CC(C)NC[C@@H](O)COc1cccc2ccccc12 ZINC000000020240 50/96/89/371509689 AQHHHDLHHXJYJD-CQSZACIVSA-N 1 259.349 CF 2.578 0 Anodyne ref CFAARO CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12 fda CCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000000051809 51/68/93/371516893 NUXMTIQMQARQAV-UHFFFAOYSA-N 0 250.323 CF 2.672 0 Clean ref CFCARN CCOC(=O)c1sc2nc(C)cc(C)c2c1N aggregator CC(C)NC[C@H](O)COc1cccc2ccccc12 ZINC000000056556 51/82/11/371518211 AQHHHDLHHXJYJD-AWEZNQCLSA-N 1 259.349 CF 2.578 0 Anodyne ref CFAARO CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12 fda biogenic O=C(O)COc1ccc(Br)cc1Cl ZINC000000064970 52/37/04/169523704 VCDBRFZHSIYFRO-UHFFFAOYSA-N -1 265.49 CF 2.566 0 Anodyne ref CFAARM O=C([O-])COc1ccc(Br)cc1Cl Cc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1 ZINC000000073807 52/41/09/371524109 QFJZPNSHJNCXMO-UHFFFAOYSA-N -1 276.361 CF 2.686 3 Anodyne high CFAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N)cc1 Cc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1 ZINC000000073807 52/41/03/371524103 QFJZPNSHJNCXMO-UHFFFAOYSA-N 0 276.361 CF 2.686 0 Anodyne ref CFAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1 O=C(O)c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000083322 52/54/38/371525438 FZGQSGHYCVVQEA-UHFFFAOYSA-N -1 259.236 CF 2.776 0 Anodyne ref CFAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(F)cc1 Cc1ccccc1OCC(=O)Nc1cccc(N)c1 ZINC000000097711 53/49/92/169534992 JLGQQBKVHWRQTL-UHFFFAOYSA-N 0 256.305 CF 2.595 0 Anodyne ref CFAARN Cc1ccccc1OCC(=O)Nc1cccc(N)c1 Cc1cc(Br)cc(C)c1OCC(=O)O ZINC000000131510 06/96/55/301069655 ADOYAWLBKFVKKZ-UHFFFAOYSA-N -1 259.099 CF 2.529 0 Anodyne ref CFAARM Cc1cc(Br)cc(C)c1OCC(=O)[O-] O=C(O)COc1ccc(Cl)cc1Br ZINC000000142868 55/24/73/169552473 IQFPVGBBDOCAMI-UHFFFAOYSA-N -1 265.49 CF 2.566 0 Anodyne ref CFAARM O=C([O-])COc1ccc(Cl)cc1Br CNc1ccccc1C(=O)NCCc1ccccc1 ZINC000000144247 55/28/24/169552824 QDLVHIXBWKCXDP-UHFFFAOYSA-N 0 254.333 CF 2.701 0 Anodyne ref CFAARN CNc1ccccc1C(=O)NCCc1ccccc1 CCOc1ccc(NC(=O)c2ccccc2N)cc1 ZINC000000198413 55/66/87/371556687 BSWXUOKYYNLILZ-UHFFFAOYSA-N 0 256.305 CF 2.92 0 Anodyne ref CFAARN CCOc1ccc(NC(=O)c2ccccc2N)cc1 CCOC(=O)c1sc2nc3c(cc2c1N)CCC3 ZINC000000207135 30/56/51/276305651 OIUVBEVNLBCGLH-UHFFFAOYSA-N 0 262.334 CF 2.544 0 Clean ref CFCARN CCOC(=O)c1sc2nc3c(cc2c1N)CCC3 Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000286765 57/84/80/371578480 RBJGYDGKXTYSSL-UHFFFAOYSA-N -1 282.752 CF 2.723 3 Anodyne high CFAAHM Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 in-vivo Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000286765 57/84/74/371578474 RBJGYDGKXTYSSL-UHFFFAOYSA-N 0 282.752 CF 2.723 0 Anodyne ref CFAARN Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 in-vivo Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1C ZINC000000286770 57/80/03/371578003 DTALSVTYPBXLQL-UHFFFAOYSA-N -1 276.361 CF 2.686 3 Anodyne high CFAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1C Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1C ZINC000000286770 57/79/88/371577988 DTALSVTYPBXLQL-UHFFFAOYSA-N 0 276.361 CF 2.686 0 Anodyne ref CFAARN Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1C Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c(C)c1 ZINC000000286772 57/80/50/371578050 URWZHEGLRDAZKP-UHFFFAOYSA-N -1 276.361 CF 2.686 3 Anodyne high CFAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)c(C)c1 Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c(C)c1 ZINC000000286772 57/80/44/371578044 URWZHEGLRDAZKP-UHFFFAOYSA-N 0 276.361 CF 2.686 0 Anodyne ref CFAARN Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c(C)c1 Cc1cc(C)c(NS(=O)(=O)c2ccc(N)cc2)c(C)c1 ZINC000000286799 57/79/43/371577943 XBMADYXUVVGVFF-UHFFFAOYSA-N -1 290.388 CF 2.995 3 Anodyne high CFAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(N)cc2)c(C)c1 Cc1cc(C)c(NS(=O)(=O)c2ccc(N)cc2)c(C)c1 ZINC000000286799 57/79/38/371577938 XBMADYXUVVGVFF-UHFFFAOYSA-N 0 290.388 CF 2.995 0 Anodyne ref CFAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(N)cc2)c(C)c1 O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000286854 46/86/08/296468608 PLVUIVUKKJTSDM-UHFFFAOYSA-N 0 254.257 CF 2.798 0 Anodyne ref CFAARN O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1 COc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 ZINC000000294280 57/93/11/371579311 XTTYEBLAICLDJE-UHFFFAOYSA-N -1 271.272 CF 2.646 0 Anodyne ref CFAARM COc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 Oc1ccc(Br)cc1Br ZINC000000358476 59/12/65/296591265 FAXWFCTVSHEODL-UHFFFAOYSA-N -1 251.905 CF 2.917 1 Anodyne mid CFAAMM [O-]c1ccc(Br)cc1Br in-man endogenous Oc1ccc(Br)cc1Br ZINC000000358476 59/12/63/296591263 FAXWFCTVSHEODL-UHFFFAOYSA-N 0 251.905 CF 2.917 0 Anodyne ref CFAARN Oc1ccc(Br)cc1Br in-man endogenous CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12 ZINC000000365889 59/71/46/371597146 AEWNSBCPMQKSLN-UHFFFAOYSA-N 0 275.304 CF 2.589 0 Anodyne ref CFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12 O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000000403496 27/42/51/304274251 ISPVACVJFUIDPD-UHFFFAOYSA-N -1 281.67 CF 2.827 0 Anodyne ref CFAARM O=C([O-])c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O in-vitro CCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21 ZINC000000406649 69/66/36/288696636 WNNSMMJBBOPPOT-UHFFFAOYSA-N -1 269.659 CF 2.512 0 Anodyne ref CFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Cl)cc21 in-vitro COc1cc(NCCC[C@@H](C)N)c2ncccc2c1 ZINC000001682298 69/70/40/371697040 NBAFIBBHADOTMU-LLVKDONJSA-N 1 259.353 CF 2.783 0 Anodyne ref CFAARO COc1cc(NCCC[C@@H](C)[NH3+])c2ncccc2c1 in-man O=C(O)c1ccc(OCCOc2ccccc2)cc1 ZINC000001710099 69/99/73/371699973 MIFKBDZVXBJUFX-UHFFFAOYSA-N -1 258.273 CF 2.843 0 Anodyne ref CFAARM O=C([O-])c1ccc(OCCOc2ccccc2)cc1 Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1 ZINC000001726706 70/30/97/371703097 CVPPUZPZPFOFPK-UHFFFAOYSA-N 0 276.357 CF 2.943 0 Mild ref CFEARN Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1 COc1cc(NCCC[C@H](C)N)c2ncccc2c1 ZINC000001814403 70/80/19/371708019 NBAFIBBHADOTMU-NSHDSACASA-N 1 259.353 CF 2.783 0 Anodyne ref CFAARO COc1cc(NCCC[C@H](C)[NH3+])c2ncccc2c1 in-man Cc1ccc(S(=O)(=O)OCCOc2ccccc2)cc1 ZINC000002171155 71/81/85/371718185 MSIGTXLXMVOOQD-UHFFFAOYSA-N 0 292.356 CF 2.779 0 Mild ref CFEARN Cc1ccc(S(=O)(=O)OCCOc2ccccc2)cc1 Cc1cc(C)cc(NS(=O)(=O)c2ccc(N)cc2)c1 ZINC000002572674 73/76/18/371737618 CZOMDJJAFZSMPA-UHFFFAOYSA-N -1 276.361 CF 2.686 3 Anodyne high CFAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(N)cc2)c1 Cc1cc(C)cc(NS(=O)(=O)c2ccc(N)cc2)c1 ZINC000002572674 73/76/06/371737606 CZOMDJJAFZSMPA-UHFFFAOYSA-N 0 276.361 CF 2.686 0 Anodyne ref CFAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(N)cc2)c1 CC(C)Oc1ccc(Br)cc1C(=O)O ZINC000002584128 74/12/05/371741205 KFUGUFQWYMSJBN-UHFFFAOYSA-N -1 259.099 CF 2.935 0 Anodyne ref CFAARM CC(C)Oc1ccc(Br)cc1C(=O)[O-] CCCOc1ccc(Br)cc1C(=O)O ZINC000002584164 81/43/28/169814328 XIKNXSROQAGMTA-UHFFFAOYSA-N -1 259.099 CF 2.936 0 Anodyne ref CFAARM CCCOc1ccc(Br)cc1C(=O)[O-] O=C(O)c1ccccc1OCCOc1ccccc1 ZINC000003243453 87/11/43/169871143 XTODKUCZLUADDH-UHFFFAOYSA-N -1 258.273 CF 2.843 0 Anodyne ref CFAARM O=C([O-])c1ccccc1OCCOc1ccccc1 O=C(O)CC12CC3CC(C1)CC(CC(=O)O)(C3)C2 ZINC000003864419 04/41/34/304044134 UTENGZNBNPABQE-UHFFFAOYSA-N -2 252.31 CF 2.522 0 Anodyne ref CFAARL O=C([O-])CC12CC3CC(C1)CC(CC(=O)[O-])(C3)C2 O=C(O)c1ccccc1C(=O)NCc1ccccc1Cl ZINC000004675958 87/19/28/371871928 SADGXAYKDYFNTN-UHFFFAOYSA-N -1 289.718 CF 2.968 0 Anodyne ref CFAARM O=C([O-])c1ccccc1C(=O)NCc1ccccc1Cl Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004821234 35/07/86/295350786 KZYCNMIZJOEZLC-UHFFFAOYSA-N 0 252.317 CF 2.862 0 Anodyne ref CFAARN Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 C[C@H](Oc1ccc(Cl)cc1Br)C(=O)O ZINC000005175409 07/35/89/170073589 PDZQJUYZUQKLAQ-YFKPBYRVSA-N -1 279.517 CF 2.954 0 Anodyne ref CFAARM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[O-] C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)O ZINC000005175410 07/38/01/170073801 PDZQJUYZUQKLAQ-RXMQYKEDSA-N -1 279.517 CF 2.954 0 Anodyne ref CFAARM C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[O-] O=C(O)c1cccc(OCCOc2ccccc2)c1 ZINC000006743468 23/86/03/170238603 CFHDMBNOZUXRQR-UHFFFAOYSA-N -1 258.273 CF 2.843 0 Anodyne ref CFAARM O=C([O-])c1cccc(OCCOc2ccccc2)c1 Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)O ZINC000006747040 06/97/18/301069718 BBGLAOVVZCRLDO-QMMMGPOBSA-N -1 273.126 CF 2.918 0 Anodyne ref CFAARM Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)[O-] Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)O ZINC000006747041 06/98/68/301069868 BBGLAOVVZCRLDO-MRVPVSSYSA-N -1 273.126 CF 2.918 0 Anodyne ref CFAARM Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)[O-] CCCOc1ccc(C(=O)O)cc1Br ZINC000007604064 29/31/07/170293107 HNYCNUXTGAESOF-UHFFFAOYSA-N -1 259.099 CF 2.936 0 Anodyne ref CFAARM CCCOc1ccc(C(=O)[O-])cc1Br C=CCOc1ccc(C(=O)O)cc1Br ZINC000007604073 29/33/65/170293365 YWAFFARJBVTYGN-UHFFFAOYSA-N -1 257.083 CF 2.712 0 Mild ref CFEARM C=CCOc1ccc(C(=O)[O-])cc1Br Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000009230392 36/74/72/170367472 WYQDSKAXZHUYQW-UHFFFAOYSA-N 0 252.745 CF 2.985 0 Anodyne ref CFAARN Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 CC(C)Oc1ccc(C(=O)O)cc1Br ZINC000012137035 53/88/43/397538843 NRSJYUSYBNFGAK-UHFFFAOYSA-N -1 259.099 CF 2.935 0 Anodyne ref CFAARM CC(C)Oc1ccc(C(=O)[O-])cc1Br C=CCNC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000012138149 47/02/09/170470209 JXPQIIYQBSJDFS-OAHLLOKOSA-N 0 254.333 CF 2.574 0 Mild ref CFEARN C=CCNC(=O)[C@@H](Cc1ccccc1)n1cccc1 C=CCNC(=O)[C@H](Cc1ccccc1)n1cccc1 ZINC000012138150 94/64/11/371946411 JXPQIIYQBSJDFS-HNNXBMFYSA-N 0 254.333 CF 2.574 0 Mild ref CFEARN C=CCNC(=O)[C@H](Cc1ccccc1)n1cccc1 CCN(CC)CCCC[C@H](C(N)=O)c1ccccc1 ZINC000012411614 96/00/81/371960081 YCRITHOZOPVWKM-HNNXBMFYSA-N 1 262.397 CF 2.768 0 Anodyne ref CFAARO CC[NH+](CC)CCCC[C@H](C(N)=O)c1ccccc1 CCN(CC)CCCC[C@@H](C(N)=O)c1ccccc1 ZINC000012411616 48/64/21/170486421 YCRITHOZOPVWKM-OAHLLOKOSA-N 1 262.397 CF 2.768 0 Anodyne ref CFAARO CC[NH+](CC)CCCC[C@@H](C(N)=O)c1ccccc1 CCCC(=O)Nc1ccc(NC(=O)CCCC(=O)O)cc1 ZINC000014838908 07/54/50/372075450 NQYALWFVXWRKMW-UHFFFAOYSA-N -1 292.335 CF 2.619 0 Anodyne ref CFAARM CCCC(=O)Nc1ccc(NC(=O)CCCC(=O)[O-])cc1 Cc1ccc(OCC(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000019736727 18/22/24/372182224 JMXLSKRTUDOWBP-UHFFFAOYSA-N 0 270.332 CF 2.903 0 Clean ref CFCARN Cc1ccc(OCC(=O)Nc2ccc(N)cc2)c(C)c1 COc1cc(CN)cc(Br)c1OCC(C)C ZINC000037506427 24/14/16/173241416 UZEFTHONQLYQBT-UHFFFAOYSA-N 1 288.185 CF 2.951 0 Anodyne ref CFAARO COc1cc(C[NH3+])cc(Br)c1OCC(C)C O=C(O)[C@H](Cc1ccccc1)/N=C(\O)c1ccccc1 ZINC000082060940 72/41/94/374724194 NPKISZUVEBESJI-AWEZNQCLSA-N -1 269.3 CF 2.687 0 Mild ref CFEARM O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 in-vitro CC(=O)Cc1cnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000095470288 45/91/17/375459117 BNJHMQIAJOAZOL-UHFFFAOYSA-N 0 262.29 CF 2.85 0 Bother ref CFBARN CC(=O)Cc1cnc(-c2ccc([N+](=O)[O-])cc2)s1