COC(=O)c1ccc(C=O)cc1 ZINC000000016592 13/08/70/168130870 FEIOASZZURHTHB-UHFFFAOYSA-N 0 164.16 AD 1.286 0 Anodyne ref ADAARN COC(=O)c1ccc(C=O)cc1 in-vitro biogenic Cc1cc(N)c(O)cc1C ZINC000000031294 92/39/98/342923998 JEASLLCHQHBBGM-UHFFFAOYSA-N 0 137.182 AD 1.591 0 Anodyne ref ADAARN Cc1cc(N)c(O)cc1C O=C(O)CCc1ccc2c(c1)OCO2 ZINC000000031306 33/94/03/169339403 UIYJGLLTSVRSBM-UHFFFAOYSA-N -1 194.186 AD 1.433 0 Anodyne ref ADAARM O=C([O-])CCc1ccc2c(c1)OCO2 in-vitro O=C(O)/C=C/C(=O)c1ccccc1 ZINC000000039041 33/46/24/169334624 PLPDHGOODMBBGN-VOTSOKGWSA-N -1 176.171 AD 1.51 0 Mild ref ADEARM O=C([O-])/C=C/C(=O)c1ccccc1 Cc1nc2ccc(O)cc2o1 ZINC000000039661 92/46/63/342924663 RZKJWYDRDBVDJJ-UHFFFAOYSA-N -1 149.149 AD 1.842 3 Anodyne high ADAAHM Cc1nc2ccc([O-])cc2o1 Cc1nc2ccc(O)cc2o1 ZINC000000039661 92/46/62/342924662 RZKJWYDRDBVDJJ-UHFFFAOYSA-N 0 149.149 AD 1.842 0 Anodyne ref ADAARN Cc1nc2ccc(O)cc2o1 O=[N+]([O-])c1ccc(-c2nnco2)cc1 ZINC000000050220 26/81/37/351268137 FBQDNDLFVIKPRJ-UHFFFAOYSA-N 0 191.146 AD 1.645 0 Bother ref ADBARN O=[N+]([O-])c1ccc(-c2nnco2)cc1 CC(=O)CCc1ccc2c(c1)OCO2 ZINC000000052601 24/54/93/166245493 TZJLGGWGVLADDN-UHFFFAOYSA-N 0 192.214 AD 1.937 0 Anodyne ref ADAARN CC(=O)CCc1ccc2c(c1)OCO2 in-man endogenous Nc1ccc(C(=O)c2ccncc2)cc1 ZINC000000056365 29/15/63/169291563 FFVZARAUVKUVRN-UHFFFAOYSA-N 0 198.225 AD 1.895 0 Anodyne ref ADAARN Nc1ccc(C(=O)c2ccncc2)cc1 CCN(CC)Cc1cc(N)ccc1O ZINC000000056448 16/91/33/167169133 KRQUHMFZMVSALZ-UHFFFAOYSA-N 1 194.278 AD 1.816 0 Clean ref ADCARO CC[NH+](CC)Cc1cc(N)ccc1O COc1cc2ccc(=O)oc2cc1O ZINC000000057733 24/04/74/168240474 RODXRVNMMDRFIK-UHFFFAOYSA-N -1 192.17 AD 1.507 3 Anodyne high ADAAHM COc1cc2ccc(=O)oc2cc1[O-] in-man aggregator endogenous COc1cc2ccc(=O)oc2cc1O ZINC000000057733 24/04/71/168240471 RODXRVNMMDRFIK-UHFFFAOYSA-N 0 192.17 AD 1.507 0 Anodyne ref ADAARN COc1cc2ccc(=O)oc2cc1O in-man aggregator endogenous O=c1ccc2cc(O)c(O)cc2o1 ZINC000000057908 26/90/81/351269081 ILEDWLMCKZNDJK-UHFFFAOYSA-N -1 178.143 AD 1.204 1 Clean mid ADCAMM O=c1ccc2cc(O)c([O-])cc2o1 in-man endogenous O=c1ccc2cc(O)c(O)cc2o1 ZINC000000057908 26/90/77/351269077 ILEDWLMCKZNDJK-UHFFFAOYSA-N 0 178.143 AD 1.204 0 Clean ref ADCARN O=c1ccc2cc(O)c(O)cc2o1 in-man endogenous Cc1cc(=O)oc2c(O)c(O)ccc12 ZINC000000058124 92/55/83/342925583 NWQBYMPNIJXFNQ-UHFFFAOYSA-N -1 192.17 AD 1.513 3 Clean high ADCAHM Cc1cc(=O)oc2c(O)c([O-])ccc12 in-vitro biogenic Cc1cc(=O)oc2c(O)c(O)ccc12 ZINC000000058124 92/55/80/342925580 NWQBYMPNIJXFNQ-UHFFFAOYSA-N 0 192.17 AD 1.513 0 Clean ref ADCARN Cc1cc(=O)oc2c(O)c(O)ccc12 in-vitro biogenic Cc1ccc(C(=O)O)o1 ZINC000000062699 92/54/42/342925442 OVOCLWJUABOAPL-UHFFFAOYSA-N -1 126.111 AD 1.286 0 Anodyne ref ADAARM Cc1ccc(C(=O)[O-])o1 in-man COc1ccccc1NC(=O)CC#N ZINC000000064992 92/54/59/342925459 DGWPHCCSFWYGHO-UHFFFAOYSA-N 0 190.202 AD 1.547 0 Mild ref ADEARN COc1ccccc1NC(=O)CC#N O=C(O)/C=C/C(=O)c1ccc(F)cc1 ZINC000000065213 33/44/90/169334490 CMSWGWOQRTZZAS-AATRIKPKSA-N -1 194.161 AD 1.649 0 Mild ref ADEARM O=C([O-])/C=C/C(=O)c1ccc(F)cc1 CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000000075519 25/43/25/167254325 MEUCVEVMNSNATL-UHFFFAOYSA-N 0 194.19 AD 1.345 0 Bother ref ADBARN CCNC(=O)c1ccccc1[N+](=O)[O-] Nc1ccc(-n2ccnc2)cc1 ZINC000000077202 29/01/64/169290164 LVOASPZGXNAHJI-UHFFFAOYSA-N 1 159.192 AD 1.454 2 Clean low ADCALO Nc1ccc(-n2cc[nH+]c2)cc1 Nc1ccc(-n2ccnc2)cc1 ZINC000000077202 29/01/62/169290162 LVOASPZGXNAHJI-UHFFFAOYSA-N 0 159.192 AD 1.454 0 Clean ref ADCARN Nc1ccc(-n2ccnc2)cc1 COc1cc(C=O)cc(Cl)c1O ZINC000000078232 23/24/36/168232436 ONIVKFDMLVBDRK-UHFFFAOYSA-N 0 186.594 AD 1.867 2 Anodyne low ADAALN COc1cc(C=O)cc(Cl)c1O COc1cc(C=O)cc(Cl)c1O ZINC000000078232 23/24/34/168232434 ONIVKFDMLVBDRK-UHFFFAOYSA-N -1 186.594 AD 1.867 0 Anodyne ref ADAARM COc1cc(C=O)cc(Cl)c1[O-] COC(=O)COc1ccc(OC)cc1 ZINC000000080449 09/29/38/168092938 BSXSJYBBILQLAS-UHFFFAOYSA-N 0 196.202 AD 1.247 0 Anodyne ref ADAARN COC(=O)COc1ccc(OC)cc1 COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000000080724 24/96/60/168249660 YTCRQCGRYCKYNO-UHFFFAOYSA-N 0 181.147 AD 1.416 0 Bother ref ADBARN COc1ccc(C=O)cc1[N+](=O)[O-] C[N+](C)(C)c1ccc(C=O)cc1 ZINC000000083942 99/16/59/170991659 DPICUSGMCNPSSA-UHFFFAOYSA-N 1 164.228 AD 1.696 0 Bother ref ADBARO C[N+](C)(C)c1ccc(C=O)cc1 NNc1ccc(Br)cc1 ZINC000000088596 23/74/66/169237466 NRESDXFFSNBDGP-UHFFFAOYSA-N 0 187.04 AD 1.735 0 Anodyne ref ADAARN NNc1ccc(Br)cc1 N#CCC(=O)Nc1ccccc1 ZINC000000091628 99/17/56/170991756 XCTQPMCULSZKLT-UHFFFAOYSA-N 0 160.176 AD 1.539 0 Mild ref ADEARN N#CCC(=O)Nc1ccccc1 Nc1ccc(C(F)(F)F)cc1N ZINC000000092915 29/15/94/169291594 RQWJHUJJBYMJMN-UHFFFAOYSA-N 0 176.141 AD 1.87 0 Anodyne ref ADAARN Nc1ccc(C(F)(F)F)cc1N in-vitro Cc1ccc(-n2ncc(C#N)c2N)cc1 ZINC000000093115 92/62/49/342926249 MJQOLPWOOIMZDA-UHFFFAOYSA-N 0 198.229 AD 1.635 0 Mild ref ADEARN Cc1ccc(-n2ncc(C#N)c2N)cc1 Cc1cccc(-n2ncc(C#N)c2N)c1 ZINC000000093138 92/64/53/342926453 VLJAYJZISRDURH-UHFFFAOYSA-N 0 198.229 AD 1.635 0 Mild ref ADEARN Cc1cccc(-n2ncc(C#N)c2N)c1 CCCn1ncc(C(=O)O)c1C ZINC000000094619 12/49/25/167124925 PIOSFPCYOZWBLH-UHFFFAOYSA-N -1 168.196 AD 1.3 0 Anodyne ref ADAARM CCCn1ncc(C(=O)[O-])c1C O=c1[nH]cnc2c1[nH]c1ccccc12 ZINC000000097867 41/74/97/169417497 SQKANMIJNAMTAQ-UHFFFAOYSA-N 0 185.186 AD 1.404 0 Anodyne ref ADAARN O=c1[nH]cnc2c1[nH]c1ccccc12 CCOC(=O)CNc1ccc(F)cc1 ZINC000000103752 33/50/69/167335069 GRCDHRQVZPLOIP-UHFFFAOYSA-N 0 197.209 AD 1.801 0 Anodyne ref ADAARN CCOC(=O)CNc1ccc(F)cc1 Nc1cccc2cccnc12 ZINC000000105176 29/75/02/169297502 WREVVZMUNPAPOV-UHFFFAOYSA-N 0 144.177 AD 1.817 0 Anodyne ref ADAARN Nc1cccc2cccnc12 in-vitro CCCc1cc2c(cc1N)OCO2 ZINC000000106347 10/30/57/167103057 DDSCEGQNNBUNEF-UHFFFAOYSA-N 0 179.219 AD 1.95 0 Anodyne ref ADAARN CCCc1cc2c(cc1N)OCO2 O=C(O)CCSc1ccccn1 ZINC000000113940 33/80/34/169338034 WXKRKQBCEWPFLB-UHFFFAOYSA-N -1 183.232 AD 1.648 0 Anodyne ref ADAARM O=C([O-])CCSc1ccccn1 CCOC(=O)c1sc(C)nc1C ZINC000000120231 37/86/84/167378684 BXOIIRQIGYJTTB-UHFFFAOYSA-N 0 185.248 AD 1.937 0 Anodyne ref ADAARN CCOC(=O)c1sc(C)nc1C in-vitro Nc1ccc(O)c2ncccc12 ZINC000000120515 29/25/68/169292568 YDEUKNRKEYICTH-UHFFFAOYSA-N 0 160.176 AD 1.523 0 Anodyne ref ADAARN Nc1ccc(O)c2ncccc12 in-vivo Cn1nc(C(C)(C)C)cc1C(=O)O ZINC000000122040 06/08/06/169060806 SFSXXMXHJOSBAZ-UHFFFAOYSA-N -1 182.223 AD 1.416 0 Anodyne ref ADAARM Cn1nc(C(C)(C)C)cc1C(=O)[O-] Cc1cc(C)c(O)c(N)c1 ZINC000000123145 92/73/82/342927382 GISWNAMJAQRJPC-UHFFFAOYSA-N 0 137.182 AD 1.591 0 Anodyne ref ADAARN Cc1cc(C)c(O)c(N)c1 O=C(O)c1ccc2nsnc2c1 ZINC000000128608 99/13/78/170991378 YHMXJZVGBCACMT-UHFFFAOYSA-N -1 180.188 AD 1.389 0 Anodyne ref ADAARM O=C([O-])c1ccc2nsnc2c1 in-vitro COC(=O)c1ccc(OC)c(C#N)c1 ZINC000000128852 13/30/19/168133019 RYJSFYBJYKFNCF-UHFFFAOYSA-N 0 191.186 AD 1.353 0 Mild ref ADEARN COC(=O)c1ccc(OC)c(C#N)c1 Cc1c(CCN)c2ccccc2n1C ZINC000000129265 92/78/91/342927891 KBEZJUQXXJDBDZ-UHFFFAOYSA-N 1 188.274 AD 1.988 0 Anodyne ref ADAARO Cc1c(CC[NH3+])c2ccccc2n1C Cc1cc(C)c([N+](=O)[O-])c(C)n1 ZINC000000129393 92/76/82/342927682 UQBHNBZGFVDCAH-UHFFFAOYSA-N 0 166.18 AD 1.915 0 Bother ref ADBARN Cc1cc(C)c([N+](=O)[O-])c(C)n1 Cc1[nH]c2ccccc2c1CCN ZINC000000140764 92/82/62/342928262 CPVSLHQIPGTMLH-UHFFFAOYSA-N 1 174.247 AD 1.978 0 Anodyne ref ADAARO Cc1[nH]c2ccccc2c1CC[NH3+] in-vitro O=C(O)c1ccc2cccnc2n1 ZINC000000151271 99/23/97/170992397 SNLMOXFUCILIPL-UHFFFAOYSA-N -1 174.159 AD 1.328 0 Anodyne ref ADAARM O=C([O-])c1ccc2cccnc2n1 Cc1occc1C(=O)O ZINC000000152320 01/21/07/169012107 CFGQZVOVFIZRMN-UHFFFAOYSA-N -1 126.111 AD 1.286 0 Anodyne ref ADAARM Cc1occc1C(=O)[O-] in-vitro COC(=O)c1ccc(C)c(N)c1 ZINC000000152678 13/06/01/168130601 YEPWCJHMSVABPQ-UHFFFAOYSA-N 0 165.192 AD 1.364 0 Anodyne ref ADAARN COC(=O)c1ccc(C)c(N)c1 COC(=O)c1ccc(N)c(C)c1 ZINC000000153331 13/24/04/168132404 ZHIPSMIKSRYZFV-UHFFFAOYSA-N 0 165.192 AD 1.364 0 Anodyne ref ADAARN COC(=O)c1ccc(N)c(C)c1 Cc1cc(N)c(N)cc1Cl ZINC000000153342 76/40/54/168764054 HOFKXNBVTNUDSH-UHFFFAOYSA-N 0 156.616 AD 1.813 0 Anodyne ref ADAARN Cc1cc(N)c(N)cc1Cl in-vitro Cc1cc(N)c(N)cc1C ZINC000000153351 92/85/19/342928519 XSZYBMMYQCYIPC-UHFFFAOYSA-N 0 136.198 AD 1.468 0 Anodyne ref ADAARN Cc1cc(N)c(N)cc1C in-vivo CC(C)Oc1cccc(CN)c1 ZINC000000153925 56/14/19/166561419 YRNFZPXUBVUYBJ-UHFFFAOYSA-N 1 165.236 AD 1.933 0 Anodyne ref ADAARO CC(C)Oc1cccc(C[NH3+])c1 O=C(O)CCc1ccc2c(c1)CCO2 ZINC000000154071 33/95/88/169339588 DPQFYUVHQLRVGR-UHFFFAOYSA-N -1 192.214 AD 1.639 0 Anodyne ref ADAARM O=C([O-])CCc1ccc2c(c1)CCO2 C[C@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000000154307 92/85/22/342928522 XJAMLZUKCSRXAF-ZETCQYMHSA-N 0 199.275 AD 1.11 3 Anodyne high ADAAHN C[C@H](N)c1ccc(S(C)(=O)=O)cc1 C[C@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000000154307 92/85/21/342928521 XJAMLZUKCSRXAF-ZETCQYMHSA-N 1 199.275 AD 1.11 0 Anodyne ref ADAARO C[C@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 C[C@@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000000154311 37/07/59/168370759 XJAMLZUKCSRXAF-SSDOTTSWSA-N 0 199.275 AD 1.11 3 Anodyne high ADAAHN C[C@@H](N)c1ccc(S(C)(=O)=O)cc1 C[C@@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000000154311 37/07/56/168370756 XJAMLZUKCSRXAF-SSDOTTSWSA-N 1 199.275 AD 1.11 0 Anodyne ref ADAARO C[C@@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 Nc1ccc(C(F)(F)F)nc1 ZINC000000154421 29/11/85/169291185 IBOZOWZSXZNIHI-UHFFFAOYSA-N 0 162.114 AD 1.683 0 Anodyne ref ADAARN Nc1ccc(C(F)(F)F)nc1 O=Cc1cc2c(cc1Cl)OCO2 ZINC000000154575 27/15/94/351271594 VRNADRCOROWLJC-UHFFFAOYSA-N 0 184.578 AD 1.881 0 Anodyne ref ADAARN O=Cc1cc2c(cc1Cl)OCO2 O=C(O)C1(c2ccccc2)CC1 ZINC000000155890 92/89/38/342928938 IWWCCNVRNHTGLV-UHFFFAOYSA-N -1 162.188 AD 1.803 0 Anodyne ref ADAARM O=C([O-])C1(c2ccccc2)CC1 CO[C@H](C(=O)O)c1ccccc1 ZINC000000156675 21/22/76/168212276 DIWVBIXQCNRCFE-QMMMGPOBSA-N -1 166.176 AD 1.459 0 Anodyne ref ADAARM CO[C@H](C(=O)[O-])c1ccccc1 in-vitro N#Cc1ccc2cccc(O)c2n1 ZINC000000156915 92/93/39/342929339 KUQKKIBQVSFDHX-UHFFFAOYSA-N -1 170.171 AD 1.812 3 Mild high ADEAHM N#Cc1ccc2cccc([O-])c2n1 N#Cc1ccc2cccc(O)c2n1 ZINC000000156915 92/93/38/342929338 KUQKKIBQVSFDHX-UHFFFAOYSA-N 0 170.171 AD 1.812 0 Mild ref ADEARN N#Cc1ccc2cccc(O)c2n1 CCCC(=O)c1cc(O)c(O)cc1O ZINC000000156963 92/94/47/342929447 SRUQARLMFOLRDN-UHFFFAOYSA-N -1 196.202 AD 1.786 3 Clean high ADCAHM CCCC(=O)c1cc(O)c([O-])cc1O in-man endogenous CCCC(=O)c1cc(O)c(O)cc1O ZINC000000156963 92/94/44/342929444 SRUQARLMFOLRDN-UHFFFAOYSA-N 0 196.202 AD 1.786 0 Clean ref ADCARN CCCC(=O)c1cc(O)c(O)cc1O in-man endogenous COC(=O)c1ccc(C)nc1 ZINC000000157000 13/09/67/168130967 VYPPZXZHYDSBSJ-UHFFFAOYSA-N 0 151.165 AD 1.177 0 Anodyne ref ADAARN COC(=O)c1ccc(C)nc1 in-vitro O=C1CCCCCCCN1 ZINC000000157259 37/08/45/169370845 YDLSUFFXJYEVHW-UHFFFAOYSA-N 0 141.214 AD 1.457 0 Anodyne ref ADAARN O=C1CCCCCCCN1 CCOC(=O)Cc1ccc(N)cc1 ZINC000000157293 92/93/54/342929354 CFNDVXUTYPXOPG-UHFFFAOYSA-N 0 179.219 AD 1.374 0 Clean ref ADCARN CCOC(=O)Cc1ccc(N)cc1 CC(C)C(=O)Nc1ccc(N)cc1 ZINC000000157653 27/15/43/351271543 YZENEPXJSXLINE-UHFFFAOYSA-N 0 178.235 AD 1.863 0 Clean ref ADCARN CC(C)C(=O)Nc1ccc(N)cc1 CSc1nc(Cl)cc(=O)n1C ZINC000000158234 31/49/79/168314979 XRWGAJTXSJEBGR-UHFFFAOYSA-N 0 190.655 AD 1.156 0 Anodyne ref ADAARN CSc1nc(Cl)cc(=O)n1C c1cncc(-n2cccc2)c1 ZINC000000159254 27/24/98/351272498 SPFWVEKHAJYTGG-UHFFFAOYSA-N 0 144.177 AD 1.872 0 Anodyne ref ADAARN c1cncc(-n2cccc2)c1 CNCc1ccc(OC)cc1 ZINC000000161978 01/92/29/168019229 AIJFPNKGGAPZFJ-UHFFFAOYSA-N 1 151.209 AD 1.415 0 Anodyne ref ADAARO C[NH2+]Cc1ccc(OC)cc1 O=[N+]([O-])c1cccnc1Cl ZINC000000164421 41/42/56/169414256 UUOLETYDNTVQDY-UHFFFAOYSA-N 0 158.544 AD 1.643 0 Bother ref ADBARN O=[N+]([O-])c1cccnc1Cl Cc1ccc(NN)cc1Cl ZINC000000164931 82/78/19/168827819 LEJRMYYDQWYSGD-UHFFFAOYSA-N 0 156.616 AD 1.934 0 Anodyne ref ADAARN Cc1ccc(NN)cc1Cl Cc1ccc(C#N)c(Cl)n1 ZINC000000166495 93/07/22/342930722 YSBNBAYNISAUIT-UHFFFAOYSA-N 0 152.584 AD 1.915 0 Mild ref ADEARN Cc1ccc(C#N)c(Cl)n1 COC(=O)c1cccc(C)c1O ZINC000000166806 13/41/11/168134111 SUHLUMKZPUMAFP-UHFFFAOYSA-N 0 166.176 AD 1.487 0 Anodyne ref ADAARN COC(=O)c1cccc(C)c1O O=Cc1cccnc1Cl ZINC000000168332 40/57/55/169405755 KHPAGGHFIDLUMB-UHFFFAOYSA-N 0 141.557 AD 1.547 0 Anodyne ref ADAARN O=Cc1cccnc1Cl in-vitro NNc1cccc(Cl)n1 ZINC000000168495 23/82/33/169238233 HFTSPKIAXHZROA-UHFFFAOYSA-N 1 143.577 AD 1.021 1 Anodyne mid ADAAMO NNc1cccc(Cl)[nH+]1 NNc1cccc(Cl)n1 ZINC000000168495 23/82/31/169238231 HFTSPKIAXHZROA-UHFFFAOYSA-N 0 143.577 AD 1.021 0 Anodyne ref ADAARN NNc1cccc(Cl)n1 CC(=O)COc1ccccc1[N+](=O)[O-] ZINC000000168634 24/60/66/166246066 PYVMIAYOZLGBQM-UHFFFAOYSA-N 0 195.174 AD 1.563 0 Bother ref ADBARN CC(=O)COc1ccccc1[N+](=O)[O-] Cc1nc2ccc(N)cc2nc1C ZINC000000169546 93/08/82/342930882 QBZGAULXCVZXFL-UHFFFAOYSA-N 0 173.219 AD 1.829 0 Anodyne ref ADAARN Cc1nc2ccc(N)cc2nc1C N[C@H](CC(=O)O)c1ccsc1 ZINC000000170335 26/34/55/169263455 UPDVATYZQLTZOZ-ZCFIWIBFSA-N 0 171.221 AD 1.223 0 Anodyne ref ADAARN [NH3+][C@H](CC(=O)[O-])c1ccsc1 N[C@@H](CC(=O)O)c1ccsc1 ZINC000000170336 24/34/22/169243422 UPDVATYZQLTZOZ-LURJTMIESA-N 0 171.221 AD 1.223 0 Anodyne ref ADAARN [NH3+][C@@H](CC(=O)[O-])c1ccsc1 CCOc1ccc(-n2cnnn2)cc1 ZINC000000206162 27/34/35/351273435 WEQJMUDQTPVCMT-UHFFFAOYSA-N 0 190.206 AD 1.061 0 Anodyne ref ADAARN CCOc1ccc(-n2cnnn2)cc1 CC(=O)CC(=O)Nc1ccc(C)cc1 ZINC000000226125 23/83/58/166238358 MJGLMEMIYDUEHA-UHFFFAOYSA-N 0 191.23 AD 1.913 0 Anodyne ref ADAARN CC(=O)CC(=O)Nc1ccc(C)cc1 O=c1ccc2ccccc2n1O ZINC000000235908 27/43/16/351274316 NFNIRGPPIRJASP-UHFFFAOYSA-N -1 161.16 AD 1.239 3 Anodyne high ADAAHM O=c1ccc2ccccc2n1[O-] O=c1ccc2ccccc2n1O ZINC000000235908 27/43/08/351274308 NFNIRGPPIRJASP-UHFFFAOYSA-N 0 161.16 AD 1.239 0 Anodyne ref ADAARN O=c1ccc2ccccc2n1O COc1ccc(NCC(=O)O)cc1 ZINC000000269336 25/53/15/168255315 NJVJSULZTHOJGT-UHFFFAOYSA-N 0 181.191 AD 1.192 2 Anodyne low ADAALN COc1ccc([NH2+]CC(=O)[O-])cc1 COc1ccc(NCC(=O)O)cc1 ZINC000000269336 25/53/13/168255313 NJVJSULZTHOJGT-UHFFFAOYSA-N -1 181.191 AD 1.192 0 Anodyne ref ADAARM COc1ccc(NCC(=O)[O-])cc1 CCCn1cc(C(=O)O)c(C)n1 ZINC000000269615 11/85/89/167118589 VXCAGHJDPUBMKC-UHFFFAOYSA-N -1 168.196 AD 1.3 0 Anodyne ref ADAARM CCCn1cc(C(=O)[O-])c(C)n1 Nc1cccc(C2OCCCO2)c1 ZINC000000269737 29/64/13/169296413 LOIMKZYNBRCYDN-UHFFFAOYSA-N 0 179.219 AD 1.704 0 Anodyne ref ADAARN Nc1cccc(C2OCCCO2)c1 Cn1cc(CC(=O)O)c2ccccc21 ZINC000000269790 03/86/33/169038633 NAIPEFIYIQFVFC-UHFFFAOYSA-N -1 189.214 AD 1.805 0 Anodyne ref ADAARM Cn1cc(CC(=O)[O-])c2ccccc21 in-vitro O=C1CCCN1c1ccc(O)cc1 ZINC000000282290 37/14/66/169371466 KZDDUQHZILCAFQ-UHFFFAOYSA-N 0 177.203 AD 1.519 0 Anodyne ref ADAARN O=C1CCCN1c1ccc(O)cc1 COC(=O)C[C@H](N)c1ccccc1 ZINC000000286958 09/60/15/168096015 XKIOBYHZFPTKCZ-VIFPVBQESA-N 0 179.219 AD 1.249 3 Anodyne high ADAAHN COC(=O)C[C@H](N)c1ccccc1 COC(=O)C[C@H](N)c1ccccc1 ZINC000000286958 09/60/12/168096012 XKIOBYHZFPTKCZ-VIFPVBQESA-N 1 179.219 AD 1.249 0 Anodyne ref ADAARO COC(=O)C[C@H]([NH3+])c1ccccc1 COC(=O)C[C@@H](N)c1ccccc1 ZINC000000286961 09/57/46/168095746 XKIOBYHZFPTKCZ-SECBINFHSA-N 0 179.219 AD 1.249 3 Anodyne high ADAAHN COC(=O)C[C@@H](N)c1ccccc1 in-vitro COC(=O)C[C@@H](N)c1ccccc1 ZINC000000286961 09/57/42/168095742 XKIOBYHZFPTKCZ-SECBINFHSA-N 1 179.219 AD 1.249 0 Anodyne ref ADAARO COC(=O)C[C@@H]([NH3+])c1ccccc1 in-vitro COc1ccc([N+](=O)[O-])cc1O ZINC000000295034 26/07/42/168260742 KXKCTSZYNCDFFG-UHFFFAOYSA-N -1 169.136 AD 1.309 3 Bother high ADBAHM COc1ccc([N+](=O)[O-])cc1[O-] in-vitro