O=C(O)COc1ccc(Br)cc1Br ZINC000000028413 53/01/72/425530172 LIIAWXHMVYLFGT-UHFFFAOYSA-N -1 309.941 DF 2.675 0 Anodyne ref DFAARM O=C([O-])COc1ccc(Br)cc1Br Cc1ccc(Cl)cc1NC(=O)CSc1nnc(N)s1 ZINC000000036115 52/99/58/425529958 RCSGZXWBTFQZGP-UHFFFAOYSA-N 0 314.823 DF 2.813 0 Anodyne ref DFAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(N)s1 CCOC(=O)c1cn(CC)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000000039133 53/17/09/425531709 FDZUDEZZPLTYAJ-UHFFFAOYSA-N 0 324.72 DF 2.76 0 Bother ref DFBARN CCOC(=O)c1cn(CC)c2cc(Cl)c([N+](=O)[O-])cc2c1=O COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 ZINC000000040620 53/21/19/425532119 AUBUTUXRWIGHTD-UHFFFAOYSA-N -1 307.293 DF 2.914 3 Anodyne high DFAAHM COC(=O)c1c([N-]C(=O)C(F)(F)F)sc2c1CCCC2 COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 ZINC000000040620 53/21/14/425532114 AUBUTUXRWIGHTD-UHFFFAOYSA-N 0 307.293 DF 2.914 0 Anodyne ref DFAARN COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 COC(=O)c1cc(Br)cc(Br)c1O ZINC000000043887 53/10/46/425531046 KISQISIKTRRMOX-UHFFFAOYSA-N -1 309.941 DF 2.704 1 Anodyne mid DFAAMM COC(=O)c1cc(Br)cc(Br)c1[O-] COC(=O)c1cc(Br)cc(Br)c1O ZINC000000043887 53/10/42/425531042 KISQISIKTRRMOX-UHFFFAOYSA-N 0 309.941 DF 2.704 0 Anodyne ref DFAARN COC(=O)c1cc(Br)cc(Br)c1O Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000000076399 53/50/26/425535026 FWIYWORLNGZARA-UHFFFAOYSA-N 0 300.796 DF 2.505 0 Anodyne ref DFAARN Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 COC(=O)c1c(N)sc(C(=O)Nc2ccccc2OC)c1C ZINC000000109471 53/68/15/425536815 TWSYQAUFLXYSQV-UHFFFAOYSA-N 0 320.37 DF 2.686 0 Anodyne ref DFAARN COC(=O)c1c(N)sc(C(=O)Nc2ccccc2OC)c1C Cc1cc(O[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 ZINC000000134418 37/83/32/301378332 OSMQHNUQCQAYSP-JTQLQIEISA-N -1 302.326 DF 2.832 0 Anodyne ref DFAARM Cc1cc(O[C@@H](C)C(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3 Cc1cc(O[C@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 ZINC000000134419 37/81/48/301378148 OSMQHNUQCQAYSP-SNVBAGLBSA-N -1 302.326 DF 2.832 0 Anodyne ref DFAARM Cc1cc(O[C@H](C)C(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3 Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1 ZINC000000188213 54/30/93/425543093 WPQPCXKPUOSINE-UHFFFAOYSA-N -1 305.355 DF 2.518 0 Anodyne ref DFAARM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)cc1 CCCN(CCC)[C@@H]1Sc2ccc(C(=O)OC)cc2NC1=O ZINC000000216618 54/66/00/425546600 CPAXLRWITRPWPS-OAHLLOKOSA-N 0 322.43 DF 2.966 0 Anodyne ref DFAARN CCCN(CCC)[C@@H]1Sc2ccc(C(=O)OC)cc2NC1=O CCCN(CCC)[C@H]1Sc2ccc(C(=O)OC)cc2NC1=O ZINC000000216620 21/54/18/283215418 CPAXLRWITRPWPS-HNNXBMFYSA-N 0 322.43 DF 2.966 0 Anodyne ref DFAARN CCCN(CCC)[C@H]1Sc2ccc(C(=O)OC)cc2NC1=O COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 ZINC000000225028 25/29/14/295252914 BXYDRXXLNSREMP-CVEARBPZSA-N -1 311.337 DF 2.69 0 Anodyne ref DFAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1 COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 ZINC000000225031 22/97/36/295229736 BXYDRXXLNSREMP-JKSUJKDBSA-N -1 311.337 DF 2.69 0 Anodyne ref DFAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1 O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000000237387 25/19/74/304251974 ABFLDFICOGECPZ-UHFFFAOYSA-N -1 301.685 DF 2.839 0 Anodyne ref DFAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O COc1ccc(CC(=O)Nc2ccccc2C(=O)O)cc1OC ZINC000000264124 54/93/14/425549314 TXHQHQSMOXLSFH-UHFFFAOYSA-N -1 315.325 DF 2.583 0 Anodyne ref DFAARM COc1ccc(CC(=O)Nc2ccccc2C(=O)[O-])cc1OC NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000000265757 55/01/97/425550197 PUFOFCNHIWPPNN-UHFFFAOYSA-N 0 309.413 DF 2.619 3 Anodyne high DFAAHN NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 in-vitro NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000000265757 55/01/91/425550191 PUFOFCNHIWPPNN-UHFFFAOYSA-N 1 309.413 DF 2.619 0 Anodyne ref DFAARO NC(=O)C1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 in-vitro CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 ZINC000000269662 74/36/57/180743657 ZFKKFYFTGRHWSA-CZUORRHYSA-N 0 308.447 DF 2.858 0 Anodyne ref DFAARN CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 CCOC(=O)CNc1ccc(I)cc1C ZINC000000272305 54/98/88/425549888 JDHKJWNKLTWKDG-UHFFFAOYSA-N 0 319.142 DF 2.575 0 Anodyne ref DFAARN CCOC(=O)CNc1ccc(I)cc1C C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)O ZINC000000278316 55/10/02/425551002 PRXUHYHOJMGTHT-ZETCQYMHSA-N -1 308.717 DF 2.787 0 Anodyne ref DFAARM C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)[O-] C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)O ZINC000000278319 55/15/31/425551531 PRXUHYHOJMGTHT-SSDOTTSWSA-N -1 308.717 DF 2.787 0 Anodyne ref DFAARM C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)[O-] O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000000296062 55/15/46/425551546 SSOMJRJEEVXYPJ-UHFFFAOYSA-N -1 311.746 DF 2.839 1 Anodyne mid DFAAMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000000296062 55/15/43/425551543 SSOMJRJEEVXYPJ-UHFFFAOYSA-N -2 311.746 DF 2.839 0 Anodyne ref DFAARL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 CC(C)(C)C(=O)Nc1ccncc1I ZINC000000334503 81/08/13/275810813 GPMKCDBJLNTANL-UHFFFAOYSA-N 0 304.131 DF 2.671 0 Anodyne ref DFAARN CC(C)(C)C(=O)Nc1ccncc1I CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000364483 55/60/01/425556001 DMLXSDZXXYRPTA-UHFFFAOYSA-N 0 306.343 DF 2.958 2 Bother low DFBALN CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000364483 55/59/95/425555995 DMLXSDZXXYRPTA-UHFFFAOYSA-N -1 306.343 DF 2.958 0 Bother ref DFBARM CCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2 ZINC000000374482 77/05/91/180770591 FXIDHWUPXWXSQG-UHFFFAOYSA-N 0 301.415 DF 2.924 0 Anodyne ref DFAARN Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2 COC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C ZINC000000442700 79/22/21/180792221 MMQKQGACCKDHFT-UHFFFAOYSA-N 0 304.371 DF 2.986 0 Anodyne ref DFAARN COC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S ZINC000000467422 56/30/50/425563050 WYCLSGGCWPZUKL-UHFFFAOYSA-N -1 307.375 DF 2.819 1 Mild mid DFEAMM C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[n-]c1=S C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S ZINC000000467422 56/30/46/425563046 WYCLSGGCWPZUKL-UHFFFAOYSA-N 0 307.375 DF 2.819 0 Mild ref DFEARN C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 ZINC000000482280 56/50/50/425565050 KIUSUKXNYGTBKW-UHFFFAOYSA-N -2 305.355 DF 2.802 3 Anodyne high DFAAHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 ZINC000000482280 56/50/47/425565047 KIUSUKXNYGTBKW-UHFFFAOYSA-N -1 305.355 DF 2.802 0 Anodyne ref DFAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000000528394 43/97/32/134439732 BNSGONYNVPTQMP-UHFFFAOYSA-N 0 321.833 DF 2.946 0 Anodyne ref DFAARN Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)O)cc1 ZINC000000555137 56/77/98/425567798 MUQRZUWAHRYECV-UHFFFAOYSA-N -1 305.355 DF 2.518 0 Anodyne ref DFAARM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1 Cc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C ZINC000000582174 56/99/09/425569909 ZSGFYVUXTDCCRN-UHFFFAOYSA-N -2 305.355 DF 2.802 3 Anodyne high DFAAHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C Cc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C ZINC000000582174 56/99/05/425569905 ZSGFYVUXTDCCRN-UHFFFAOYSA-N -1 305.355 DF 2.802 0 Anodyne ref DFAARM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C O=C(O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000582922 82/65/70/180826570 UYPGASJOMVHERA-CQSZACIVSA-N -1 303.339 DF 2.752 0 Anodyne ref DFAARM O=C([O-])c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 O=C(O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000582924 25/08/81/304250881 UYPGASJOMVHERA-AWEZNQCLSA-N -1 303.339 DF 2.752 0 Anodyne ref DFAARM O=C([O-])c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 O=S(=O)(Nc1cccc2cccnc12)c1ccccc1O ZINC000001233330 57/68/13/425576813 JUAGSUBXSCUKRO-UHFFFAOYSA-N -2 300.339 DF 2.741 3 Anodyne high DFAAHL O=S(=O)([N-]c1cccc2cccnc12)c1ccccc1[O-] O=S(=O)(Nc1cccc2cccnc12)c1ccccc1O ZINC000001233330 57/68/07/425576807 JUAGSUBXSCUKRO-UHFFFAOYSA-N 0 300.339 DF 2.741 2 Anodyne low DFAALN O=S(=O)(Nc1cccc2cccnc12)c1ccccc1O O=S(=O)(Nc1cccc2cccnc12)c1ccccc1O ZINC000001233330 57/67/98/425576798 JUAGSUBXSCUKRO-UHFFFAOYSA-N -1 300.339 DF 2.741 0 Anodyne ref DFAARM O=S(=O)([N-]c1cccc2cccnc12)c1ccccc1O Brc1nc(Br)n(Cc2ccccc2)n1 ZINC000001387030 57/98/44/425579844 YXSNCHAOAYRKCF-UHFFFAOYSA-N 0 316.984 DF 2.851 0 Anodyne ref DFAARN Brc1nc(Br)n(Cc2ccccc2)n1 CN(C)c1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000001408189 29/49/31/282294931 VSDUZOLYIPLEJP-HNNXBMFYSA-N 0 306.373 DF 2.599 1 Clean mid DFCAMN CN(C)c1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1 CN(C)c1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000001408189 29/49/29/282294929 VSDUZOLYIPLEJP-HNNXBMFYSA-N 1 306.373 DF 2.599 0 Clean ref DFCARO CN(C)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 CN(C)c1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000001408193 58/02/73/425580273 VSDUZOLYIPLEJP-OAHLLOKOSA-N 0 306.373 DF 2.599 1 Clean mid DFCAMN CN(C)c1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1 CN(C)c1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000001408193 58/02/70/425580270 VSDUZOLYIPLEJP-OAHLLOKOSA-N 1 306.373 DF 2.599 0 Clean ref DFCARO CN(C)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 COc1ccc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000001468130 86/87/11/180868711 NSVSDYCWRPBVAF-RVDMUPIBSA-N 0 310.378 DF 2.957 0 Anodyne ref DFAARN COc1ccc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1 O=[N+]([O-])c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001704132 58/56/65/425585665 DGNVEKKAEPFSIH-UHFFFAOYSA-N 0 304.258 DF 2.961 0 Bother ref DFBARN O=[N+]([O-])c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 CCOC(=O)c1sc(NC(=O)CCCl)c(C#N)c1C ZINC000001964988 98/42/31/263984231 WCCHBHKPVOLCJC-UHFFFAOYSA-N 0 300.767 DF 2.672 0 Reactive ref DFGARN CCOC(=O)c1sc(NC(=O)CCCl)c(C#N)c1C CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N ZINC000002019492 58/83/37/425588337 CMHHMUWAYWTMGS-UHFFFAOYSA-N 0 308.422 DF 2.946 3 Anodyne high DFAAHN CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N world CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N ZINC000002019492 58/83/28/425588328 CMHHMUWAYWTMGS-UHFFFAOYSA-N 1 308.422 DF 2.946 0 Anodyne ref DFAARO CCCCOc1cc(C(=O)OCC[NH+](CC)CC)ccc1N world Cc1cc(=O)oc2c3c(cc(OCC(=O)O)c12)OC(C)(C)CC3 ZINC000002126848 06/86/58/301068658 HUCGRVDDOLCARB-UHFFFAOYSA-N -1 318.325 DF 2.668 0 Anodyne ref DFAARM Cc1cc(=O)oc2c3c(cc(OCC(=O)[O-])c12)OC(C)(C)CC3 C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002384764 59/25/23/425592523 QWXZOFZKSQXPDC-NSHDSACASA-N -1 311.337 DF 2.998 0 Anodyne ref DFAARM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] Cc1c(O[C@@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002476030 59/49/83/425594983 PZGWUROEALRBFV-JTQLQIEISA-N -1 302.326 DF 2.832 0 Anodyne ref DFAARM Cc1c(O[C@@H](C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 Cc1c(O[C@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002476031 59/50/72/425595072 PZGWUROEALRBFV-SNVBAGLBSA-N -1 302.326 DF 2.832 0 Anodyne ref DFAARM Cc1c(O[C@H](C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 O=C(CSc1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002503664 59/54/26/425595426 AIAIYCITUDYVFT-UHFFFAOYSA-N 0 307.306 DF 2.86 0 Bother ref DFBARN O=C(CSc1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1 Brc1nc(Br)n([C@@H]2CCCCO2)n1 ZINC000002518811 59/51/78/425595178 OUOQLEMKKVUYLC-YFKPBYRVSA-N 0 310.977 DF 2.502 0 Anodyne ref DFAARN Brc1nc(Br)n([C@@H]2CCCCO2)n1 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000002539209 59/56/62/425595662 NFVNYBJCJGKVQK-ZDUSSCGKSA-N -1 304.346 DF 2.688 0 Anodyne ref DFAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] COC(=O)c1c(N)sc(C(=O)Nc2ccc(OC)cc2)c1C ZINC000002576180 59/62/25/425596225 DDSJZHGBTOXMHU-UHFFFAOYSA-N 0 320.37 DF 2.686 0 Anodyne ref DFAARN COC(=O)c1c(N)sc(C(=O)Nc2ccc(OC)cc2)c1C CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1 ZINC000002816967 60/29/91/425602991 DNZYLGOGJJPGJF-UHFFFAOYSA-N -1 319.382 DF 2.529 0 Anodyne ref DFAARM CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1 COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 ZINC000002944901 25/24/11/295252411 BXYDRXXLNSREMP-HOTGVXAUSA-N -1 311.337 DF 2.69 0 Anodyne ref DFAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1 CCOC(=O)C(=CNc1ccc(F)c(F)c1F)C(=O)OCC ZINC000003002576 60/88/25/425608825 KSWGDSAIUPPJIB-UHFFFAOYSA-N 0 317.263 DF 2.526 0 Anodyne ref DFAARN CCOC(=O)C(C=Nc1ccc(F)c(F)c1F)C(=O)OCC CCOC(=O)c1cn(CCF)c2c(F)c(F)c(F)cc2c1=O ZINC000003883039 05/22/07/181052207 HDGNABAQEHQIFQ-UHFFFAOYSA-N 0 317.238 DF 2.565 0 Anodyne ref DFAARN CCOC(=O)c1cn(CCF)c2c(F)c(F)c(F)cc2c1=O CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 ZINC000003894065 05/37/10/181053710 ZFKKFYFTGRHWSA-BBRMVZONSA-N 0 308.447 DF 2.858 0 Anodyne ref DFAARN CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 Cc1cc(C)nc(/N=C(\N)Nc2ccc(Br)cc2)n1 ZINC000004003345 06/13/87/181061387 OUUHFKCLPVNXFY-UHFFFAOYSA-N 1 320.194 DF 2.914 2 Mild low DFEALO Cc1cc(C)nc(NC(=[NH2+])Nc2ccc(Br)cc2)n1 Cc1cc(C)nc(/N=C(\N)Nc2ccc(Br)cc2)n1 ZINC000004003345 06/13/85/181061385 OUUHFKCLPVNXFY-UHFFFAOYSA-N 0 320.194 DF 2.914 0 Mild ref DFEARN Cc1cc(C)nc(NC(=N)Nc2ccc(Br)cc2)n1 Cc1cc(C)nc(/N=C(/N)Nc2ccccc2Br)n1 ZINC000004004009 06/11/98/181061198 VUQGDXUZBOTLAN-UHFFFAOYSA-N 1 320.194 DF 2.914 2 Mild low DFEALO Cc1cc(C)nc(NC(=[NH2+])Nc2ccccc2Br)n1 Cc1cc(C)nc(/N=C(/N)Nc2ccccc2Br)n1 ZINC000004004009 06/11/96/181061196 VUQGDXUZBOTLAN-UHFFFAOYSA-N 0 320.194 DF 2.914 0 Mild ref DFEARN Cc1cc(C)nc(NC(=N)Nc2ccccc2Br)n1 Cc1cc(C)nc(/N=C(\N)N2CCC(Cc3ccccc3)CC2)n1 ZINC000004112637 07/45/33/181074533 WFROMEGOURCVLP-UHFFFAOYSA-N 0 323.444 DF 2.994 3 Mild high DFEAHN Cc1cc(C)nc(NC(=N)N2CCC(Cc3ccccc3)CC2)n1 Cc1cc(C)nc(/N=C(\N)N2CCC(Cc3ccccc3)CC2)n1 ZINC000004112637 07/45/32/181074532 WFROMEGOURCVLP-UHFFFAOYSA-N 1 323.444 DF 2.994 0 Mild ref DFEARO Cc1cc(C)nc(NC(=[NH2+])N2CCC(Cc3ccccc3)CC2)n1 Cc1ccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1Cl ZINC000004157272 07/98/70/181079870 IEHAZZSMZGWLDQ-HGSJOUDDSA-N 0 316.788 DF 2.825 0 Anodyne ref DFAARN Cc1ccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1Cl Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1Cl ZINC000004157273 07/94/07/181079407 IEHAZZSMZGWLDQ-JLUCKKNBSA-N 0 316.788 DF 2.825 0 Anodyne ref DFAARN Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1Cl Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004240013 49/72/37/303497237 OYQKPHYUBCDZCK-UHFFFAOYSA-N 0 306.431 DF 2.516 0 Anodyne ref DFAARN Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 O=C(c1ccc(N2CCNCC2)cc1)c1cccc(Cl)c1 ZINC000004245557 61/86/50/425618650 QOBKOVGSAHQBPI-UHFFFAOYSA-N 0 300.789 DF 2.981 3 Anodyne high DFAAHN O=C(c1ccc(N2CCNCC2)cc1)c1cccc(Cl)c1 O=C(c1ccc(N2CCNCC2)cc1)c1cccc(Cl)c1 ZINC000004245557 61/86/43/425618643 QOBKOVGSAHQBPI-UHFFFAOYSA-N 1 300.789 DF 2.981 0 Anodyne ref DFAARO O=C(c1ccc(N2CC[NH2+]CC2)cc1)c1cccc(Cl)c1 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(N)c1 ZINC000004343542 10/05/85/181100585 LAALBRWVLGNBEQ-UHFFFAOYSA-N 0 314.341 DF 2.521 0 Anodyne ref DFAARN COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(N)c1 O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccccc1 ZINC000004344180 61/95/46/425619546 CBTLBNSQWKCFPH-UHFFFAOYSA-N 0 312.373 DF 2.617 3 Bother high DFBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccccc1 O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccccc1 ZINC000004344180 61/95/40/425619540 CBTLBNSQWKCFPH-UHFFFAOYSA-N 1 312.373 DF 2.617 0 Bother ref DFBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCc1ccccc1 CCc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000004387152 46/08/51/134460851 LFJNYDJMEZIPPO-UHFFFAOYSA-N 0 309.413 DF 2.794 0 Clean ref DFCARN CCc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 COc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC ZINC000004410283 10/76/26/181107626 QDBBFORVWWODCU-JOQOYGCGSA-N 0 321.417 DF 2.668 3 Anodyne high DFAAHN COc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC COc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC ZINC000004410283 10/76/24/181107624 QDBBFORVWWODCU-JOQOYGCGSA-N 1 321.417 DF 2.668 0 Anodyne ref DFAARO COc1ccc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC ZINC000004410284 10/73/72/181107372 QDBBFORVWWODCU-YEWWUXTCSA-N 0 321.417 DF 2.668 3 Anodyne high DFAAHN COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC ZINC000004410284 10/73/70/181107370 QDBBFORVWWODCU-YEWWUXTCSA-N 1 321.417 DF 2.668 0 Anodyne ref DFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)c(OC)c1OC ZINC000004410285 10/71/60/181107160 QDBBFORVWWODCU-XUWXXGDYSA-N 0 321.417 DF 2.668 3 Anodyne high DFAAHN COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)c(OC)c1OC COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)c(OC)c1OC ZINC000004410285 10/71/57/181107157 QDBBFORVWWODCU-XUWXXGDYSA-N 1 321.417 DF 2.668 0 Anodyne ref DFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)c(OC)c1OC CC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccccc3)c2C1 ZINC000004559655 89/87/77/280898777 CJBODQBJMBBQAQ-UHFFFAOYSA-N -1 311.337 DF 2.691 0 Anodyne ref DFAARM CC1(C)CC(=O)c2cc(C(=O)[O-])c(=O)n(-c3ccccc3)c2C1 O=C(O)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1 ZINC000004641419 13/12/68/181131268 QMXJMLPXSYQTQQ-UHFFFAOYSA-N -1 314.746 DF 2.746 0 Anodyne ref DFAARM O=C([O-])c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1 Cc1ccccc1CN(c1ccc(C(=O)O)cc1)S(C)(=O)=O ZINC000004703251 13/97/57/181139757 ZIJNIMRUHFVHIJ-UHFFFAOYSA-N -1 319.382 DF 2.659 0 Anodyne ref DFAARM Cc1ccccc1CN(c1ccc(C(=O)[O-])cc1)S(C)(=O)=O Cc1ccc(CN(c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1 ZINC000004703676 13/98/24/181139824 SDFTZUFSQFSXRN-UHFFFAOYSA-N -1 319.382 DF 2.659 0 Anodyne ref DFAARM Cc1ccc(CN(c2ccc(C(=O)[O-])cc2)S(C)(=O)=O)cc1 Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1 ZINC000004719355 14/14/69/181141469 AVJOHBPFDLGHEK-UHFFFAOYSA-N -1 319.382 DF 2.583 0 Anodyne ref DFAARM Cc1cc(C)cc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c1 Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000004719356 14/18/94/181141894 AOFKGPJCHYEWAO-UHFFFAOYSA-N -1 319.382 DF 2.583 0 Anodyne ref DFAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c(C)c1 COc1ccc(C=O)cc1CSc1ncccc1C(=O)O ZINC000004731371 14/35/32/181143532 BFVCQFSXFVYHBP-UHFFFAOYSA-N -1 303.339 DF 2.893 0 Anodyne ref DFAARM COc1ccc(C=O)cc1CSc1ncccc1C(=O)[O-] Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2C)cc1 ZINC000004756638 14/88/60/181148860 YBSDWKVTCAMMAH-UHFFFAOYSA-N -2 305.355 DF 2.802 3 Anodyne high DFAAHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2C)cc1 ZINC000004756638 14/88/57/181148857 YBSDWKVTCAMMAH-UHFFFAOYSA-N -1 305.355 DF 2.802 0 Anodyne ref DFAARM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1 Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1C ZINC000004818940 15/59/89/181155989 BEIQAVSPWGNCMX-UHFFFAOYSA-N -1 319.382 DF 2.583 0 Anodyne ref DFAARM Cc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c1C N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 ZINC000004905382 46/60/56/134466056 SOZFFYQRCNJDOU-UHFFFAOYSA-N 0 308.341 DF 2.793 0 Mild ref DFEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1C ZINC000004957286 17/95/20/181179520 LDNXKDBVEROPBM-UHFFFAOYSA-N -1 319.382 DF 2.583 0 Anodyne ref DFAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1C