C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000000315 11/60/64/361116064 DPSPPJIUMHPXMA-ZETCQYMHSA-N 0 261.252 CE 2.346 2 Anodyne low CEAALN C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23 world C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000000315 11/60/50/361116050 DPSPPJIUMHPXMA-ZETCQYMHSA-N -1 261.252 CE 2.346 0 Anodyne ref CEAARM C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)[O-])cn1c23 world O=C(Oc1ccccc1C(=O)O)c1ccccc1O ZINC000000002062 11/65/26/361116526 WVYADZUPLLSGPU-UHFFFAOYSA-N -1 258.229 CE 2.31 0 Anodyne ref CEAARM O=C(Oc1ccccc1C(=O)[O-])c1ccccc1O world Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 ZINC000000032137 11/90/96/361119096 AIOFIJOAQUYOST-XNTDXEJSSA-N -1 290.344 CE 2.013 3 Mild high CEEAHM Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2[O-])cc1 Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 ZINC000000032137 11/90/91/361119091 AIOFIJOAQUYOST-XNTDXEJSSA-N 0 290.344 CE 2.013 0 Mild ref CEEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 CCOC(=O)c1c(N)sc(C(=O)N(CC)CC)c1C ZINC000000032145 11/87/58/361118758 CQFLXLZREFAIKV-UHFFFAOYSA-N 0 284.381 CE 2.297 0 Anodyne ref CEAARN CCOC(=O)c1c(N)sc(C(=O)N(CC)CC)c1C COC(=O)c1ccn(COc2ccccc2Cl)n1 ZINC000000032360 51/01/87/169510187 WUPSGPVLANYZDM-UHFFFAOYSA-N 0 266.684 CE 2.36 0 Anodyne ref CEAARN COC(=O)c1ccn(COc2ccccc2Cl)n1 COC(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000000032361 51/02/86/169510286 LXUCWTMABKRBPE-UHFFFAOYSA-N 0 266.684 CE 2.36 0 Anodyne ref CEAARN COC(=O)c1ccn(COc2ccc(Cl)cc2)n1 COC(=O)c1ccn(COc2cccc(Cl)c2)n1 ZINC000000032364 11/86/78/361118678 JTAMWLZBIFRLNC-UHFFFAOYSA-N 0 266.684 CE 2.36 0 Anodyne ref CEAARN COC(=O)c1ccn(COc2cccc(Cl)c2)n1 O=C(O)c1ccn(COc2ccccc2Cl)n1 ZINC000000032371 11/88/94/361118894 SIBGVAKNBXLWQM-UHFFFAOYSA-N -1 252.657 CE 2.271 0 Anodyne ref CEAARM O=C([O-])c1ccn(COc2ccccc2Cl)n1 COC(=O)c1sc2cc([N+](=O)[O-])ccc2c1N ZINC000000032573 45/63/78/277456378 AVWYTSRBVOQDRA-UHFFFAOYSA-N 0 252.251 CE 2.178 0 Bother ref CEBARN COC(=O)c1sc2cc([N+](=O)[O-])ccc2c1N O=C(O)c1cc(CN2CCOCC2)oc1-c1ccccc1 ZINC000000033623 11/91/42/361119142 TZCXERGABXFMRV-UHFFFAOYSA-N 0 287.315 CE 2.477 2 Anodyne low CEAALN O=C([O-])c1cc(C[NH+]2CCOCC2)oc1-c1ccccc1 O=C(O)c1cc(CN2CCOCC2)oc1-c1ccccc1 ZINC000000033623 11/91/37/361119137 TZCXERGABXFMRV-UHFFFAOYSA-N -1 287.315 CE 2.477 0 Anodyne ref CEAARM O=C([O-])c1cc(CN2CCOCC2)oc1-c1ccccc1 Cc1oc(C(C)(C)C)c(CN2CCOCC2)c1C(=O)O ZINC000000033624 11/88/83/361118883 MUHKFQBTMMESMA-UHFFFAOYSA-N 0 281.352 CE 2.416 2 Anodyne low CEAALN Cc1oc(C(C)(C)C)c(C[NH+]2CCOCC2)c1C(=O)[O-] Cc1oc(C(C)(C)C)c(CN2CCOCC2)c1C(=O)O ZINC000000033624 11/88/79/361118879 MUHKFQBTMMESMA-UHFFFAOYSA-N -1 281.352 CE 2.416 0 Anodyne ref CEAARM Cc1oc(C(C)(C)C)c(CN2CCOCC2)c1C(=O)[O-] CC(C)(C)c1cc(C(=O)O)c(CN2CCOCC2)o1 ZINC000000035033 11/88/09/361118809 UVKNRTGVGOFJAN-UHFFFAOYSA-N 0 267.325 CE 2.107 2 Anodyne low CEAALN CC(C)(C)c1cc(C(=O)[O-])c(C[NH+]2CCOCC2)o1 CC(C)(C)c1cc(C(=O)O)c(CN2CCOCC2)o1 ZINC000000035033 11/88/04/361118804 UVKNRTGVGOFJAN-UHFFFAOYSA-N -1 267.325 CE 2.107 0 Anodyne ref CEAARM CC(C)(C)c1cc(C(=O)[O-])c(CN2CCOCC2)o1 O[C@H](c1nc2ccccc2[nH]1)[C@H](O)c1nc2ccccc2[nH]1 ZINC000000035511 11/91/92/361119192 ALWIRKFXMNFYBB-KBPBESRZSA-N 0 294.314 CE 2.206 0 Anodyne ref CEAARN O[C@H](c1nc2ccccc2[nH]1)[C@H](O)c1nc2ccccc2[nH]1 O[C@@H](c1nc2ccccc2[nH]1)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000000035512 11/91/60/361119160 ALWIRKFXMNFYBB-ZIAGYGMSSA-N 0 294.314 CE 2.206 0 Anodyne ref CEAARN O[C@@H](c1nc2ccccc2[nH]1)[C@@H](O)c1nc2ccccc2[nH]1 COc1ccc(C=O)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000000035780 11/85/67/361118567 LGQORZMQGBSBIF-UHFFFAOYSA-N 0 289.291 CE 2.278 0 Bother ref CEBARN COc1ccc(C=O)cc1Cn1nc(C)c([N+](=O)[O-])c1C C[C@H](NC(=O)CSc1nnc(N)s1)c1ccccc1 ZINC000000036088 51/21/27/169512127 GVRSEYMLXNPJIN-QMMMGPOBSA-N 0 294.405 CE 2.09 0 Anodyne ref CEAARN C[C@H](NC(=O)CSc1nnc(N)s1)c1ccccc1 C[C@@H](NC(=O)CSc1nnc(N)s1)c1ccccc1 ZINC000000036089 11/91/67/361119167 GVRSEYMLXNPJIN-MRVPVSSYSA-N 0 294.405 CE 2.09 0 Anodyne ref CEAARN C[C@@H](NC(=O)CSc1nnc(N)s1)c1ccccc1 Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000000036146 11/92/11/361119211 HIYMQRSHGHCZSG-UHFFFAOYSA-N 0 251.336 CE 2.095 0 Anodyne ref CEAARN Nc1nnc(SCC(=O)c2ccccc2)s1 COc1ccc(C=O)cc1Cn1nnc2ccccc21 ZINC000000037198 11/91/56/361119156 MAHUNCFPSRMTEC-UHFFFAOYSA-N 0 267.288 CE 2.301 0 Anodyne ref CEAARN COc1ccc(C=O)cc1Cn1nnc2ccccc21 Cc1ccc(OCC(=O)O)c(-n2nc3ccccc3n2)c1 ZINC000000038345 51/33/05/169513305 GXUSNSHJHHHTQR-UHFFFAOYSA-N -1 283.287 CE 2.192 0 Anodyne ref CEAARM Cc1ccc(OCC(=O)[O-])c(-n2nc3ccccc3n2)c1 O=C(OCc1ccccc1Cl)ON1C(=O)CCC1=O ZINC000000039225 12/02/09/361120209 LVZHXYXNMHCBKC-UHFFFAOYSA-N 0 283.667 CE 2.057 0 Mild ref CEEARN O=C(OCc1ccccc1Cl)ON1C(=O)CCC1=O O=C(O)/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000039361 11/99/54/361119954 XHTHMZFBLNIKJC-SNAWJCMRSA-N -1 259.183 CE 2.285 0 Anodyne ref CEAARM O=C([O-])/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 O=C(O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 ZINC000000039414 12/04/65/361120465 FRAHNBWWMSAPGA-UHFFFAOYSA-N -1 263.15 CE 2.303 0 Anodyne ref CEAARM O=C([O-])c1cc2nc(C(F)F)cc(C(F)F)n2n1 COc1cc(Br)c([N+](=O)[O-])cc1OC ZINC000000039672 36/72/17/277367217 DGUDEQARXVYDBS-UHFFFAOYSA-N 0 262.059 CE 2.375 0 Bother ref CEBARN COc1cc(Br)c([N+](=O)[O-])cc1OC CCCc1nnc(NC(=O)c2ccccc2O)s1 ZINC000000040674 11/99/37/361119937 ITZCPTNCIOREOJ-UHFFFAOYSA-N -1 263.322 CE 2.449 1 Anodyne mid CEAAMM CCCc1nnc(NC(=O)c2ccccc2[O-])s1 CCCc1nnc(NC(=O)c2ccccc2O)s1 ZINC000000040674 11/99/34/361119934 ITZCPTNCIOREOJ-UHFFFAOYSA-N 0 263.322 CE 2.449 0 Anodyne ref CEAARN CCCc1nnc(NC(=O)c2ccccc2O)s1 Cc1[nH]nc(O)c1[C@H](c1ccccc1F)C(C#N)C#N ZINC000000041202 12/04/26/361120426 GWKBIGIUOBMMJR-ZDUSSCGKSA-N 0 270.267 CE 2.358 0 Mild ref CEEARN Cc1[nH][nH]c(=O)c1[C@H](c1ccccc1F)C(C#N)C#N O=C1c2ccccc2C(=O)N1CC1=NCCc2ccccc21 ZINC000000044190 12/11/04/361121104 VORHKXJENRYGEN-UHFFFAOYSA-N 0 290.322 CE 2.328 0 Anodyne ref CEAARN O=C1c2ccccc2C(=O)N1CC1=NCCc2ccccc21 Cc1ccc([C@]2(c3ccccc3)NC(=O)NC2=O)cc1 ZINC000000047506 12/17/15/361121715 WPAPSGQWYNPWCZ-INIZCTEOSA-N -1 266.3 CE 2.078 3 Anodyne high CEAAHM Cc1ccc([C@]2(c3ccccc3)NC(=O)[N-]C2=O)cc1 in-vitro Cc1ccc([C@]2(c3ccccc3)NC(=O)NC2=O)cc1 ZINC000000047506 12/17/08/361121708 WPAPSGQWYNPWCZ-INIZCTEOSA-N 0 266.3 CE 2.078 0 Anodyne ref CEAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)NC2=O)cc1 in-vitro Cc1ccc([C@@]2(c3ccccc3)NC(=O)NC2=O)cc1 ZINC000000047507 12/10/78/361121078 WPAPSGQWYNPWCZ-MRXNPFEDSA-N -1 266.3 CE 2.078 3 Anodyne high CEAAHM Cc1ccc([C@@]2(c3ccccc3)NC(=O)[N-]C2=O)cc1 in-vitro Cc1ccc([C@@]2(c3ccccc3)NC(=O)NC2=O)cc1 ZINC000000047507 12/10/75/361121075 WPAPSGQWYNPWCZ-MRXNPFEDSA-N 0 266.3 CE 2.078 0 Anodyne ref CEAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)NC2=O)cc1 in-vitro O=C(O)COc1ccc2c(c1)oc(=O)c1ccccc12 ZINC000000047689 51/68/22/169516822 ZLWOHWRZIZVLTP-UHFFFAOYSA-N -1 270.24 CE 2.41 0 Bother ref CEBARM O=C([O-])COc1ccc2c(c1)oc(=O)c1ccccc12 CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccs1 ZINC000000048723 61/02/22/263610222 NYBMJRNRDGDXAX-LBPRGKRZSA-N 0 290.344 CE 2.393 0 Reactive ref CEGARN CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccs1 C[C@H]1CC2=C(C(=O)O1)[C@@H](c1cccs1)C(C#N)=C(N)O2 ZINC000000048739 61/06/78/263610678 QIGADDJGKRISIF-WRWORJQWSA-N 0 288.328 CE 2.145 0 Reactive ref CEGARN C[C@H]1CC2=C(C(=O)O1)[C@@H](c1cccs1)C(C#N)=C(N)O2 C[C@@H]1CC2=C(C(=O)O1)[C@H](c1cccs1)C(C#N)=C(N)O2 ZINC000000048742 61/05/51/263610551 QIGADDJGKRISIF-HQJQHLMTSA-N 0 288.328 CE 2.145 0 Reactive ref CEGARN C[C@@H]1CC2=C(C(=O)O1)[C@H](c1cccs1)C(C#N)=C(N)O2 CCOC(=O)C1=C(C)NC(=O)N[C@@H]1/C=C/c1ccccc1 ZINC000000048954 12/14/24/361121424 MFTFMXXRCSLQAZ-WTNCMQEWSA-N 0 286.331 CE 2.218 0 Anodyne ref CEAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1/C=C/c1ccccc1 aggregator O=C(O)CCS(=O)(=O)c1ccc2ccccc2c1 ZINC000000050909 51/79/92/169517992 OSYQPWIOAFNQLP-UHFFFAOYSA-N -1 264.302 CE 2.088 0 Anodyne ref CEAARM O=C([O-])CCS(=O)(=O)c1ccc2ccccc2c1 CC1(C)OC(=O)N2CCN3C(=O)OC(C)(C)[C@]3(C)C=C21 ZINC000000052075 39/96/60/281399660 HBCOCXXVGIEYLX-AWEZNQCLSA-N 0 280.324 CE 2.104 0 Anodyne ref CEAARN CC1(C)OC(=O)N2CCN3C(=O)OC(C)(C)[C@]3(C)C=C21 CC1(C)OC(=O)N2CCN3C(=O)OC(C)(C)[C@@]3(C)C=C21 ZINC000000052076 39/96/46/281399646 HBCOCXXVGIEYLX-CQSZACIVSA-N 0 280.324 CE 2.104 0 Anodyne ref CEAARN CC1(C)OC(=O)N2CCN3C(=O)OC(C)(C)[C@@]3(C)C=C21 O=C(O)CCCC(=O)Nc1nc2ccccc2s1 ZINC000000053728 12/25/60/361122560 VWJNBVIMTRPISG-UHFFFAOYSA-N -1 264.306 CE 2.49 0 Anodyne ref CEAARM O=C([O-])CCCC(=O)Nc1nc2ccccc2s1 O=C(O)c1ccccc1SCC(=O)N1CCCCC1 ZINC000000054572 51/96/46/169519646 CNQMXDHBVWJPBP-UHFFFAOYSA-N -1 279.361 CE 2.489 0 Anodyne ref CEAARM O=C([O-])c1ccccc1SCC(=O)N1CCCCC1 Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2 ZINC000000056582 95/17/14/300951714 GLEVLJDDWXEYCO-AWEZNQCLSA-N -1 250.294 CE 2.486 0 Anodyne ref CEAARM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)[O-])O2 in-man endogenous Nc1c(Br)cc(Br)cc1C(=O)O ZINC000000056723 12/25/47/361122547 WNABMWFLKQEGCP-UHFFFAOYSA-N -1 294.93 CE 2.492 0 Anodyne ref CEAARM Nc1c(Br)cc(Br)cc1C(=O)[O-] in-vitro O=C(O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000000057932 22/04/73/304220473 QSBZDBNPXSVVHH-UHFFFAOYSA-N -1 269.05 CE 2.254 0 Anodyne ref CEAARM O=C([O-])c1cc(=O)c2cc(Br)ccc2o1 O=C(O)/C=C/C(=O)c1ccc(Br)cc1 ZINC000000058209 52/10/55/169521055 CJNVLFPUEBQQMZ-AATRIKPKSA-N -1 255.067 CE 2.273 0 Mild ref CEEARM O=C([O-])/C=C/C(=O)c1ccc(Br)cc1 O=C(O)CCC(=O)c1ccc(Br)cc1 ZINC000000058212 12/25/96/361122596 ZODFRCZNTXLDDW-UHFFFAOYSA-N -1 257.083 CE 2.497 0 Anodyne ref CEAARM O=C([O-])CCC(=O)c1ccc(Br)cc1 O=c1ccc(-c2ccc(Br)cc2)n[nH]1 ZINC000000058220 39/46/55/280394655 SXDHLGDAZQDUBI-UHFFFAOYSA-N 0 251.083 CE 2.199 0 Anodyne ref CEAARN O=c1ccc(-c2ccc(Br)cc2)n[nH]1 COc1cc(-c2nc3ccccn3c2N)ccc1O ZINC000000058459 12/28/50/361122850 KLGHXLHELHJKEL-UHFFFAOYSA-N 1 255.277 CE 2.298 1 Anodyne mid CEAAMO COc1cc(-c2[nH+]c3ccccn3c2N)ccc1O COc1cc(-c2nc3ccccn3c2N)ccc1O ZINC000000058459 12/28/41/361122841 KLGHXLHELHJKEL-UHFFFAOYSA-N 0 255.277 CE 2.298 0 Anodyne ref CEAARN COc1cc(-c2nc3ccccn3c2N)ccc1O O=C(O)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000000061491 26/97/13/304269713 RSKJDIQHYKWJLS-UHFFFAOYSA-N -1 267.24 CE 2.185 0 Anodyne ref CEAARM O=C([O-])c1ccccc1N1C(=O)c2ccccc2C1=O CCOC(=O)c1c(NC(=O)CC#N)sc(C)c1C ZINC000000064988 44/77/67/394447767 LYRZSPUDELNYMY-UHFFFAOYSA-N 0 266.322 CE 2.394 0 Mild ref CEEARN CCOC(=O)c1c(NC(=O)CC#N)sc(C)c1C Cc1oc2c(c1C(=O)O)C(=O)c1ccccc1C2=O ZINC000000065262 44/79/25/394447925 DGUNRTJCCAANGI-UHFFFAOYSA-N -1 256.213 CE 2.062 0 Clean ref CECARM Cc1oc2c(c1C(=O)[O-])C(=O)c1ccccc1C2=O O=C(O)c1cc2cc(Br)ccc2oc1=O ZINC000000067689 22/92/47/304229247 XFQHPAXNKDYMOX-UHFFFAOYSA-N -1 269.05 CE 2.254 0 Anodyne ref CEAARM O=C([O-])c1cc2cc(Br)ccc2oc1=O C[C@]1(O)N(Cc2ccccn2)C(=O)OC12CCCCC2 ZINC000000068479 12/40/35/361124035 JUGRTBKDASXBSZ-CQSZACIVSA-N 0 276.336 CE 2.445 0 Anodyne ref CEAARN C[C@]1(O)N(Cc2ccccn2)C(=O)OC12CCCCC2 C[C@@]1(O)N(Cc2ccccn2)C(=O)OC12CCCCC2 ZINC000000068486 52/50/70/169525070 JUGRTBKDASXBSZ-AWEZNQCLSA-N 0 276.336 CE 2.445 0 Anodyne ref CEAARN C[C@@]1(O)N(Cc2ccccn2)C(=O)OC12CCCCC2 O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccco1 ZINC000000075066 12/37/34/361123734 MZLDSYCNJZQTAJ-ZDUSSCGKSA-N -1 298.298 CE 2.187 0 Anodyne ref CEAARM O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccco1 in-vitro biogenic O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccco1 ZINC000000075070 12/37/20/361123720 MZLDSYCNJZQTAJ-CYBMUJFWSA-N -1 298.298 CE 2.187 0 Anodyne ref CEAARM O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccco1 in-vitro biogenic O=C(O)/C=C/C(=O)Nc1ccc(Br)cc1 ZINC000000075351 12/37/30/361123730 DSNFUZCLEZJCRN-AATRIKPKSA-N -1 270.082 CE 2.028 0 Anodyne ref CEAARM O=C([O-])/C=C/C(=O)Nc1ccc(Br)cc1 O=C1c2ccccc2C(=O)C1(CCO)c1ccccc1 ZINC000000075996 12/52/06/361125206 OYTDEHSZFPAZPM-UHFFFAOYSA-N 0 266.296 CE 2.386 0 Clean ref CECARN O=C1c2ccccc2C(=O)C1(CCO)c1ccccc1 CC(=O)c1c(C)n(O)c2ccc(Cl)cc2c1=O ZINC000000076093 44/82/39/394448239 RTAWRDPTHHQBNC-UHFFFAOYSA-N 0 251.669 CE 2.403 0 Anodyne ref CEAARN CC(=O)c1c(C)n(O)c2ccc(Cl)cc2c1=O Nc1c(C(=O)Nc2ccccc2)nnn1Cc1ccccc1 ZINC000000076136 12/54/21/361125421 VRPNKRZXCVMIIG-UHFFFAOYSA-N 0 293.33 CE 2.161 0 Anodyne ref CEAARN Nc1c(C(=O)Nc2ccccc2)nnn1Cc1ccccc1 CCOC(=O)c1c(N)sc(C(=O)N2CCCCC2)c1C ZINC000000076167 78/91/79/326789179 WXWBQJRIFVEWGT-UHFFFAOYSA-N 0 296.392 CE 2.442 0 Anodyne ref CEAARN CCOC(=O)c1c(N)sc(C(=O)N2CCCCC2)c1C Cn1nc(C(F)(F)F)c2cc(C(=O)O)sc21 ZINC000000082896 04/34/75/303043475 YBJKAEFBOTWXOW-UHFFFAOYSA-N -1 250.201 CE 2.352 0 Anodyne ref CEAARM Cn1nc(C(F)(F)F)c2cc(C(=O)[O-])sc21 COc1ccc(C=O)cc1CN1CCSCC1 ZINC000000096565 12/76/11/361127611 JYURGPQYEDOSEU-UHFFFAOYSA-N 1 251.351 CE 2.056 2 Anodyne low CEAALO COc1ccc(C=O)cc1C[NH+]1CCSCC1 COc1ccc(C=O)cc1CN1CCSCC1 ZINC000000096565 12/76/03/361127603 JYURGPQYEDOSEU-UHFFFAOYSA-N 0 251.351 CE 2.056 0 Anodyne ref CEAARN COc1ccc(C=O)cc1CN1CCSCC1 O=C(Nc1ccc(OC(F)(F)F)cc1)C1=NN=CC1 ZINC000000098314 12/78/89/361127889 GKVGTRHFYWKMFR-UHFFFAOYSA-N 0 271.198 CE 2.354 0 Anodyne ref CEABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 O=C(O)[C@@H]1CS[C@@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000000101660 13/79/45/304137945 IYXKNSQXIDNVDV-IUCAKERBSA-N 0 277.267 CE 2.494 2 Anodyne low CEAALN O=C([O-])[C@@H]1CS[C@@H](c2ccc(C(F)(F)F)cc2)[NH2+]1 O=C(O)[C@@H]1CS[C@@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000000101660 13/79/42/304137942 IYXKNSQXIDNVDV-IUCAKERBSA-N -1 277.267 CE 2.494 0 Anodyne ref CEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(C(F)(F)F)cc2)N1 O=C(O)[C@@H]1CS[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000000101663 12/94/45/361129445 IYXKNSQXIDNVDV-DTWKUNHWSA-N 0 277.267 CE 2.494 2 Anodyne low CEAALN O=C([O-])[C@@H]1CS[C@H](c2ccc(C(F)(F)F)cc2)[NH2+]1 O=C(O)[C@@H]1CS[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000000101663 12/94/38/361129438 IYXKNSQXIDNVDV-DTWKUNHWSA-N -1 277.267 CE 2.494 0 Anodyne ref CEAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(C(F)(F)F)cc2)N1 O=C(O)CNc1ncnc2sc3c(c12)CCCC3 ZINC000000109745 06/96/37/304069637 ZPFHRIOKAMZMLK-UHFFFAOYSA-N -1 263.322 CE 2.067 0 Anodyne ref CEAARM O=C([O-])CNc1ncnc2sc3c(c12)CCCC3 Cc1sc2ncnc(SCC(=O)O)c2c1C ZINC000000113970 13/09/29/361130929 VSOXJMQZOPRPGI-UHFFFAOYSA-N -1 254.336 CE 2.485 0 Anodyne ref CEAARM Cc1sc2ncnc(SCC(=O)[O-])c2c1C O=C(O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000000121538 13/15/85/361131585 PAXANYFYBRBZOE-UHFFFAOYSA-N -1 285.086 CE 2.237 0 Anodyne ref CEAARM O=C([O-])c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1 ZINC000000122344 13/18/45/361131845 WDBLKANQIMBLDU-UHFFFAOYSA-N 0 254.673 CE 2.484 0 Bother ref CEBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1 CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1 ZINC000000122548 13/14/02/361131402 BIWPQNWGSVWCPP-UHFFFAOYSA-N 0 268.382 CE 2.222 0 Anodyne ref CEAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1 CCOc1ccc(-n2nc3ccc(N)cc3n2)cc1 ZINC000000123082 44/84/68/394448468 JCOYWDAMLRGLRJ-UHFFFAOYSA-N 0 254.293 CE 2.401 0 Anodyne ref CEAARN CCOc1ccc(-n2nc3ccc(N)cc3n2)cc1 O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000000123361 22/67/69/296226769 VSDLHRMCAJKOTJ-UHFFFAOYSA-N 0 254.673 CE 2.484 0 Bother ref CEBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1 ZINC000000124018 13/14/34/361131434 NPKISZUVEBESJI-CQSZACIVSA-N -1 269.3 CE 2.112 0 Anodyne ref CEAARM O=C(N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 in-vitro CCOC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1C ZINC000000126513 54/54/58/169545458 CEUBXXKPXQZBDU-UHFFFAOYSA-N -1 299.348 CE 2.345 0 Anodyne ref CEAARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1C C[C@H]1CN(C2CC(C)(C)NC(C)(C)C2)CCC1=O ZINC000000129254 13/25/90/361132590 SISQFEZLNOSCNG-NSHDSACASA-N 2 252.402 CE 2.207 2 Anodyne low CEAALP C[C@H]1C[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O C[C@H]1CN(C2CC(C)(C)NC(C)(C)C2)CCC1=O ZINC000000129254 13/25/86/361132586 SISQFEZLNOSCNG-NSHDSACASA-N 2 252.402 CE 2.207 2 Anodyne low CEAALP C[C@H]1C[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O C[C@H]1CN(C2CC(C)(C)NC(C)(C)C2)CCC1=O ZINC000000129254 13/25/81/361132581 SISQFEZLNOSCNG-NSHDSACASA-N 1 252.402 CE 2.207 0 Anodyne ref CEAARO C[C@H]1CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O C[C@@H]1CN(C2CC(C)(C)NC(C)(C)C2)CCC1=O ZINC000000129256 13/24/04/361132404 SISQFEZLNOSCNG-LLVKDONJSA-N 2 252.402 CE 2.207 2 Anodyne low CEAALP C[C@@H]1C[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O C[C@@H]1CN(C2CC(C)(C)NC(C)(C)C2)CCC1=O ZINC000000129256 13/23/97/361132397 SISQFEZLNOSCNG-LLVKDONJSA-N 2 252.402 CE 2.207 2 Anodyne low CEAALP C[C@@H]1C[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O C[C@@H]1CN(C2CC(C)(C)NC(C)(C)C2)CCC1=O ZINC000000129256 13/23/90/361132390 SISQFEZLNOSCNG-LLVKDONJSA-N 1 252.402 CE 2.207 0 Anodyne ref CEAARO C[C@@H]1CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O O=C(O)c1ccccc1S(=O)(=O)Cc1ccccc1 ZINC000000129652 13/23/24/361132324 GMVRFXQEJYYRMJ-UHFFFAOYSA-N -1 276.313 CE 2.359 0 Anodyne ref CEAARM O=C([O-])c1ccccc1S(=O)(=O)Cc1ccccc1 COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000000131008 44/81/72/394448172 MLUHDVSELBSKPI-MHWRWJLKSA-N 0 290.344 CE 2.093 0 Mild ref CEEARN COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1 in-vivo N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O ZINC000000133159 54/85/08/169548508 KAFHLONDOVSENM-HNNXBMFYSA-N 0 271.316 CE 2.22 0 Anodyne ref CEAARN [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] in-vitro O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000000133179 50/89/91/296508991 OECHJYYZMSUILG-UHFFFAOYSA-N 0 263.274 CE 2.428 0 Bother ref CEBARN O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)cc1 O=C(O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000000133522 13/32/55/361133255 SEWAAGVSSSBDQV-RFZWMSCOSA-N -1 281.743 CE 2.312 0 Anodyne ref CEAARM O=C([O-])C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 O=C(N[C@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC000000135703 13/40/95/361134095 NFCKUDVYRHEVOM-ZDUSSCGKSA-N 0 264.756 CE 2.164 1 Anodyne mid CEAAMN O=C(N[C@H]1CN2CCC1CC2)c1cccc(Cl)c1 O=C(N[C@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC000000135703 13/40/84/361134084 NFCKUDVYRHEVOM-ZDUSSCGKSA-N 1 264.756 CE 2.164 0 Anodyne ref CEAARO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cccc(Cl)c1 O=C(N[C@@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC000000135705 13/39/48/361133948 NFCKUDVYRHEVOM-CYBMUJFWSA-N 0 264.756 CE 2.164 1 Anodyne mid CEAAMN O=C(N[C@@H]1CN2CCC1CC2)c1cccc(Cl)c1 O=C(N[C@@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC000000135705 13/39/39/361133939 NFCKUDVYRHEVOM-CYBMUJFWSA-N 1 264.756 CE 2.164 0 Anodyne ref CEAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc(Cl)c1