=C2SC(=O)NC2=O)cc1)c1ccccn1 COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 ZINC000013783427 18/15/48/210181548 BLGXFZZNTVWLAY-LRTZBTEVSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 in-vitro biogenic COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 ZINC000013783427 18/15/42/210181542 BLGXFZZNTVWLAY-LRTZBTEVSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 in-vitro biogenic COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 ZINC000013783427 18/15/36/210181536 BLGXFZZNTVWLAY-LRTZBTEVSA-N 1 354.45 FF 2.647 0 Anodyne ref FFAARO COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 in-vitro biogenic COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 ZINC000013985942 96/07/80/506960780 MYQAUKPBNJWPIE-UHFFFAOYSA-N 1 366.421 FF 2.828 1 Anodyne mid FFAAMO COc1ccc(COc2ccc(Cc3c[nH+]c(N)nc3N)cc2OC)cc1 in-vitro COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 ZINC000013985942 96/07/66/506960766 MYQAUKPBNJWPIE-UHFFFAOYSA-N 0 366.421 FF 2.828 0 Anodyne ref FFAARN COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 in-vitro CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)cc2)NC(=O)N1 ZINC000014954339 59/22/80/204592280 HEAIGWIZTYAQTC-QGZVFWFLSA-N 0 365.368 FF 2.969 0 Anodyne ref FFAARN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@@H](c2ccc(F)cc2)NC(=O)N1 CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(F)cc2)NC(=O)N1 ZINC000014954344 10/66/91/211106691 HEAIGWIZTYAQTC-KRWDZBQOSA-N 0 365.368 FF 2.969 0 Anodyne ref FFAARN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@H](c2ccc(F)cc2)NC(=O)N1 in-vitro CN1CCc2cc3c(cc2[C@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019632769 28/13/83/220281383 IYGYMKDQCDOMRE-ROUUACIJSA-N 1 367.357 FF 2.585 2 Anodyne low FFAALO C[N@H+]1CCc2cc3c(cc2[C@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic CN1CCc2cc3c(cc2[C@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019632769 28/13/80/220281380 IYGYMKDQCDOMRE-ROUUACIJSA-N 1 367.357 FF 2.585 2 Anodyne low FFAALO C[N@@H+]1CCc2cc3c(cc2[C@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic CN1CCc2cc3c(cc2[C@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019632769 28/13/76/220281376 IYGYMKDQCDOMRE-ROUUACIJSA-N 0 367.357 FF 2.585 0 Anodyne ref FFAARN CN1CCc2cc3c(cc2[C@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic CN1CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019899010 20/60/90/507206090 IYGYMKDQCDOMRE-QZTJIDSGSA-N 1 367.357 FF 2.585 2 Anodyne low FFAALO C[N@H+]1CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic CN1CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019899010 20/60/84/507206084 IYGYMKDQCDOMRE-QZTJIDSGSA-N 1 367.357 FF 2.585 2 Anodyne low FFAALO C[N@@H+]1CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic CN1CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019899010 20/60/80/507206080 IYGYMKDQCDOMRE-QZTJIDSGSA-N 0 367.357 FF 2.585 0 Anodyne ref FFAARN CN1CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019899011 30/31/84/220303184 IYGYMKDQCDOMRE-ZWKOTPCHSA-N 1 367.357 FF 2.585 2 Anodyne low FFAALO C[N@H+]1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 biogenic in-vivo CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019899011 30/31/81/220303181 IYGYMKDQCDOMRE-ZWKOTPCHSA-N 1 367.357 FF 2.585 2 Anodyne low FFAALO C[N@@H+]1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 biogenic in-vivo CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000019899011 30/31/75/220303175 IYGYMKDQCDOMRE-ZWKOTPCHSA-N 0 367.357 FF 2.585 0 Anodyne ref FFAARN CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 biogenic in-vivo Cc1ccc(CN2CCNCC2)cc1NC(=O)CNc1ccc(F)c(F)c1 ZINC000022454014 38/70/43/220387043 GRUWKTIRBBPZSD-UHFFFAOYSA-N 1 374.435 FF 2.729 0 Anodyne ref FFAARO Cc1ccc(CN2CC[NH2+]CC2)cc1NC(=O)CNc1ccc(F)c(F)c1 in-vitro OCCOCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000022940589 32/07/25/507320725 SHDFUNGIHDOLQM-UHFFFAOYSA-N 1 356.466 FF 2.605 2 Anodyne low FFAALO OCCOCCN1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 in-vitro OCCOCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000022940589 32/07/17/507320717 SHDFUNGIHDOLQM-UHFFFAOYSA-N 1 356.466 FF 2.605 1 Anodyne mid FFAAMO OCCOCC[NH+]1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 in-vitro OCCOCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000022940589 32/06/99/507320699 SHDFUNGIHDOLQM-UHFFFAOYSA-N 0 356.466 FF 2.605 0 Anodyne ref FFAARN OCCOCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 in-vitro CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000031375428 81/93/95/507819395 RXPRRQLKFXBCSJ-JBACZVJFSA-N 1 354.45 FF 2.953 2 Anodyne low FFAALO CC[C@]12CCC[N@H+]3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000031375428 81/93/94/507819394 RXPRRQLKFXBCSJ-JBACZVJFSA-N 1 354.45 FF 2.953 2 Anodyne low FFAALO CC[C@]12CCC[N@@H+]3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000031375428 81/93/93/507819393 RXPRRQLKFXBCSJ-JBACZVJFSA-N 0 354.45 FF 2.953 0 Anodyne ref FFAARN CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 CN1CCc2cc3c(cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000031502675 81/97/29/507819729 IYGYMKDQCDOMRE-MSOLQXFVSA-N 1 367.357 FF 2.585 2 Anodyne low FFAALO C[N@H+]1CCc2cc3c(cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic CN1CCc2cc3c(cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000031502675 81/97/28/507819728 IYGYMKDQCDOMRE-MSOLQXFVSA-N 1 367.357 FF 2.585 2 Anodyne low FFAALO C[N@@H+]1CCc2cc3c(cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic CN1CCc2cc3c(cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 ZINC000031502675 81/97/27/507819727 IYGYMKDQCDOMRE-MSOLQXFVSA-N 0 367.357 FF 2.585 0 Anodyne ref FFAARN CN1CCc2cc3c(cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 in-vitro biogenic NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1 ZINC000033359230 35/70/48/506357048 IAYGCINLNONXHY-LBPRGKRZSA-N 1 362.43 FF 2.527 0 Anodyne ref FFAARO NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCC[NH2+]C1 investigational NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@@H]1CCCNC1 ZINC000034885165 37/21/42/506372142 IAYGCINLNONXHY-GFCCVEGCSA-N 1 362.43 FF 2.527 0 Anodyne ref FFABRO NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@@H]1CCC[NH2+]C1 in-vitro CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 ZINC000036020457 39/49/30/506394930 RXPRRQLKFXBCSJ-SESVDKBCSA-N 1 354.45 FF 2.953 2 Anodyne low FFAALO CC[C@]12CCC[N@H+]3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 ZINC000036020457 39/49/23/506394923 RXPRRQLKFXBCSJ-SESVDKBCSA-N 1 354.45 FF 2.953 2 Anodyne low FFAALO CC[C@]12CCC[N@@H+]3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 ZINC000036020457 39/49/12/506394912 RXPRRQLKFXBCSJ-SESVDKBCSA-N 0 354.45 FF 2.953 0 Anodyne ref FFAARN CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1cccnc1F ZINC000040979996 27/78/58/208277858 CJTLKLBSIFQKNT-UHFFFAOYSA-N 0 358.421 FF 2.659 0 Anodyne ref FFAARN Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1cccnc1F in-vitro COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1 ZINC000043199551 30/36/20/208303620 NETXMUIMUZJUTB-UHFFFAOYSA-N 0 370.405 FF 2.595 0 Anodyne ref FFAARN COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1 investigational COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1 ZINC000043200921 30/33/38/208303338 GGQCIOOSELPMBB-UHFFFAOYSA-N 0 370.434 FF 2.684 0 Anodyne ref FFAARN COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1 Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 ZINC000071257465 33/70/29/221337029 YOZBGTLTNGAVFU-UHFFFAOYSA-N -2 352.346 FF 2.856 3 Anodyne high FFAAHL Cc1nc(C(=O)NCC(=O)[O-])c([O-])c2ccc(Oc3ccccc3)cc12 investigational Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 ZINC000071257465 33/70/27/221337027 YOZBGTLTNGAVFU-UHFFFAOYSA-N -1 352.346 FF 2.856 0 Anodyne ref FFAARM Cc1nc(C(=O)NCC(=O)[O-])c(O)c2ccc(Oc3ccccc3)cc12 investigational CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000084403367 27/75/40/508277540 PVHUJELLJLJGLN-INIZCTEOSA-N 0 360.366 FF 2.566 0 Bother ref FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 world CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100001908 23/15/70/222231570 PVHUJELLJLJGLN-MRXNPFEDSA-N 0 360.366 FF 2.566 0 Bother ref FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 world COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12 ZINC000100001918 20/71/11/209207111 HMJIYCCIJYRONP-MRXNPFEDSA-N 0 371.393 FF 2.582 0 Anodyne ref FFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12 fda