CS(=O)(=O)c1ncc(CO)n1Cc1ccccc1 ZINC000001392478 95/39/49/347953949 SBFWCAHNEMQRKW-UHFFFAOYSA-N 0 266.322 CC 0.827 0 Anodyne ref CCAARN CS(=O)(=O)c1ncc(CO)n1Cc1ccccc1 COc1cc(C(=O)N2CCNCC2)cc(OC)c1OC ZINC000004893995 36/92/91/230369291 QYQBLZDLNPLGCY-UHFFFAOYSA-N 0 280.324 CC 0.758 1 Anodyne mid CCAAMN COc1cc(C(=O)N2CCNCC2)cc(OC)c1OC COc1cc(C(=O)N2CCNCC2)cc(OC)c1OC ZINC000004893995 36/92/90/230369290 QYQBLZDLNPLGCY-UHFFFAOYSA-N 1 280.324 CC 0.758 0 Anodyne ref CCAARO COc1cc(C(=O)N2CC[NH2+]CC2)cc(OC)c1OC O=C(O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000005067416 76/10/37/388761037 PIUONSSETPGSLY-BXKDBHETSA-N -1 287.275 CC 0.827 1 Anodyne mid CCAAMM O=C([O-])[C@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000005067416 76/10/34/388761034 PIUONSSETPGSLY-BXKDBHETSA-N 0 287.275 CC 0.827 1 Anodyne mid CCAAMN O=C([O-])[C@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000005067416 76/10/27/388761027 PIUONSSETPGSLY-BXKDBHETSA-N -1 287.275 CC 0.827 0 Anodyne ref CCAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)N1 ZINC000005067419 20/80/29/304208029 PIUONSSETPGSLY-SKDRFNHKSA-N -1 287.275 CC 0.827 1 Anodyne mid CCAAMM O=C([O-])[C@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)N1 ZINC000005067419 20/80/27/304208027 PIUONSSETPGSLY-SKDRFNHKSA-N 0 287.275 CC 0.827 1 Anodyne mid CCAAMN O=C([O-])[C@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)N1 ZINC000005067419 20/80/24/304208024 PIUONSSETPGSLY-SKDRFNHKSA-N -1 287.275 CC 0.827 0 Anodyne ref CCAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000005067421 76/10/73/388761073 PIUONSSETPGSLY-JOYOIKCWSA-N -1 287.275 CC 0.827 1 Anodyne mid CCAAMM O=C([O-])[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000005067421 76/10/71/388761071 PIUONSSETPGSLY-JOYOIKCWSA-N 0 287.275 CC 0.827 1 Anodyne mid CCAAMN O=C([O-])[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000005067421 76/10/69/388761069 PIUONSSETPGSLY-JOYOIKCWSA-N -1 287.275 CC 0.827 0 Anodyne ref CCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)N1 ZINC000005067425 15/38/49/304153849 PIUONSSETPGSLY-CABZTGNLSA-N -1 287.275 CC 0.827 1 Anodyne mid CCAAMM O=C([O-])[C@@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)N1 ZINC000005067425 15/38/45/304153845 PIUONSSETPGSLY-CABZTGNLSA-N 0 287.275 CC 0.827 1 Anodyne mid CCAAMN O=C([O-])[C@@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc3c(c2)OCO3)N1 ZINC000005067425 15/38/38/304153838 PIUONSSETPGSLY-CABZTGNLSA-N -1 287.275 CC 0.827 0 Anodyne ref CCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccc3c(c2)OCO3)N1 O=C(O)c1cccc([N+](=O)[O-])c1N1CCNCC1 ZINC000006732063 37/15/96/397371596 BFBIXTPJJSLRIX-UHFFFAOYSA-N -1 251.242 CC 0.703 3 Bother high CCBAHM O=C([O-])c1cccc([N+](=O)[O-])c1N1CCNCC1 O=C(O)c1cccc([N+](=O)[O-])c1N1CCNCC1 ZINC000006732063 37/15/90/397371590 BFBIXTPJJSLRIX-UHFFFAOYSA-N 0 251.242 CC 0.703 0 Bother ref CCBARN O=C([O-])c1cccc([N+](=O)[O-])c1N1CC[NH2+]CC1 Nc1ncc(Br)nc1N1CCNCC1 ZINC000006745215 37/18/84/397371884 UMJBQCDGKLHYPT-UHFFFAOYSA-N 0 258.123 CC 0.231 3 Anodyne high CCAAHN Nc1ncc(Br)nc1N1CCNCC1 Nc1ncc(Br)nc1N1CCNCC1 ZINC000006745215 37/18/78/397371878 UMJBQCDGKLHYPT-UHFFFAOYSA-N 1 258.123 CC 0.231 0 Anodyne ref CCAARO Nc1ncc(Br)nc1N1CC[NH2+]CC1 Nc1ncc(Br)nc1N1CCOCC1 ZINC000006745239 37/08/44/295370844 CWVGSOUZYXNHLF-UHFFFAOYSA-N 0 259.107 CC 0.658 0 Anodyne ref CCAARN Nc1ncc(Br)nc1N1CCOCC1 C[C@@H]1CN(c2nc(Br)cnc2N)CCN1 ZINC000006745320 36/76/98/274367698 IXVFIGMMPKAQFO-ZCFIWIBFSA-N 0 272.15 CC 0.619 3 Anodyne high CCAAHN C[C@@H]1CN(c2nc(Br)cnc2N)CCN1 C[C@@H]1CN(c2nc(Br)cnc2N)CCN1 ZINC000006745320 36/76/93/274367693 IXVFIGMMPKAQFO-ZCFIWIBFSA-N 1 272.15 CC 0.619 0 Anodyne ref CCAARO C[C@@H]1CN(c2nc(Br)cnc2N)CC[NH2+]1 C[C@H]1CN(c2nc(Br)cnc2N)CCN1 ZINC000006745330 59/77/50/274597750 IXVFIGMMPKAQFO-LURJTMIESA-N 0 272.15 CC 0.619 3 Anodyne high CCAAHN C[C@H]1CN(c2nc(Br)cnc2N)CCN1 C[C@H]1CN(c2nc(Br)cnc2N)CCN1 ZINC000006745330 59/77/49/274597749 IXVFIGMMPKAQFO-LURJTMIESA-N 1 272.15 CC 0.619 0 Anodyne ref CCAARO C[C@H]1CN(c2nc(Br)cnc2N)CC[NH2+]1 Nc1ncc(Br)nc1N1CCCNCC1 ZINC000006745343 37/32/47/397373247 SHBAZYWQPREMSZ-UHFFFAOYSA-N 1 272.15 CC 0.621 0 Anodyne ref CCAARO Nc1ncc(Br)nc1N1CCC[NH2+]CC1 O=[N+]([O-])c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000008418168 03/66/33/275036633 NHIZXWJIYCQIRS-UHFFFAOYSA-N 0 252.23 CC 0.913 3 Bother high CCBAHN O=[N+]([O-])c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 O=[N+]([O-])c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000008418168 03/66/32/275036632 NHIZXWJIYCQIRS-UHFFFAOYSA-N 1 252.23 CC 0.913 0 Bother ref CCBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1 O=C1c2ccccc2C(=O)N1CCN1CCNCC1 ZINC000019798399 07/06/05/348070605 RNVRPMJIWZILNQ-UHFFFAOYSA-N 1 259.309 CC 0.188 0 Anodyne ref CCAARO O=C1c2ccccc2C(=O)N1CCN1CC[NH2+]CC1 CC(C)(C)OC(=O)NCCN1C[C@@H](C(=O)O)CC1=O ZINC000022014089 34/93/78/171349378 RQIMNWCKEGTHJK-QMMMGPOBSA-N -1 272.301 CC 0.444 0 Anodyne ref CCAARM CC(C)(C)OC(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O CC(C)(C)OC(=O)NCCN1C[C@H](C(=O)O)CC1=O ZINC000022014094 34/90/58/171349058 RQIMNWCKEGTHJK-MRVPVSSYSA-N -1 272.301 CC 0.444 0 Anodyne ref CCAARM CC(C)(C)OC(=O)NCCN1C[C@H](C(=O)[O-])CC1=O CC(C)(C)OC(=O)N1CCN(Cn2cncn2)CC1 ZINC000022113781 35/29/59/171352959 RLXVCEBPWOADHO-UHFFFAOYSA-N 0 267.333 CC 0.788 0 Anodyne ref CCAARN CC(C)(C)OC(=O)N1CCN(Cn2cncn2)CC1 CS(=O)(=O)c1n[nH]c(NCc2ccccc2)n1 ZINC000022116053 35/35/34/171353534 WFQFBJXPKGBRRO-UHFFFAOYSA-N 0 252.299 CC 0.82 2 Anodyne low CCAALN CS(=O)(=O)c1nc(NCc2ccccc2)n[nH]1 CS(=O)(=O)c1n[nH]c(NCc2ccccc2)n1 ZINC000022116053 35/35/33/171353533 WFQFBJXPKGBRRO-UHFFFAOYSA-N 0 252.299 CC 0.82 1 Anodyne mid CCAAMN CS(=O)(=O)c1n[nH]c(NCc2ccccc2)n1 CS(=O)(=O)c1n[nH]c(NCc2ccccc2)n1 ZINC000022116053 35/35/31/171353531 WFQFBJXPKGBRRO-UHFFFAOYSA-N -1 252.299 CC 0.82 1 Anodyne mid CCAAMM CS(=O)(=O)c1n[n-]c(NCc2ccccc2)n1 CS(=O)(=O)c1n[nH]c(NCc2ccccc2)n1 ZINC000022116053 35/35/30/171353530 WFQFBJXPKGBRRO-UHFFFAOYSA-N -1 252.299 CC 0.82 1 Anodyne mid CCAAMM CS(=O)(=O)c1nc(NCc2ccccc2)n[n-]1 CS(=O)(=O)c1n[nH]c(NCc2ccccc2)n1 ZINC000022116053 35/35/28/171353528 WFQFBJXPKGBRRO-UHFFFAOYSA-N -1 252.299 CC 0.82 0 Anodyne ref CCAARM CS(=O)(=O)c1nnc(NCc2ccccc2)[n-]1 CC(C)(C)OC(=O)CCNCCN1CCOCC1 ZINC000022588558 39/29/65/171392965 MSKSKQOHLYPUBX-UHFFFAOYSA-N 1 258.362 CC 0.64 0 Anodyne ref CCAARO CC(C)(C)OC(=O)CC[NH2+]CCN1CCOCC1 CON(C)C(=O)CNC(=O)OCc1ccccc1 ZINC000026401875 82/12/32/388821232 NWYPLKICSHBTAJ-UHFFFAOYSA-N 0 252.27 CC 0.933 0 Anodyne ref CCAARN CON(C)C(=O)CNC(=O)OCc1ccccc1 CC1(C)O[C@H]2O[C@H](CN3CCCCC3)[C@H](O)[C@H]2O1 ZINC000034781530 37/52/74/397375274 KRAQLAQMAHCTHG-WRWGMCAJSA-N 0 257.33 CC 0.71 3 Anodyne high CCAAHN CC1(C)O[C@H]2O[C@H](CN3CCCCC3)[C@H](O)[C@H]2O1 CC1(C)O[C@H]2O[C@H](CN3CCCCC3)[C@H](O)[C@H]2O1 ZINC000034781530 37/52/58/397375258 KRAQLAQMAHCTHG-WRWGMCAJSA-N 1 257.33 CC 0.71 0 Anodyne ref CCAARO CC1(C)O[C@H]2O[C@H](C[NH+]3CCCCC3)[C@H](O)[C@H]2O1 O=C1c2ccccc2C(=O)N1CCN1CCCNCC1 ZINC000037400014 17/75/91/173177591 HTFUWUJSBZRSCY-UHFFFAOYSA-N 1 273.336 CC 0.578 0 Anodyne ref CCAARO O=C1c2ccccc2C(=O)N1CCN1CCC[NH2+]CC1 COc1cc([C@@H]2CNCCN2)cc(OC)c1OC ZINC000039564228 17/00/44/174170044 SZZIGSBHEDAVBX-JTQLQIEISA-N 0 252.314 CC 0.946 3 Anodyne high CCAAHN COc1cc([C@@H]2CNCCN2)cc(OC)c1OC COc1cc([C@@H]2CNCCN2)cc(OC)c1OC ZINC000039564228 17/00/42/174170042 SZZIGSBHEDAVBX-JTQLQIEISA-N 1 252.314 CC 0.946 0 Anodyne ref CCAARO COc1cc([C@@H]2C[NH2+]CCN2)cc(OC)c1OC COc1cc([C@H]2CNCCN2)cc(OC)c1OC ZINC000039564229 17/01/19/174170119 SZZIGSBHEDAVBX-SNVBAGLBSA-N 0 252.314 CC 0.946 3 Anodyne high CCAAHN COc1cc([C@H]2CNCCN2)cc(OC)c1OC COc1cc([C@H]2CNCCN2)cc(OC)c1OC ZINC000039564229 17/01/15/174170115 SZZIGSBHEDAVBX-SNVBAGLBSA-N 1 252.314 CC 0.946 0 Anodyne ref CCAARO COc1cc([C@H]2C[NH2+]CCN2)cc(OC)c1OC O=C1c2ccccc2C(=O)N1CCCN1CCNCC1 ZINC000041157819 24/88/86/348248886 DRHBTIYXNWOQDF-UHFFFAOYSA-N 1 273.336 CC 0.578 0 Anodyne ref CCAARO O=C1c2ccccc2C(=O)N1CCCN1CC[NH2+]CC1 O=C1c2ccccc2C(=O)N1CCCN1CCCNCC1 ZINC000044367792 16/80/98/175168098 QIXVAYRYRYUJDP-UHFFFAOYSA-N 2 287.363 CC 0.968 2 Anodyne low CCAALP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[NH2+]CC1 O=C1c2ccccc2C(=O)N1CCCN1CCCNCC1 ZINC000044367792 16/80/96/175168096 QIXVAYRYRYUJDP-UHFFFAOYSA-N 2 287.363 CC 0.968 2 Anodyne low CCAALP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[NH2+]CC1 O=C1c2ccccc2C(=O)N1CCCN1CCCNCC1 ZINC000044367792 16/80/94/175168094 QIXVAYRYRYUJDP-UHFFFAOYSA-N 1 287.363 CC 0.968 0 Anodyne ref CCAARO O=C1c2ccccc2C(=O)N1CCCN1CCC[NH2+]CC1 C[C@@H](CNCCN1CCOCC1)C(=O)OC(C)(C)C ZINC000047219048 87/89/24/388878924 JUCJBTDPDNUPDG-LBPRGKRZSA-N 1 272.389 CC 0.886 0 Anodyne ref CCAARO C[C@@H](C[NH2+]CCN1CCOCC1)C(=O)OC(C)(C)C C[C@H](CNCCN1CCOCC1)C(=O)OC(C)(C)C ZINC000047219049 87/85/75/388878575 JUCJBTDPDNUPDG-GFCCVEGCSA-N 1 272.389 CC 0.886 0 Anodyne ref CCAARO C[C@H](C[NH2+]CCN1CCOCC1)C(=O)OC(C)(C)C CS(=O)(=O)c1ncc(CO)n1Cc1ccco1 ZINC000047219254 87/88/50/388878850 GEAFMJJRIXDIHM-UHFFFAOYSA-N 0 256.283 CC 0.42 0 Anodyne ref CCAARN CS(=O)(=O)c1ncc(CO)n1Cc1ccco1 CCN(CC)CCn1c(CO)cnc1S(C)(=O)=O ZINC000047219265 87/87/36/388878736 HWNLYRIFQPGCML-UHFFFAOYSA-N 0 275.374 CC 0.121 1 Anodyne mid CCAAMN CCN(CC)CCn1c(CO)cnc1S(C)(=O)=O CCN(CC)CCn1c(CO)cnc1S(C)(=O)=O ZINC000047219265 87/87/25/388878725 HWNLYRIFQPGCML-UHFFFAOYSA-N 1 275.374 CC 0.121 0 Anodyne ref CCAARO CC[NH+](CC)CCn1c(CO)cnc1S(C)(=O)=O CCOCCCn1c(CO)cnc1S(C)(=O)=O ZINC000047219268 87/89/90/388878990 XZNBUFDPMZCSRJ-UHFFFAOYSA-N 0 262.331 CC 0.206 0 Anodyne ref CCAARN CCOCCCn1c(CO)cnc1S(C)(=O)=O CCN(CC)CCCn1c(CO)cnc1S(C)(=O)=O ZINC000047219278 87/88/15/388878815 NGFUVFHAGDDFRK-UHFFFAOYSA-N 0 289.401 CC 0.511 3 Anodyne high CCAAHN CCN(CC)CCCn1c(CO)cnc1S(C)(=O)=O CCN(CC)CCCn1c(CO)cnc1S(C)(=O)=O ZINC000047219278 87/88/11/388878811 NGFUVFHAGDDFRK-UHFFFAOYSA-N 1 289.401 CC 0.511 0 Anodyne ref CCAARO CC[NH+](CC)CCCn1c(CO)cnc1S(C)(=O)=O CC(C)OCCCn1c(CO)cnc1S(C)(=O)=O ZINC000047219279 87/89/97/388878997 KTYFRZBWHKJBAA-UHFFFAOYSA-N 0 276.358 CC 0.594 0 Anodyne ref CCAARN CC(C)OCCCn1c(CO)cnc1S(C)(=O)=O Nc1cnn(CCN2C(=O)c3ccccc3C2=O)c1 ZINC000050614952 47/73/57/348477357 NTKZHDHNQWFVBV-UHFFFAOYSA-N 0 256.265 CC 0.761 0 Anodyne ref CCAARN Nc1cnn(CCN2C(=O)c3ccccc3C2=O)c1 C[C@@H]1CNCCN1CCN1C(=O)c2ccccc2C1=O ZINC000054373760 55/53/41/348555341 MHGXWZXKBUMWCD-LLVKDONJSA-N 1 273.336 CC 0.576 0 Anodyne ref CCAARO C[C@@H]1C[NH2+]CCN1CCN1C(=O)c2ccccc2C1=O C[C@H]1CNCCN1CCN1C(=O)c2ccccc2C1=O ZINC000054373762 55/51/42/348555142 MHGXWZXKBUMWCD-NSHDSACASA-N 1 273.336 CC 0.576 0 Anodyne ref CCAARO C[C@H]1C[NH2+]CCN1CCN1C(=O)c2ccccc2C1=O O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000067799441 78/47/87/348784787 XNMXSIVSKRHCHE-UHFFFAOYSA-N 0 294.267 CC 0.938 3 Bother high CCBAHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCNCC1 O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000067799441 78/47/83/348784783 XNMXSIVSKRHCHE-UHFFFAOYSA-N 1 294.267 CC 0.938 0 Bother ref CCBARO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 C[C@@H]1CNCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000067799618 78/50/03/348785003 NPVXHBDGODXHIW-GFCCVEGCSA-N 1 287.363 CC 0.966 0 Anodyne ref CCAARO C[C@@H]1C[NH2+]CCN1CCCN1C(=O)c2ccccc2C1=O C[C@H]1CNCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000067799620 78/49/27/348784927 NPVXHBDGODXHIW-LBPRGKRZSA-N 1 287.363 CC 0.966 0 Anodyne ref CCAARO C[C@H]1C[NH2+]CCN1CCCN1C(=O)c2ccccc2C1=O O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCNCC1 ZINC000067799875 01/12/90/275011290 IPVSOJZLFUZJAB-UHFFFAOYSA-N 0 280.24 CC 0.548 1 Bother mid CCBAMN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCNCC1 O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCNCC1 ZINC000067799875 01/12/89/275011289 IPVSOJZLFUZJAB-UHFFFAOYSA-N 1 280.24 CC 0.548 0 Bother ref CCBARO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+]CC1 Nc1ccn(CCN2C(=O)c3ccccc3C2=O)n1 ZINC000071792048 26/32/60/176263260 ZFDAUDLNVLPPHH-UHFFFAOYSA-N 0 256.265 CC 0.762 0 Anodyne ref CCAARN Nc1ccn(CCN2C(=O)c3ccccc3C2=O)n1 COC(=O)Cn1nc(Br)nc1Br ZINC000071978814 30/78/54/176307854 YHDKZDTYFKEFBU-UHFFFAOYSA-N 0 298.922 CC 0.976 0 Anodyne ref CCAARN COC(=O)Cn1nc(Br)nc1Br C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1 ZINC000071978887 30/77/93/176307793 VBYYXMZSPFFPDL-MRVPVSSYSA-N 0 294.267 CC 0.937 1 Bother mid CCBAMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1 C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1 ZINC000071978887 30/77/92/176307792 VBYYXMZSPFFPDL-MRVPVSSYSA-N 1 294.267 CC 0.937 0 Bother ref CCBARO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1 ZINC000071978888 30/77/72/176307772 VBYYXMZSPFFPDL-QMMMGPOBSA-N 0 294.267 CC 0.937 1 Bother mid CCBAMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1 C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1 ZINC000071978888 30/77/70/176307770 VBYYXMZSPFFPDL-QMMMGPOBSA-N 1 294.267 CC 0.937 0 Bother ref CCBARO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH2+]1 C[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071978923 95/95/01/388959501 GJESURAVBZIPGG-MRVPVSSYSA-N 0 294.267 CC 0.937 1 Bother mid CCBAMN C[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071978923 95/94/97/388959497 GJESURAVBZIPGG-MRVPVSSYSA-N 1 294.267 CC 0.937 0 Bother ref CCBARO C[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071978924 90/73/83/279907383 GJESURAVBZIPGG-QMMMGPOBSA-N 0 294.267 CC 0.937 1 Bother mid CCBAMN C[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071978924 90/73/80/279907380 GJESURAVBZIPGG-QMMMGPOBSA-N 1 294.267 CC 0.937 0 Bother ref CCBARO C[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccco1 ZINC000071979992 95/98/82/388959882 NVLQAYGMTUFSRB-JTQLQIEISA-N -1 294.307 CC 0.627 3 Anodyne high CCAAHM CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccco1 CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccco1 ZINC000071979992 95/98/80/388959880 NVLQAYGMTUFSRB-JTQLQIEISA-N 0 294.307 CC 0.627 0 Anodyne ref CCAARN C[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccco1 CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccco1 ZINC000071979993 95/95/56/388959556 NVLQAYGMTUFSRB-SNVBAGLBSA-N -1 294.307 CC 0.627 3 Anodyne high CCAAHM CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccco1 CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccco1 ZINC000071979993 95/95/51/388959551 NVLQAYGMTUFSRB-SNVBAGLBSA-N 0 294.307 CC 0.627 0 Anodyne ref CCAARN C[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccco1 Cc1cccnc1N1CCCN(S(C)(=O)=O)CC1 ZINC000073633238 97/20/67/278972067 MQTLAKONHIHBRA-UHFFFAOYSA-N 1 269.37 CC 0.862 1 Anodyne mid CCAAMO Cc1ccc[nH+]c1N1CCCN(S(C)(=O)=O)CC1 Cc1cccnc1N1CCCN(S(C)(=O)=O)CC1 ZINC000073633238 97/20/63/278972063 MQTLAKONHIHBRA-UHFFFAOYSA-N 0 269.37 CC 0.862 0 Anodyne ref CCAARN Cc1cccnc1N1CCCN(S(C)(=O)=O)CC1 COC(=O)C(C(=O)OC)c1ccc(OC)cc1C(=O)O ZINC000096298543 05/88/22/389058822 LHNXDXKWKKEONS-UHFFFAOYSA-N -1 282.248 CC 0.823 0 Anodyne ref CCABRM COC(=O)C(C(=O)OC)c1ccc(OC)cc1C(=O)[O-] COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cc1C(=O)O ZINC000096298544 05/87/78/389058778 WPLWCNRGSGEDSC-UHFFFAOYSA-N -1 297.219 CC 0.723 0 Bother ref CCBBRM COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cc1C(=O)[O-] CCOC(=O)C(=CNc1ncccn1)C(=O)OCC ZINC000100262560 65/72/58/349657258 CKTKOLMBPODIBB-UHFFFAOYSA-N 0 265.269 CC 0.899 0 Anodyne ref CCAARN CCOC(=O)C(C=Nc1ncccn1)C(=O)OCC CCOC(=O)C(=CNC1(C(N)=O)CCCC1)C(=O)OCC ZINC000100263035 71/03/51/185710351 RSLGRNKGMHROKF-UHFFFAOYSA-N 0 298.339 CC 0.384 0 Anodyne ref CCAARN CCOC(=O)C(=CNC1(C(N)=O)CCCC1)C(=O)OCC