Cn1c(N)cc(=O)n(C)c1=O ZINC000000105224 03/26/63/169032663 VFGRNTYELNYSKJ-UHFFFAOYSA-N 0 155.157 AA -1.334 0 Anodyne ref AAAARN Cn1c(N)cc(=O)n(C)c1=O Cn1c(=O)cc(N)[nH]c1=O ZINC000000330400 02/97/57/169029757 JGAVPFNFAUWIJY-UHFFFAOYSA-N 0 141.13 AA -1.344 0 Anodyne ref AAAARN Cn1c(=O)cc(N)[nH]c1=O in-vitro CN(C)n1c(N)cc(=O)[nH]c1=O ZINC000000330414 86/21/94/167862194 FVCASHTZDYPQDZ-UHFFFAOYSA-N 0 170.172 AA -1.684 0 Anodyne ref AAAARN CN(C)n1c(N)cc(=O)[nH]c1=O Cc1c(N)c(=O)n(C)c(=O)n1C ZINC000000330447 93/31/67/342933167 FDKLGFYAEDLCNA-UHFFFAOYSA-N 0 169.184 AA -1.025 0 Anodyne ref AAAARN Cc1c(N)c(=O)n(C)c(=O)n1C Cc1c(N)n(C)c(=O)n(C)c1=O ZINC000000330486 93/33/18/342933318 VRLQKUKTTHMBGG-UHFFFAOYSA-N 0 169.184 AA -1.025 0 Anodyne ref AAAARN Cc1c(N)n(C)c(=O)n(C)c1=O CN1CC(=O)N(C)CC1=O ZINC000000331663 93/37/03/342933703 PKDGRAULLDDTRN-UHFFFAOYSA-N 0 142.158 AA -1.083 0 Anodyne ref AAAARN CN1CC(=O)N(C)CC1=O OCC(CO)CC(CO)CO ZINC000000332917 27/55/19/351275519 PQFVJOFSQGFPRW-UHFFFAOYSA-N 0 164.201 AA -1.422 0 Anodyne ref AAAARN OCC(CO)CC(CO)CO NC(=O)c1c[n+]([O-])ccn1 ZINC000000333042 16/45/14/169164514 WWQPCELPPKZBJE-UHFFFAOYSA-N 0 139.114 AA -1.186 0 Anodyne ref AAAARN NC(=O)c1c[n+]([O-])ccn1 Cc1cc(=O)[nH]c(=O)n1CCO ZINC000000334794 93/38/58/342933858 XBELIOYNKVWGFG-UHFFFAOYSA-N 0 170.168 AA -1.163 0 Anodyne ref AAAARN Cc1cc(=O)[nH]c(=O)n1CCO Cn1c(CO)cc(=O)n(C)c1=O ZINC000000337097 03/37/42/169033742 IPYDXAQZAKKMPV-UHFFFAOYSA-N 0 170.168 AA -1.424 0 Anodyne ref AAAARN Cn1c(CO)cc(=O)n(C)c1=O CN(N)c1cc(=O)n(C)c(=O)n1C ZINC000000381774 93/51/09/342935109 AAGNSLIYEXHQKO-UHFFFAOYSA-N 0 184.199 AA -1.606 0 Anodyne ref AAAARN CN(N)c1cc(=O)n(C)c(=O)n1C Cc1[nH]c(=O)[nH]c(=O)c1N ZINC000000399478 69/71/26/168697126 FNSSATCDUXTALE-UHFFFAOYSA-N -1 141.13 AA -1.046 3 Anodyne high AAAAHM Cc1[nH]c(=O)[n-]c(=O)c1N Cc1[nH]c(=O)[nH]c(=O)c1N ZINC000000399478 69/71/23/168697123 FNSSATCDUXTALE-UHFFFAOYSA-N 0 141.13 AA -1.046 0 Anodyne ref AAAARN Cc1[nH]c(=O)[nH]c(=O)c1N CN1C(=O)N(C)C(=O)C(O)(O)C1=O ZINC000000967229 89/60/73/167896073 QYIATEHJKKPHTE-UHFFFAOYSA-N -1 188.139 AA -2.282 3 Anodyne high AAAAHM CN1C(=O)N(C)C(=O)C([O-])(O)C1=O CN1C(=O)N(C)C(=O)C(O)(O)C1=O ZINC000000967229 89/60/71/167896071 QYIATEHJKKPHTE-UHFFFAOYSA-N 0 188.139 AA -2.282 0 Anodyne ref AAAARN CN1C(=O)N(C)C(=O)C(O)(O)C1=O CC(=O)Nc1c(N)[nH]c(=O)[nH]c1=O ZINC000000967237 94/24/34/342942434 RJTOYKGWZKBHLX-UHFFFAOYSA-N -1 184.155 AA -1.396 1 Anodyne mid AAAAMM CC(=O)Nc1c(N)[nH]c(=O)[n-]c1=O CC(=O)Nc1c(N)[nH]c(=O)[nH]c1=O ZINC000000967237 94/24/32/342942432 RJTOYKGWZKBHLX-UHFFFAOYSA-N 0 184.155 AA -1.396 0 Anodyne ref AAAARN CC(=O)Nc1c(N)[nH]c(=O)[nH]c1=O Cn1c(=O)[nH]c(N)c(NC=O)c1=O ZINC000000967239 02/98/97/169029897 PFMKSQSGPSFNSJ-UHFFFAOYSA-N 0 184.155 AA -1.776 0 Anodyne ref AAAARN Cn1c(=O)[nH]c(N)c(NC=O)c1=O Cn1cc([N+](=O)[O-])c(=O)n(C)c1=O ZINC000000967242 04/37/86/169043786 SDLBIQNBDPOOPJ-UHFFFAOYSA-N 0 185.139 AA -1.008 0 Bother ref AABARN Cn1cc([N+](=O)[O-])c(=O)n(C)c1=O CNc1[nH]c(=O)[nH]c(=O)c1NC=O ZINC000000967255 06/29/59/168062959 YSGNSOWSYVUOMN-UHFFFAOYSA-N -1 184.155 AA -1.327 1 Anodyne mid AAAAMM CNc1[nH]c(=O)[n-]c(=O)c1NC=O CNc1[nH]c(=O)[nH]c(=O)c1NC=O ZINC000000967255 06/29/57/168062957 YSGNSOWSYVUOMN-UHFFFAOYSA-N 0 184.155 AA -1.327 0 Anodyne ref AAAARN CNc1[nH]c(=O)[nH]c(=O)c1NC=O Nc1cc(=O)[nH]c(=O)[nH]1 ZINC000000967278 28/37/16/169283716 LNDZXOWGUAIUBG-UHFFFAOYSA-N -1 127.103 AA -1.355 3 Anodyne high AAAAHM Nc1cc(=O)[n-]c(=O)[nH]1 Nc1cc(=O)[nH]c(=O)[nH]1 ZINC000000967278 28/37/14/169283714 LNDZXOWGUAIUBG-UHFFFAOYSA-N 0 127.103 AA -1.355 0 Anodyne ref AAAARN Nc1cc(=O)[nH]c(=O)[nH]1 NC(=O)c1nccnc1C(N)=O ZINC000000967329 94/23/63/342942363 TZMYZOQDDVSLJU-UHFFFAOYSA-N 0 166.14 AA -1.326 0 Anodyne ref AAAARN NC(=O)c1nccnc1C(N)=O NC(=O)NC(=O)c1c[nH]c(=O)[nH]c1=O ZINC000000967496 15/70/41/169157041 DBJUQUQWPSXNOK-UHFFFAOYSA-N -1 198.138 AA -2.128 3 Anodyne high AAAAHM NC(=O)NC(=O)c1c[nH]c(=O)[n-]c1=O NC(=O)NC(=O)c1c[nH]c(=O)[nH]c1=O ZINC000000967496 15/70/40/169157040 DBJUQUQWPSXNOK-UHFFFAOYSA-N 0 198.138 AA -2.128 0 Anodyne ref AAAARN NC(=O)NC(=O)c1c[nH]c(=O)[nH]c1=O Nc1n[nH]c(-c2n[nH]c(N)n2)n1 ZINC000001063069 30/34/56/169303456 SHHKWIJFVUHKCA-UHFFFAOYSA-N 0 166.148 AA -1.246 0 Anodyne ref AAAARN Nc1n[nH]c(-c2nc(N)n[nH]2)n1 O=C1CNC(=O)CN1 ZINC000001529518 37/88/27/169378827 BXRNXXXXHLBUKK-UHFFFAOYSA-N 0 114.104 AA -1.768 0 Anodyne ref AAAARN O=C1CNC(=O)CN1 in-vitro O=C1N=C(O)C(=O)C(=O)N1 ZINC000001631379 38/41/23/169384123 HIMXGTXNXJYFGB-UHFFFAOYSA-N 0 142.07 AA -1.238 2 Anodyne low AAAALN O=C1NC(=O)C(=O)C(=O)N1 in-man endogenous O=C1N=C(O)C(=O)C(=O)N1 ZINC000001631379 38/41/21/169384121 HIMXGTXNXJYFGB-UHFFFAOYSA-N -1 142.07 AA -1.238 0 Anodyne ref AAAARM O=C1[N-]C(=O)C(=O)C(=O)N1 in-man endogenous Nc1[nH]c(=O)[nH]c(=O)c1N ZINC000001666585 95/55/99/342955599 BBTNLADSUVOPPN-UHFFFAOYSA-N -1 142.118 AA -1.772 3 Anodyne high AAAAHM Nc1[nH]c(=O)[n-]c(=O)c1N in-vivo Nc1[nH]c(=O)[nH]c(=O)c1N ZINC000001666585 95/55/98/342955598 BBTNLADSUVOPPN-UHFFFAOYSA-N 0 142.118 AA -1.772 0 Anodyne ref AAAARN Nc1[nH]c(=O)[nH]c(=O)c1N in-vivo NC(=O)C(N)C(N)=O ZINC000001674132 14/66/40/169146640 GFQBSQXXHYLABK-UHFFFAOYSA-N 1 117.108 AA -2.716 2 Anodyne low AAAALO NC(=O)C([NH3+])C(N)=O in-vitro NC(=O)C(N)C(N)=O ZINC000001674132 14/66/39/169146639 GFQBSQXXHYLABK-UHFFFAOYSA-N 0 117.108 AA -2.716 0 Anodyne ref AAAARN NC(=O)C(N)C(N)=O in-vitro Nc1nc(=O)[nH]c(N)c1N ZINC000001677561 30/45/27/169304527 ZQBHGSSAKLGUBH-UHFFFAOYSA-N 0 141.134 AA -1.484 0 Anodyne ref AAAARN Nc1nc(=O)[nH]c(N)c1N NN=C1NCCN1 ZINC000001683858 23/35/90/169233590 WIPKZLIKOXLWCF-UHFFFAOYSA-N 1 100.125 AA -1.591 0 Mild ref AAEARO N[NH+]=C1NCCN1 O[C@H]1OCCO[C@H]1O ZINC000001688095 45/49/11/169454911 YLVACWCCJCZITJ-ZXZARUISSA-N 0 120.104 AA -1.33 0 Anodyne ref AAAARN O[C@H]1OCCO[C@H]1O O[C@@H]1OCCO[C@H]1O ZINC000001688096 44/81/22/169448122 YLVACWCCJCZITJ-QWWZWVQMSA-N 0 120.104 AA -1.33 0 Anodyne ref AAAARN O[C@@H]1OCCO[C@H]1O O[C@H]1OCCO[C@@H]1O ZINC000001688097 45/53/01/169455301 YLVACWCCJCZITJ-IMJSIDKUSA-N 0 120.104 AA -1.33 0 Anodyne ref AAAARN O[C@H]1OCCO[C@@H]1O Nc1cc(N)[nH]c(=O)n1 ZINC000001690281 28/81/29/169288129 OKSVBJJXPDBPKN-UHFFFAOYSA-N 0 126.119 AA -1.066 0 Anodyne ref AAAARN Nc1cc(N)[nH]c(=O)n1 O=CNCC(=O)O ZINC000001733657 41/15/01/574411501 UGJBHEZMOKVTIM-UHFFFAOYSA-N -1 103.077 AA -1.183 0 Anodyne ref AAAARM O=CNCC(=O)[O-] in-vitro endogenous Cc1nnc(N)n(N)c1=O ZINC000002022931 99/21/56/168992156 YIUAPQXIGBLZGS-UHFFFAOYSA-N 0 141.134 AA -1.757 0 Anodyne ref AAAARN Cc1nnc(N)n(N)c1=O Cn1c(=O)cc(NCCO)[nH]c1=O ZINC000002023476 02/95/12/169029512 XCJLDLYHOCIIBD-UHFFFAOYSA-N 0 185.183 AA -1.522 0 Anodyne ref AAAARN Cn1c(=O)cc(NCCO)[nH]c1=O Cn1c(NCCO)cc(=O)n(C)c1=O ZINC000002023479 03/45/19/169034519 XANWQZBIYRXADC-UHFFFAOYSA-N 0 199.21 AA -1.512 0 Anodyne ref AAAARN Cn1c(NCCO)cc(=O)n(C)c1=O Nc1cc(S(=O)(=O)O)[nH]c(=O)n1 ZINC000002023513 28/73/55/169287355 SOYQBNBKURMRAQ-UHFFFAOYSA-N -2 191.168 AA -1.401 3 Anodyne high AAAAHL Nc1cc(S(=O)(=O)[O-])[n-]c(=O)n1 Nc1cc(S(=O)(=O)O)[nH]c(=O)n1 ZINC000002023513 28/73/52/169287352 SOYQBNBKURMRAQ-UHFFFAOYSA-N -1 191.168 AA -1.401 0 Anodyne ref AAAARM Nc1cc(S(=O)(=O)[O-])[nH]c(=O)n1 NCCOc1nonc1N ZINC000002026502 19/17/49/169191749 QTPLKLPUKUNQNN-UHFFFAOYSA-N 1 144.134 AA -1.011 0 Anodyne ref AAAARO Nc1nonc1OCC[NH3+] O=C1COC(=O)CN1 ZINC000002028750 37/84/89/169378489 JMRZMIFDYMSZCB-UHFFFAOYSA-N 0 115.088 AA -1.341 0 Anodyne ref AAAARN O=C1COC(=O)CN1 Cn1c(C(=O)O)cc(=O)n(C)c1=O ZINC000002172610 03/12/34/169031234 ZXDYFTWNWCMEOS-UHFFFAOYSA-N -1 184.151 AA -1.218 0 Anodyne ref AAAARM Cn1c(C(=O)[O-])cc(=O)n(C)c1=O CN(C=O)c1c(N)[nH]c(=O)n(C)c1=O ZINC000002576758 97/85/03/342978503 NAFROSSUTOOOGG-UHFFFAOYSA-N 0 198.182 AA -1.752 0 Anodyne ref AAAARN CN(C=O)c1c(N)[nH]c(=O)n(C)c1=O in-vitro Cn1c(N)c([N+](=O)[O-])c(=O)[nH]c1=O ZINC000004085840 03/22/90/169032290 MIWHTOMZYBTGCT-UHFFFAOYSA-N 0 186.127 AA -1.436 1 Bother mid AABAMN Cn1c(N)c([N+](=O)[O-])c(=O)[nH]c1=O Cn1c(N)c([N+](=O)[O-])c(=O)[nH]c1=O ZINC000004085840 03/22/89/169032289 MIWHTOMZYBTGCT-UHFFFAOYSA-N -1 186.127 AA -1.436 0 Bother ref AABARM Cn1c(N)c([N+](=O)[O-])c(=O)[n-]c1=O Cn1c(N)nc(N)c([N+](=O)[O-])c1=O ZINC000004085847 03/37/55/169033755 RYXIJLNNEUQMRC-UHFFFAOYSA-N 0 185.143 AA -1.147 0 Bother ref AABARN Cn1c(N)nc(N)c([N+](=O)[O-])c1=O COn1c(N)c(N=O)c(=O)[nH]c1=O ZINC000004085861 29/06/68/168290668 OLCALDZFELHOAH-UHFFFAOYSA-N -1 186.127 AA -1.425 3 Anodyne high AAAAHM COn1c(N)c(N=O)c(=O)[n-]c1=O COn1c(N)c(N=O)c(=O)[nH]c1=O ZINC000004085861 29/06/65/168290665 OLCALDZFELHOAH-UHFFFAOYSA-N 0 186.127 AA -1.425 0 Anodyne ref AAAARN COn1c(N)c(N=O)c(=O)[nH]c1=O Nc1n[nH]c(N)n1 ZINC000004118774 30/33/66/169303366 PKWIYNIDEDLDCJ-UHFFFAOYSA-N 0 99.097 AA -1.031 0 Anodyne ref AAAARN Nc1n[nH]c(N)n1 in-vitro CNCC(=O)NCCOC ZINC000004218569 98/88/21/342988821 IAAQYBLYYCKZOI-UHFFFAOYSA-N 0 146.19 AA -1.032 3 Anodyne high AAAAHN CNCC(=O)NCCOC CNCC(=O)NCCOC ZINC000004218569 98/88/18/342988818 IAAQYBLYYCKZOI-UHFFFAOYSA-N 1 146.19 AA -1.032 0 Anodyne ref AAAARO C[NH2+]CC(=O)NCCOC COCCNC(=O)CN ZINC000004218734 16/45/69/168164569 XPQDNNPZEVSCNB-UHFFFAOYSA-N 0 132.163 AA -1.292 3 Anodyne high AAAAHN COCCNC(=O)CN COCCNC(=O)CN ZINC000004218734 16/45/68/168164568 XPQDNNPZEVSCNB-UHFFFAOYSA-N 1 132.163 AA -1.292 0 Anodyne ref AAAARO COCCNC(=O)C[NH3+] NNc1ncnc(NN)c1[N+](=O)[O-] ZINC000004791958 23/95/66/169239566 VCEOYUUKNWGAOT-UHFFFAOYSA-N -1 185.147 AA -1.044 3 Bother high AABAHM NN=c1nc[n-]c(NN)c1[N+](=O)[O-] NNc1ncnc(NN)c1[N+](=O)[O-] ZINC000004791958 23/95/64/169239564 VCEOYUUKNWGAOT-UHFFFAOYSA-N 0 185.147 AA -1.044 0 Bother ref AABARN NN=c1nc[nH]c(NN)c1[N+](=O)[O-] O=C1NC(=O)C(CO)(CO)S1 ZINC000005380640 35/06/50/207350650 XNYJWZMBJIYSED-UHFFFAOYSA-N 0 177.181 AA -1.307 1 Anodyne mid AAAAMN O=C1NC(=O)C(CO)(CO)S1 O=C1NC(=O)C(CO)(CO)S1 ZINC000005380640 35/06/44/207350644 XNYJWZMBJIYSED-UHFFFAOYSA-N -1 177.181 AA -1.307 0 Anodyne ref AAAARM O=C1[N-]C(=O)C(CO)(CO)S1 NC(=O)c1nonc1N ZINC000005670118 10/50/62/527105062 NQUIGUVMOCOCDD-UHFFFAOYSA-N 0 128.091 AA -1.249 0 Anodyne ref AAAARN NC(=O)c1nonc1N NNc1ncc([N+](=O)[O-])c(NN)n1 ZINC000005758200 23/82/55/169238255 SSZAFSKNVPOERJ-UHFFFAOYSA-N 1 185.147 AA -1.044 2 Bother low AABALO NNc1ncc([N+](=O)[O-])c(NN)[nH+]1 NNc1ncc([N+](=O)[O-])c(NN)n1 ZINC000005758200 23/82/54/169238254 SSZAFSKNVPOERJ-UHFFFAOYSA-N 0 185.147 AA -1.044 0 Bother ref AABARN NN=c1nc(NN)[nH]cc1[N+](=O)[O-] CS(=O)(=O)c1n[nH]c(N)n1 ZINC000008238045 29/52/47/168295247 QLBGRINOCGRGMD-UHFFFAOYSA-N 0 162.174 AA -1.21 2 Anodyne low AAAALN CS(=O)(=O)c1nc(N)n[nH]1 CS(=O)(=O)c1n[nH]c(N)n1 ZINC000008238045 29/52/44/168295244 QLBGRINOCGRGMD-UHFFFAOYSA-N -1 162.174 AA -1.21 1 Anodyne mid AAAAMM CS(=O)(=O)c1n[n-]c(N)n1 CS(=O)(=O)c1n[nH]c(N)n1 ZINC000008238045 29/52/42/168295242 QLBGRINOCGRGMD-UHFFFAOYSA-N 0 162.174 AA -1.21 1 Anodyne mid AAAAMN CS(=O)(=O)c1n[nH]c(N)n1 CS(=O)(=O)c1n[nH]c(N)n1 ZINC000008238045 29/52/41/168295241 QLBGRINOCGRGMD-UHFFFAOYSA-N -1 162.174 AA -1.21 1 Anodyne mid AAAAMM CS(=O)(=O)c1nc(N)n[n-]1 CS(=O)(=O)c1n[nH]c(N)n1 ZINC000008238045 29/52/39/168295239 QLBGRINOCGRGMD-UHFFFAOYSA-N -1 162.174 AA -1.21 0 Anodyne ref AAAARM CS(=O)(=O)c1nnc(N)[n-]1 Nc1cc(=O)[nH]c(N)n1 ZINC000008602956 28/43/54/169284354 SWELIMKTDYHAOY-UHFFFAOYSA-N -1 126.119 AA -1.066 3 Anodyne high AAAAHM Nc1cc(=O)[n-]c(N)n1 world Nc1cc(=O)[nH]c(N)n1 ZINC000008602956 28/43/52/169284352 SWELIMKTDYHAOY-UHFFFAOYSA-N 0 126.119 AA -1.066 0 Anodyne ref AAAARN Nc1cc(=O)nc(N)[nH]1 world NC(=O)c1cnc[nH]c1=O ZINC000008672865 02/20/54/171022054 ZOSXLRUOBVSFQV-UHFFFAOYSA-N -1 139.114 AA -1.131 3 Anodyne high AAAAHM NC(=O)c1cnc[n-]c1=O NC(=O)c1cnc[nH]c1=O ZINC000008672865 02/20/48/171022048 ZOSXLRUOBVSFQV-UHFFFAOYSA-N 0 139.114 AA -1.131 0 Anodyne ref AAAARN NC(=O)c1cnc[nH]c1=O NCC(=O)N1CCOCC1 ZINC000008700941 17/45/11/169174511 IKNPVOCSVYGOLC-UHFFFAOYSA-N 0 144.174 AA -1.196 3 Anodyne high AAAAHN NCC(=O)N1CCOCC1 NCC(=O)N1CCOCC1 ZINC000008700941 17/45/08/169174508 IKNPVOCSVYGOLC-UHFFFAOYSA-N 1 144.174 AA -1.196 0 Anodyne ref AAAARO [NH3+]CC(=O)N1CCOCC1 O=C(CO)N1CCOCC1 ZINC000011638841 32/03/02/169320302 PHCSTEJVICOGEJ-UHFFFAOYSA-N 0 145.158 AA -1.163 0 Anodyne ref AAAARN O=C(CO)N1CCOCC1 Cc1n[nH]c(=O)[nH]c1=O ZINC000011666592 02/40/61/343024061 XZWMZFQOHTWGQE-UHFFFAOYSA-N 0 127.103 AA -1.233 2 Anodyne low AAAALN Cc1n[nH]c(=O)[nH]c1=O in-vitro Cc1n[nH]c(=O)[nH]c1=O ZINC000011666592 02/40/60/343024060 XZWMZFQOHTWGQE-UHFFFAOYSA-N -1 127.103 AA -1.233 0 Anodyne ref AAAARM Cc1n[nH]c(=O)[n-]c1=O in-vitro O=c1[nH][nH]c(=O)c2[nH]cnc12 ZINC000012428239 02/54/06/171025406 GOKGXTNRIXSKPF-UHFFFAOYSA-N -2 152.113 AA -1.061 3 Anodyne high AAAAHL O=c1[nH][n-]c([O-])c2ncnc1-2 O=c1[nH][nH]c(=O)c2[nH]cnc12 ZINC000012428239 02/54/04/171025404 GOKGXTNRIXSKPF-UHFFFAOYSA-N -1 152.113 AA -1.061 1 Anodyne mid AAAAMM O=c1[nH][n-]c(O)c2ncnc1-2 O=c1[nH][nH]c(=O)c2[nH]cnc12 ZINC000012428239 02/54/02/171025402 GOKGXTNRIXSKPF-UHFFFAOYSA-N -1 152.113 AA -1.061 0 Anodyne ref AAAARM O=c1[n-][nH]c(=O)c2[nH]cnc12 CN(/C=C1/C(=O)CNC1=O)CCO ZINC000013572036 81/06/40/167810640 WZFCSEVBBUMSFX-WAYWQWQTSA-N 0 184.195 AA -1.507 0 Mild ref AAEARN CN(C=C1C(=O)CNC1=O)CCO NN[C@H]1CCS(=O)(=O)C1 ZINC000019167748 23/74/39/169237439 DBBOTJJFLMUEIN-BYPYZUCNSA-N 0 150.203 AA -1.363 0 Anodyne ref AAAARN NN[C@H]1CCS(=O)(=O)C1 NN[C@@H]1CCS(=O)(=O)C1 ZINC000019167751 23/73/95/169237395 DBBOTJJFLMUEIN-SCSAIBSYSA-N 0 150.203 AA -1.363 0 Anodyne ref AAAARN NN[C@@H]1CCS(=O)(=O)C1 Nc1nc(=O)[nH]c(N)c1NC=O ZINC000025491813 30/46/10/169304610 AHXJACDFUOFICJ-UHFFFAOYSA-N -1 169.144 AA -1.497 3 Anodyne high AAAAHM Nc1nc(=O)[n-]c(N)c1NC=O Nc1nc(=O)[nH]c(N)c1NC=O ZINC000025491813 30/46/09/169304609 AHXJACDFUOFICJ-UHFFFAOYSA-N 0 169.144 AA -1.497 0 Anodyne ref AAAARN Nc1nc(=O)[nH]c(N)c1NC=O Cn1c(N)cc(N)nc1=O ZINC000035576747 03/40/25/169034025 LYWZEGBIVCTCHO-UHFFFAOYSA-N 0 140.146 AA -1.055 0 Anodyne ref AAAARN Cn1c(N)cc(N)nc1=O CNc1nc(=O)[nH]c(N)c1N ZINC000039136906 06/96/33/168069633 FPPWQJXBMJWEOE-UHFFFAOYSA-N 0 155.161 AA -1.024 0 Anodyne ref AAAARN CNc1[nH]c(=O)nc(N)c1N C1N2CN3CN1CN(C2)C3 ZINC000086040406 10/97/24/166109724 VKYKSIONXSXAKP-UHFFFAOYSA-N 0 140.19 AA -1.02 0 Anodyne ref AAAARN C1N2CN3CN1CN(C2)C3 fda endogenous N/C(=N\O)c1nonc1N ZINC000095845644 13/29/85/169132985 DNFUTAVRGAVUKE-UHFFFAOYSA-N 0 143.106 AA -1.254 2 Mild low AAEALN N/C(=N\O)c1nonc1N N/C(=N\O)c1nonc1N ZINC000095845644 13/29/84/169132984 DNFUTAVRGAVUKE-UHFFFAOYSA-N 0 143.106 AA -1.254 0 Mild ref AAEARN N/C(=N\[O-])c1nonc1N Nc1nc2n[nH]nc2c(=O)[nH]1 ZINC000096321491 30/78/70/169307870 LPXQRXLUHJKZIE-UHFFFAOYSA-N -1 152.117 AA -1.377 3 Anodyne high AAAAHM Nc1nc2n[n-]nc2c(=O)[nH]1 metabolite in-vivo Nc1nc2n[nH]nc2c(=O)[nH]1 ZINC000096321491 30/78/68/169307868 LPXQRXLUHJKZIE-UHFFFAOYSA-N -1 152.117 AA -1.377 3 Anodyne high AAAAHM Nc1nc2[n-]nnc2c(=O)[nH]1 metabolite in-vivo Nc1nc2n[nH]nc2c(=O)[nH]1 ZINC000096321491 30/78/67/169307867 LPXQRXLUHJKZIE-UHFFFAOYSA-N -1 152.117 AA -1.377 3 Anodyne high AAAAHM Nc1nc2nn[n-]c2c(=O)[nH]1 metabolite in-vivo Nc1nc2n[nH]nc2c(=O)[nH]1 ZINC000096321491 30/78/65/169307865 LPXQRXLUHJKZIE-UHFFFAOYSA-N 0 152.117 AA -1.377 0 Anodyne ref AAAARN Nc1nc2n[nH]nc2c(=O)[nH]1 metabolite in-vivo NC(=O)NC(=O)/C=C\C(=O)O ZINC000100023075 15/61/03/169156103 GWGLGTKSTGSWGQ-UPHRSURJSA-N -1 158.113 AA -1.178 0 Anodyne ref AAAARM NC(=O)NC(=O)/C=C\C(=O)[O-] O=C1CNC(=O)/C1=C\NCCCO ZINC000100466082 37/75/21/169377521 ROACLANLKSXMAQ-XQRVVYSFSA-N 0 184.195 AA -1.459 0 Mild ref AAEARN O=C1CNC(=O)C1=CNCCCO