Cc1ccc(-c2nnc(N)s2)cc1 ZINC000000039838 92/44/32/342924432 ZLDPCNCAFSBFCX-UHFFFAOYSA-N 0 191.259 AE 2.096 0 Anodyne ref AEAARN Cc1ccc(-c2nnc(N)s2)cc1 Clc1ccc2nccnc2c1 ZINC000000046555 02/40/56/169024056 HOOMNCITVCXDTR-UHFFFAOYSA-N 0 164.595 AE 2.283 0 Anodyne ref AEAARN Clc1ccc2nccnc2c1 COc1ccc(-c2cc(O)on2)cc1 ZINC000000056344 24/30/68/168243068 SPEUJBIXBXBICC-UHFFFAOYSA-N -1 191.186 AE 2.056 1 Anodyne mid AEAAMM COc1ccc(-c2cc(=O)o[n-]2)cc1 COc1ccc(-c2cc(O)on2)cc1 ZINC000000056344 24/30/64/168243064 SPEUJBIXBXBICC-UHFFFAOYSA-N 0 191.186 AE 2.056 0 Anodyne ref AEAARN COc1ccc(-c2cc(=O)o[nH]2)cc1 Cc1nc2ccccc2nc1C ZINC000000061492 92/55/17/342925517 FKHNZQFCDGOQGV-UHFFFAOYSA-N 0 158.204 AE 2.247 0 Anodyne ref AEAARN Cc1nc2ccccc2nc1C in-vitro Cc1ccc(CSC(=N)N)cc1 ZINC000000096836 92/63/53/342926353 PWJIOPUMPZSBEI-UHFFFAOYSA-N 1 180.276 AE 2.122 0 Anodyne ref AEAARO Cc1ccc(CSC(N)=[NH2+])cc1 in-vivo Cc1nc(-c2ccccc2)no1 ZINC000000107742 93/11/20/168931120 VRRLZUXQTZOCKJ-UHFFFAOYSA-N 0 160.176 AE 2.045 0 Anodyne ref AEAARN Cc1nc(-c2ccccc2)no1 Cc1cc(C)n(-c2ccc(N)cc2)n1 ZINC000000109965 74/69/99/168746999 BKLODFMZXGBJAE-UHFFFAOYSA-N 0 187.246 AE 2.071 0 Clean ref AECARN Cc1cc(C)n(-c2ccc(N)cc2)n1 CC(C)NCc1ccc(N(C)C)cc1 ZINC000000152549 92/81/19/342928119 NZXPKDJRJFKEIC-UHFFFAOYSA-N 1 192.306 AE 2.251 0 Clean ref AECARO CC(C)[NH2+]Cc1ccc(N(C)C)cc1 O=C(O)c1cncc(-c2ccccc2)c1 ZINC000000159004 36/04/35/169360435 VKFXHYRIHRTEIV-UHFFFAOYSA-N -1 199.209 AE 2.447 0 Anodyne ref AEAARM O=C([O-])c1cncc(-c2ccccc2)c1 in-vitro Brc1cnc2ccccn12 ZINC000000159031 00/98/96/166009896 APYSHMNJHJRIDR-UHFFFAOYSA-N 0 197.035 AE 2.097 0 Anodyne ref AEAARN Brc1cnc2ccccn12 Cc1cccc(-c2nnc(N)s2)c1 ZINC000000184274 93/11/36/342931136 LPOIZXBPFTXVAO-UHFFFAOYSA-N 0 191.259 AE 2.096 0 Anodyne ref AEAARN Cc1cccc(-c2nnc(N)s2)c1 O=C(O)C#Cc1cccc2ccccc12 ZINC000000229765 20/68/45/171206845 AAFMEUUZRXLGAY-UHFFFAOYSA-N -1 196.205 AE 2.276 0 Mild ref AEEARM O=C([O-])C#Cc1cccc2ccccc12 c1ccc(-c2cnccn2)cc1 ZINC000000331976 27/54/72/351275472 LNJZJDLDXQQJSG-UHFFFAOYSA-N 0 156.188 AE 2.144 0 Anodyne ref AEAARN c1ccc(-c2cnccn2)cc1 O=C(O)c1cc(-c2ccccc2)on1 ZINC000000873418 35/54/70/169355470 XJYOBHXWBRKOQO-UHFFFAOYSA-N -1 189.17 AE 2.04 0 Anodyne ref AEAARM O=C([O-])c1cc(-c2ccccc2)on1 N=C(N)Cc1cccc2ccccc12 ZINC000001442783 13/80/01/169138001 ISAQFJCVYKEERB-UHFFFAOYSA-N 1 184.242 AE 2.318 0 Anodyne ref AEAARO NC(=[NH2+])Cc1cccc2ccccc12 c1ccc([C@H]2CCCN2)cc1 ZINC000001444851 28/55/22/351285522 JUTDHSGANMHVIC-SNVBAGLBSA-N 1 147.221 AE 2.111 0 Anodyne ref AEAARO c1ccc([C@H]2CCC[NH2+]2)cc1 in-vitro c1ccc([C@@H]2CCCN2)cc1 ZINC000001444852 94/53/69/342945369 JUTDHSGANMHVIC-JTQLQIEISA-N 1 147.221 AE 2.111 0 Anodyne ref AEAARO c1ccc([C@@H]2CCC[NH2+]2)cc1 c1ccc(C2=NCCC2)cc1 ZINC000001444858 94/52/64/342945264 PQZAWZGYOZRUFT-UHFFFAOYSA-N 0 145.205 AE 2.269 3 Anodyne high AEAAHN c1ccc(C2=NCCC2)cc1 c1ccc(C2=NCCC2)cc1 ZINC000001444858 94/52/63/342945263 PQZAWZGYOZRUFT-UHFFFAOYSA-N 1 145.205 AE 2.269 0 Anodyne ref AEAARO c1ccc(C2=[NH+]CCC2)cc1 S=C=NCc1ccccc1 ZINC000001529592 74/36/69/290743669 MDKCFLQDBWCQCV-UHFFFAOYSA-N 0 149.218 AE 2.289 0 Reactive ref AEGARN S=C=NCc1ccccc1 world endogenous CCCCC1(O)CCCC1 ZINC000001561953 94/74/70/342947470 GQTUSXZITATQAM-UHFFFAOYSA-N 0 142.242 AE 2.482 0 Anodyne ref AEAARN CCCCC1(O)CCCC1 CCCCNCc1ccco1 ZINC000001632729 95/34/95/342953495 FTACOWCYJXGWAM-UHFFFAOYSA-N 0 153.225 AE 2.169 3 Anodyne high AEAAHN CCCCNCc1ccco1 CCCCNCc1ccco1 ZINC000001632729 95/34/93/342953493 FTACOWCYJXGWAM-UHFFFAOYSA-N 0 153.225 AE 2.169 0 Anodyne ref AEAARN CCCC[NH2+]Cc1ccco1 CC(C)CNCCc1ccccc1 ZINC000001672751 29/34/02/351293402 MYJFFRMEBNWEQO-UHFFFAOYSA-N 1 177.291 AE 2.475 0 Anodyne ref AEAARO CC(C)C[NH2+]CCc1ccccc1 CCOC(=O)CC(=O)C1CCCCC1 ZINC000001680558 32/84/18/167328418 ASYASKBLHYSMEG-UHFFFAOYSA-N 0 198.262 AE 2.089 1 Anodyne mid AEAAMN CCOC(=O)C=C(O)C1CCCCC1 CCOC(=O)CC(=O)C1CCCCC1 ZINC000001680558 32/84/14/167328414 ASYASKBLHYSMEG-UHFFFAOYSA-N 0 198.262 AE 2.089 0 Anodyne ref AEAARN CCOC(=O)CC(=O)C1CCCCC1 C[C@H]1Nc2ccccc2N[C@@H]1C ZINC000001704430 96/06/32/342960632 JKMHQZSBOQTMRG-HTQZYQBOSA-N 0 162.236 AE 2.301 0 Clean ref AECARN C[C@H]1Nc2ccccc2N[C@@H]1C C[C@@H]1Nc2ccccc2N[C@H]1C ZINC000001704431 29/59/79/351295979 JKMHQZSBOQTMRG-YUMQZZPRSA-N 0 162.236 AE 2.301 0 Clean ref AECARN C[C@@H]1Nc2ccccc2N[C@H]1C CC[C@H](C(=O)O)c1ccc(OC)cc1 ZINC000002011467 59/15/92/167591592 SHXBXUJGKPPUOS-JTQLQIEISA-N -1 194.23 AE 2.273 0 Anodyne ref AEAARM CC[C@H](C(=O)[O-])c1ccc(OC)cc1 Cc1ccc(C=O)cc1C ZINC000002146875 96/99/25/342969925 POQJHLBMLVTHAU-UHFFFAOYSA-N 0 134.178 AE 2.116 0 Anodyne ref AEAARN Cc1ccc(C=O)cc1C COc1ccc(-c2cnco2)cc1 ZINC000002159732 24/34/28/168243428 WWTDBJIWQKDBSY-UHFFFAOYSA-N 0 175.187 AE 2.35 0 Anodyne ref AEAARN COc1ccc(-c2cnco2)cc1 c1csc([C@H]2CCCN2)c1 ZINC000002169308 48/62/62/169486262 BNUVOMNEUJWHCF-SSDOTTSWSA-N 1 153.25 AE 2.173 0 Anodyne ref AEAARO c1csc([C@H]2CCC[NH2+]2)c1 in-vitro c1csc([C@@H]2CCCN2)c1 ZINC000002169310 30/42/18/351304218 BNUVOMNEUJWHCF-ZETCQYMHSA-N 1 153.25 AE 2.173 0 Anodyne ref AEAARO c1csc([C@@H]2CCC[NH2+]2)c1 in-vitro COc1ccc([C@@H]2CCCN2)cc1 ZINC000002382423 25/84/79/168258479 HCBLZPKEGFYHDN-NSHDSACASA-N 1 177.247 AE 2.12 0 Anodyne ref AEAARO COc1ccc([C@@H]2CCC[NH2+]2)cc1 O=C(O)c1cc2ccc(F)cc2[nH]1 ZINC000002386976 35/69/77/169356977 LRTIKMXIKAOCDM-UHFFFAOYSA-N -1 179.15 AE 2.005 0 Anodyne ref AEAARM O=C([O-])c1cc2ccc(F)cc2[nH]1 COc1cccc(-c2ccn[nH]2)c1 ZINC000002388330 26/61/31/168266131 JAZQIOZMPNVSII-UHFFFAOYSA-N 0 174.203 AE 2.085 0 Anodyne ref AEAARN COc1cccc(-c2cc[nH]n2)c1 CCCCn1c(N)nc2ccccc21 ZINC000002475956 97/26/57/342972657 BPFMGSARUNSBFM-UHFFFAOYSA-N 0 189.262 AE 2.419 1 Anodyne mid AEAAMN CCCCn1c(N)nc2ccccc21 aggregator CCCCn1c(N)nc2ccccc21 ZINC000002475956 97/26/51/342972651 BPFMGSARUNSBFM-UHFFFAOYSA-N 1 189.262 AE 2.419 0 Anodyne ref AEAARO CCCCn1c(N)[nH+]c2ccccc21 aggregator CCCCn1c(=O)[nH]c2ccccc21 ZINC000002484789 97/27/12/342972712 IDAMRRQTIRIFIA-UHFFFAOYSA-N 0 190.246 AE 2.13 0 Anodyne ref AEAARN CCCCn1c(=O)[nH]c2ccccc21 CCCNCCc1ccccc1 ZINC000002510416 98/91/30/166989130 IIIRPZWDICEMGU-UHFFFAOYSA-N 1 163.264 AE 2.229 0 Anodyne ref AEAARO CCC[NH2+]CCc1ccccc1 CCOC(=O)CC(=O)CC1CCCC1 ZINC000002518220 32/69/60/167326960 NSNBPUDFVSNTOM-UHFFFAOYSA-N 0 198.262 AE 2.089 1 Anodyne mid AEAAMN CCOC(=O)C=C(O)CC1CCCC1 CCOC(=O)CC(=O)CC1CCCC1 ZINC000002518220 32/69/55/167326955 NSNBPUDFVSNTOM-UHFFFAOYSA-N 0 198.262 AE 2.089 0 Anodyne ref AEAARN CCOC(=O)CC(=O)CC1CCCC1 C=CCNCc1ccccc1F ZINC000002522941 19/12/67/166191267 RGDCZMFWIHVJIT-UHFFFAOYSA-N 0 165.211 AE 2.101 1 Mild mid AEEAMN C=CCNCc1ccccc1F C=CCNCc1ccccc1F ZINC000002522941 19/12/65/166191265 RGDCZMFWIHVJIT-UHFFFAOYSA-N 1 165.211 AE 2.101 0 Mild ref AEEARO C=CC[NH2+]Cc1ccccc1F C=CCNCc1sccc1C ZINC000002526623 18/95/07/166189507 PKJPHPJXQXRBTL-UHFFFAOYSA-N 0 167.277 AE 2.332 3 Mild high AEEAHN C=CCNCc1sccc1C C=CCNCc1sccc1C ZINC000002526623 18/95/04/166189504 PKJPHPJXQXRBTL-UHFFFAOYSA-N 1 167.277 AE 2.332 0 Mild ref AEEARO C=CC[NH2+]Cc1sccc1C CN(C)c1ccc([C@H]2CCCN2)cc1 ZINC000002534011 97/50/00/342975000 DWLOCNSUEBLJCR-GFCCVEGCSA-N 1 190.29 AE 2.177 0 Clean ref AECARO CN(C)c1ccc([C@H]2CCC[NH2+]2)cc1 CC[C@@H](C)NCc1ccco1 ZINC000002554096 31/15/22/351311522 ARIPWNULFVPJQJ-MRVPVSSYSA-N 0 153.225 AE 2.168 3 Anodyne high AEAAHN CC[C@@H](C)NCc1ccco1 CC[C@@H](C)NCc1ccco1 ZINC000002554096 31/15/19/351311519 ARIPWNULFVPJQJ-MRVPVSSYSA-N 1 153.225 AE 2.168 0 Anodyne ref AEAARO CC[C@@H](C)[NH2+]Cc1ccco1 CC(C)NCc1ccc(F)cc1 ZINC000002568487 97/75/95/342977595 IDZSJVHMHRLKIU-UHFFFAOYSA-N 1 167.227 AE 2.324 0 Anodyne ref AEAARO CC(C)[NH2+]Cc1ccc(F)cc1 O=C(c1ccccc1)c1cc[nH]c1 ZINC000002577864 36/35/92/169363592 DSNSKSWTLGZGAN-UHFFFAOYSA-N 0 171.199 AE 2.246 0 Anodyne ref AEAARN O=C(c1ccccc1)c1cc[nH]c1 CN(C)c1ccc([C@@H]2CCCN2)cc1 ZINC000002582566 97/88/74/342978874 DWLOCNSUEBLJCR-LBPRGKRZSA-N 1 190.29 AE 2.177 0 Clean ref AECARO CN(C)c1ccc([C@@H]2CCC[NH2+]2)cc1 COc1ccccc1[C@@H]1CCCN1 ZINC000002582570 27/72/60/168277260 DSRDQQWHCNKVAV-JTQLQIEISA-N 1 177.247 AE 2.12 0 Anodyne ref AEAARO COc1ccccc1[C@@H]1CCC[NH2+]1 c1cc([C@@H]2CCCCCN2)ccn1 ZINC000002582650 47/20/32/169472032 NBCTZCUNZUISCL-NSHDSACASA-N 1 176.263 AE 2.286 0 Anodyne ref AEAARO c1cc([C@@H]2CCCCC[NH2+]2)ccn1 Cc1cc(C)c2cc(C(=O)O)[nH]c2c1 ZINC000002582696 97/87/35/342978735 HRHYVQGVACIBPS-UHFFFAOYSA-N -1 189.214 AE 2.483 0 Anodyne ref AEAARM Cc1cc(C)c2cc(C(=O)[O-])[nH]c2c1 O=C(O)c1cc2c(F)cccc2[nH]1 ZINC000002582711 35/63/75/169356375 KBWWCYDFHITBFO-UHFFFAOYSA-N -1 179.15 AE 2.005 0 Anodyne ref AEAARM O=C([O-])c1cc2c(F)cccc2[nH]1 Cc1cccc2[nH]c(C(=O)O)cc12 ZINC000002582713 87/62/76/168876276 QMSCXKCJGFIXDF-UHFFFAOYSA-N -1 175.187 AE 2.175 0 Anodyne ref AEAARM Cc1cccc2[nH]c(C(=O)[O-])cc12 Cc1ccc2cc(C(=O)O)[nH]c2c1 ZINC000002582714 97/86/07/342978607 ZKGSVVHFMZASJS-UHFFFAOYSA-N -1 175.187 AE 2.175 0 Anodyne ref AEAARM Cc1ccc2cc(C(=O)[O-])[nH]c2c1 in-vitro CC(C)NCc1cccs1 ZINC000003078797 31/58/47/351315847 SUZIRJQKJYVJCT-UHFFFAOYSA-N 1 155.266 AE 2.246 0 Anodyne ref AEAARO CC(C)[NH2+]Cc1cccs1 O=[N+]([O-])c1ccc2oc(S)nc2c1 ZINC000003100671 31/56/09/351315609 FQOGSTGLRLMQOV-UHFFFAOYSA-N -1 196.187 AE 2.025 0 Bother ref AEBARM O=[N+]([O-])c1ccc2oc(=S)[n-]c2c1 C=C(C)[C@H]1CC=C(C)[C@H](N)C1 ZINC000003171734 12/83/72/166128372 QVNFAYCKTIZINB-VHSXEESVSA-N 1 151.253 AE 2.246 0 Mild ref AEEARO C=C(C)[C@H]1CC=C(C)[C@H]([NH3+])C1 C=C(C)[C@H]1CC=C(C)[C@@H](N)C1 ZINC000003171737 12/89/08/166128908 QVNFAYCKTIZINB-UWVGGRQHSA-N 1 151.253 AE 2.246 0 Mild ref AEEARO C=C(C)[C@H]1CC=C(C)[C@@H]([NH3+])C1 COc1ccc([C@H]2CCCN2)cc1 ZINC000003399065 25/99/55/168259955 HCBLZPKEGFYHDN-LLVKDONJSA-N 1 177.247 AE 2.12 0 Anodyne ref AEAARO COc1ccc([C@H]2CCC[NH2+]2)cc1 C=CCNCc1cccs1 ZINC000003440662 18/98/21/166189821 GMUZUSDRGMOZHQ-UHFFFAOYSA-N 0 153.25 AE 2.024 3 Mild high AEEAHN C=CCNCc1cccs1 C=CCNCc1cccs1 ZINC000003440662 18/98/20/166189820 GMUZUSDRGMOZHQ-UHFFFAOYSA-N 1 153.25 AE 2.024 0 Mild ref AEEARO C=CC[NH2+]Cc1cccs1 N=C(N)SCCCc1ccccc1 ZINC000003634176 13/93/79/169139379 CHXSUCBTWYXSOC-UHFFFAOYSA-N 1 194.303 AE 2.246 0 Anodyne ref AEAARO NC(=[NH2+])SCCCc1ccccc1 COc1ccccc1[C@H]1CCCN1 ZINC000003732216 27/88/72/168278872 DSRDQQWHCNKVAV-SNVBAGLBSA-N 1 177.247 AE 2.12 0 Anodyne ref AEAARO COc1ccccc1[C@H]1CCC[NH2+]1 c1cc([C@H]2CCCCCN2)ccn1 ZINC000003734847 31/96/62/351319662 NBCTZCUNZUISCL-LLVKDONJSA-N 1 176.263 AE 2.286 0 Anodyne ref AEAARO c1cc([C@H]2CCCCC[NH2+]2)ccn1 c1cncc([C@H]2CCCCCN2)c1 ZINC000003734848 31/93/36/351319336 BELIZRHOJQZKIU-LLVKDONJSA-N 1 176.263 AE 2.286 0 Anodyne ref AEAARO c1cncc([C@H]2CCCCC[NH2+]2)c1 c1cncc([C@@H]2CCCCCN2)c1 ZINC000003734849 31/91/82/351319182 BELIZRHOJQZKIU-NSHDSACASA-N 1 176.263 AE 2.286 0 Anodyne ref AEAARO c1cncc([C@@H]2CCCCC[NH2+]2)c1 CCc1ccc2cc(C(=O)O)[nH]c2c1 ZINC000003748674 98/45/35/342984535 LZMHTROSSYBVAE-UHFFFAOYSA-N -1 189.214 AE 2.428 0 Anodyne ref AEAARM CCc1ccc2cc(C(=O)[O-])[nH]c2c1 c1csc(-c2cc[nH]n2)c1 ZINC000003884497 28/77/98/375287798 TVNDPZYOQCCHTJ-UHFFFAOYSA-N 0 150.206 AE 2.138 0 Anodyne ref AEAARN c1csc(-c2cc[nH]n2)c1 Cc1cc2c(cc(C(=O)O)n2C)s1 ZINC000004103995 98/76/64/342987664 TUBIHPRLIKRUPP-UHFFFAOYSA-N -1 195.243 AE 2.246 0 Anodyne ref AEAARM Cc1cc2c(cc(C(=O)[O-])n2C)s1 Cc1cccc(CSC(=N)N)c1 ZINC000004205009 98/84/66/342988466 XMHABLGHQHBPRC-UHFFFAOYSA-N 1 180.276 AE 2.122 0 Anodyne ref AEAARO Cc1cccc(CSC(N)=[NH2+])c1 CCCNCc1ccc(C)cc1 ZINC000004205043 98/85/92/342988592 KEPDRVSVMRMGCR-UHFFFAOYSA-N 1 163.264 AE 2.495 0 Anodyne ref AEAARO CCC[NH2+]Cc1ccc(C)cc1 c1coc([C@@H]2CCCCCN2)c1 ZINC000004234889 32/58/06/351325806 KEXPGFWECJUYDV-VIFPVBQESA-N 0 165.236 AE 2.484 3 Anodyne high AEAAHN c1coc([C@@H]2CCCCCN2)c1 c1coc([C@@H]2CCCCCN2)c1 ZINC000004234889 32/58/04/351325804 KEXPGFWECJUYDV-VIFPVBQESA-N 1 165.236 AE 2.484 0 Anodyne ref AEAARO c1coc([C@@H]2CCCCC[NH2+]2)c1 c1coc([C@H]2CCCCCN2)c1 ZINC000004234890 32/56/37/351325637 KEXPGFWECJUYDV-SECBINFHSA-N 0 165.236 AE 2.484 3 Anodyne high AEAAHN c1coc([C@H]2CCCCCN2)c1 c1coc([C@H]2CCCCCN2)c1 ZINC000004234890 32/56/34/351325634 KEXPGFWECJUYDV-SECBINFHSA-N 1 165.236 AE 2.484 0 Anodyne ref AEAARO c1coc([C@H]2CCCCC[NH2+]2)c1 Nc1[nH]ncc1-c1ccc(Cl)cc1 ZINC000004234983 01/19/19/171011919 CTDDRNREDMYWMI-UHFFFAOYSA-N 0 193.637 AE 2.312 0 Anodyne ref AEAARN Nc1n[nH]cc1-c1ccc(Cl)cc1 CC(C)(C)c1cn2cccnc2n1 ZINC000004235098 38/55/54/166385554 QCKNMBVCXLZFHY-UHFFFAOYSA-N 0 175.235 AE 2.027 0 Anodyne ref AEAARN CC(C)(C)c1cn2cccnc2n1 Cc1ccc(-c2cc[nH]n2)cc1 ZINC000004243617 98/92/46/342989246 VOMXXXBTALQTAK-UHFFFAOYSA-N 0 158.204 AE 2.385 0 Anodyne ref AEAARN Cc1ccc(-c2cc[nH]n2)cc1 O=C(O)c1cc(-c2cccs2)on1 ZINC000004289263 35/57/55/169355755 OBTRHBQUXRJHJR-UHFFFAOYSA-N -1 195.199 AE 2.101 0 Anodyne ref AEAARM O=C([O-])c1cc(-c2cccs2)on1 COc1ccc(CNC(C)C)cc1 ZINC000004298819 25/06/12/168250612 RVROZYOHWNUUNB-UHFFFAOYSA-N 1 179.263 AE 2.193 0 Anodyne ref AEAARO COc1ccc(C[NH2+]C(C)C)cc1 Cc1ccc(CNC(C)C)o1 ZINC000004298821 99/04/01/342990401 MLJWSCJPKNQKOG-UHFFFAOYSA-N 0 153.225 AE 2.086 3 Anodyne high AEAAHN Cc1ccc(CNC(C)C)o1 Cc1ccc(CNC(C)C)o1 ZINC000004298821 99/04/00/342990400 MLJWSCJPKNQKOG-UHFFFAOYSA-N 1 153.225 AE 2.086 0 Anodyne ref AEAARO Cc1ccc(C[NH2+]C(C)C)o1 Fc1ccc(-c2cc[nH]n2)cc1F ZINC000004348063 08/22/96/169082296 JCDZUGMQQWZARW-UHFFFAOYSA-N 0 180.157 AE 2.355 0 Anodyne ref AEAARN Fc1ccc(-c2cc[nH]n2)cc1F Fc1ccccc1-c1cc[nH]n1 ZINC000004348129 08/84/40/169088440 PZNGOFHHOGORBU-UHFFFAOYSA-N 0 162.167 AE 2.216 0 Anodyne ref AEAARN Fc1ccccc1-c1cc[nH]n1 Fc1cccc(-c2cc[nH]n2)c1 ZINC000004348130 08/65/49/169086549 WKIRCCSDGDQJJF-UHFFFAOYSA-N 0 162.167 AE 2.216 0 Anodyne ref AEAARN Fc1cccc(-c2cc[nH]n2)c1 in-vitro CC(C)[C@@H]1CC[C@@H](C)[C@@H](N)C1 ZINC000004536492 99/27/38/342992738 OBRPUNUGMSQVTE-BBBLOLIVSA-N 1 155.285 AE 2.406 0 Anodyne ref AEAARO CC(C)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 CC(C)[C@@H]1CC[C@H](C)[C@@H](N)C1 ZINC000004536494 99/27/69/342992769 OBRPUNUGMSQVTE-AEJSXWLSSA-N 1 155.285 AE 2.406 0 Anodyne ref AEAARO CC(C)[C@@H]1CC[C@H](C)[C@@H]([NH3+])C1 CCn1c(C(=O)O)cc2oc(C)cc21 ZINC000005135020 99/91/78/342999178 VPPKURVZOYRWIO-UHFFFAOYSA-N -1 193.202 AE 2.261 0 Anodyne ref AEAARM CCn1c(C(=O)[O-])cc2oc(C)cc21 CCCCNCc1ccc(C)o1 ZINC000005309270 00/10/08/343001008 PUFZNUWUSWSNDA-UHFFFAOYSA-N 0 167.252 AE 2.478 3 Anodyne high AEAAHN CCCCNCc1ccc(C)o1 CCCCNCc1ccc(C)o1 ZINC000005309270 00/10/07/343001007 PUFZNUWUSWSNDA-UHFFFAOYSA-N 1 167.252 AE 2.478 0 Anodyne ref AEAARO CCCC[NH2+]Cc1ccc(C)o1 Clc1ccc2[nH]cnc2c1 ZINC000005425423 02/36/97/169023697 NKLOLMQJDLMZRE-UHFFFAOYSA-N 0 152.584 AE 2.216 1 Anodyne mid AEAAMN Clc1ccc2nc[nH]c2c1 in-vitro Clc1ccc2[nH]cnc2c1 ZINC000005425423 02/36/95/169023695 NKLOLMQJDLMZRE-UHFFFAOYSA-N 0 152.584 AE 2.216 0 Anodyne ref AEAARN Clc1ccc2[nH]cnc2c1 in-vitro C#CCON=C1CCCCCC1 ZINC000005638365 19/77/93/171197793 QMPYLUQGBZYMAN-UHFFFAOYSA-N 0 165.236 AE 2.346 0 Mild ref AEEARN C#CCON=C1CCCCCC1 COc1ccccc1CNCC(C)C ZINC000005817300 01/80/96/171018096 ISFFDNRXIWXMSM-UHFFFAOYSA-N 1 193.29 AE 2.441 0 Anodyne ref AEAARO COc1ccccc1C[NH2+]CC(C)C CC(C)CNCc1cccs1 ZINC000005817305 47/09/24/166470924 YRXXZEKTOKFSKA-UHFFFAOYSA-N 1 169.293 AE 2.494 0 Anodyne ref AEAARO CC(C)C[NH2+]Cc1cccs1