Cc1ncc([N+](=O)[O-])n1C ZINC000000001307 92/37/38/342923738 IBXPYPUJPLLOIN-UHFFFAOYSA-N 0 141.13 AC 0.637 0 Bother ref ACBARN Cc1ncc([N+](=O)[O-])n1C in-man NCc1cccnc1 ZINC000000001944 22/63/45/169226345 HDOUGSFASVGDCS-UHFFFAOYSA-N 0 108.144 AC 0.54 3 Anodyne high ACAAHN NCc1cccnc1 world NCc1cccnc1 ZINC000000001944 22/63/43/169226343 HDOUGSFASVGDCS-UHFFFAOYSA-N 1 108.144 AC 0.54 0 Anodyne ref ACAARO [NH3+]Cc1cccnc1 world Cc1c(O)c(=O)ccn1C ZINC000000006226 92/36/86/342923686 TZXKOCQBRNJULO-UHFFFAOYSA-N 0 139.154 AC 0.399 0 Anodyne ref ACAARN Cc1c(O)c(=O)ccn1C fda Cc1cc(C)nc(N2CCNCC2)n1 ZINC000000010719 17/77/63/132177763 QLTXFTSBONWMPM-UHFFFAOYSA-N 0 192.266 AC 0.503 3 Anodyne high ACAAHN Cc1cc(C)nc(N2CCNCC2)n1 Cc1cc(C)nc(N2CCNCC2)n1 ZINC000000010719 17/77/62/132177762 QLTXFTSBONWMPM-UHFFFAOYSA-N 0 192.266 AC 0.503 0 Anodyne ref ACAARN Cc1cc(C)nc(N2CC[NH2+]CC2)n1 Cn1ncc(Cl)c1C(=O)O ZINC000000031786 06/48/51/169064851 SOCMTMNWGCJGLA-UHFFFAOYSA-N -1 160.56 AC 0.772 0 Anodyne ref ACAARM Cn1ncc(Cl)c1C(=O)[O-] CNC[C@H](O)c1ccc(O)c(O)c1 ZINC000000039089 01/32/76/168013276 UCTWMZQNUQWSLP-VIFPVBQESA-N 1 183.207 AC 0.351 0 Clean ref ACCARO C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 fda endogenous Cc1n[nH]c(C)c1[N+](=O)[O-] ZINC000000049624 92/49/90/342924990 OFQCJVVJRNPSET-UHFFFAOYSA-N 0 141.13 AC 0.935 0 Bother ref ACBARN Cc1n[nH]c(C)c1[N+](=O)[O-] Nc1ccc(C(=O)O)c([N+](=O)[O-])c1 ZINC000000052613 29/12/41/169291241 SAJYSJVBNGUWJK-UHFFFAOYSA-N -1 182.135 AC 0.875 0 Bother ref ACBARM Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 Cc1cc(C)n(-c2ccc(O)nn2)n1 ZINC000000054843 92/50/05/342925005 BZPBXAFQGVLSFI-UHFFFAOYSA-N 0 190.206 AC 0.985 0 Anodyne ref ACAARN Cc1cc(C)n(-c2ccc(=O)[nH]n2)n1 NC[C@H](O)c1ccc(O)c(O)c1 ZINC000000057624 21/42/26/169214226 SFLSHLFXELFNJZ-QMMMGPOBSA-N 1 169.18 AC 0.09 0 Clean ref ACCARO [NH3+]C[C@H](O)c1ccc(O)c(O)c1 fda endogenous O=C(O)CCC(=O)Nc1cccnc1 ZINC000000072895 92/59/12/342925912 CRCDHMGBWOILNF-UHFFFAOYSA-N -1 194.19 AC 0.885 0 Anodyne ref ACAARM O=C([O-])CCC(=O)Nc1cccnc1 CCOC(=O)c1cnn(C)c1N ZINC000000079732 37/52/22/167375222 MEUSJJFWVKBUFP-UHFFFAOYSA-N 0 169.184 AC 0.179 0 Anodyne ref ACAARN CCOC(=O)c1cnn(C)c1N CC1=CC(=O)C=CC1=O ZINC000000080829 92/58/11/342925811 VTWDKFNVVLAELH-UHFFFAOYSA-N 0 122.123 AC 0.641 0 Mild ref ACEARN CC1=CC(=O)C=CC1=O in-vitro metabolite Nc1cc([N+](=O)[O-])ccc1C(=O)O ZINC000000088431 28/86/33/169288633 UEALKTCRMBVTFN-UHFFFAOYSA-N -1 182.135 AC 0.875 0 Bother ref ACBARM Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] in-vitro COc1ccc(NN)cc1 ZINC000000088604 92/65/39/342926539 PVRSIFAEUCUJPK-UHFFFAOYSA-N 0 138.17 AC 0.981 0 Anodyne ref ACAARN COc1ccc(NN)cc1 O=C1COc2ccc(C(=O)O)cc2N1 ZINC000000091923 37/96/90/169379690 CIYUDMUBYRVMLP-UHFFFAOYSA-N -1 193.158 AC 0.716 0 Anodyne ref ACAARM O=C1COc2ccc(C(=O)[O-])cc2N1 Cn1cnc2ccc(N)cc2c1=O ZINC000000091925 05/78/64/169057864 PKPUWVULEUYWLR-UHFFFAOYSA-N 0 175.191 AC 0.516 0 Anodyne ref ACAARN Cn1cnc2ccc(N)cc2c1=O N#CCN1C(=O)c2ccccc2C1=O ZINC000000097021 09/64/45/169096445 KJTIDLYAIIARFO-UHFFFAOYSA-N 0 186.17 AC 0.806 0 Mild ref ACEARN N#CCN1C(=O)c2ccccc2C1=O CCOC(=O)C1=C(C)NC(=O)NC1 ZINC000000101724 32/32/46/167323246 DIDVRNLWJBGGQJ-UHFFFAOYSA-N 0 184.195 AC 0.136 0 Anodyne ref ACAARN CCOC(=O)C1=C(C)NC(=O)NC1 CCOC(=O)c1c(C)noc1N ZINC000000108211 36/70/01/167367001 ULIKRPZEQZFBPS-UHFFFAOYSA-N 0 170.168 AC 0.742 0 Anodyne ref ACAARN CCOC(=O)c1c(C)noc1N Cc1noc(C)c1C(=O)O ZINC000000112526 92/67/41/342926741 IJEUISLJVBUNRE-UHFFFAOYSA-N -1 141.126 AC 0.99 0 Anodyne ref ACAARM Cc1noc(C)c1C(=O)[O-] Cc1ncc([N+](=O)[O-])n1CCO ZINC000000113442 96/78/54/168967854 VAOCPAMSLUNLGC-UHFFFAOYSA-N 0 171.156 AC 0.092 0 Bother ref ACBARN Cc1ncc([N+](=O)[O-])n1CCO fda Nc1ccc2c(c1)COC2=O ZINC000000122281 29/47/04/169294704 ISMUWQMUWFPFBZ-UHFFFAOYSA-N 0 149.149 AC 0.939 0 Anodyne ref ACAARN Nc1ccc2c(c1)COC2=O O=C(O)c1cc(=O)cc(C(=O)O)o1 ZINC000000125011 35/57/53/169355753 PBAYDYUZOSNJGU-UHFFFAOYSA-N -2 184.103 AC 0.036 0 Anodyne ref ACAARL O=C([O-])c1cc(=O)cc(C(=O)[O-])o1 in-vitro metabolite Cc1nn(CC(=O)O)c(C)c1[N+](=O)[O-] ZINC000000126525 92/71/98/342927198 BFNTYPOJGJVSTK-UHFFFAOYSA-N -1 199.166 AC 0.493 0 Bother ref ACBARM Cc1nn(CC(=O)[O-])c(C)c1[N+](=O)[O-] O=C(O)c1ccccc1-c1nnn[nH]1 ZINC000000129384 92/77/41/342927741 QRKJBXMXOAQYEC-UHFFFAOYSA-N -2 190.162 AC 0.565 3 Anodyne high ACAAHL O=C([O-])c1ccccc1-c1nn[n-]n1 O=C(O)c1ccccc1-c1nnn[nH]1 ZINC000000129384 92/77/39/342927739 QRKJBXMXOAQYEC-UHFFFAOYSA-N -2 190.162 AC 0.565 3 Anodyne high ACAAHL O=C([O-])c1ccccc1-c1nnn[n-]1 O=C(O)c1ccccc1-c1nnn[nH]1 ZINC000000129384 92/77/37/342927737 QRKJBXMXOAQYEC-UHFFFAOYSA-N -1 190.162 AC 0.565 0 Anodyne ref ACAARM O=C([O-])c1ccccc1-c1nn[nH]n1 COc1cc(OC)nc(N)n1 ZINC000000132738 23/91/77/168239177 LVFRCHIUUKWBLR-UHFFFAOYSA-N 0 155.157 AC 0.076 0 Anodyne ref ACAARN COc1cc(OC)nc(N)n1 in-vitro Cc1cc(C)n(C)c(=O)c1C#N ZINC000000132835 74/72/20/168747220 YHNFRZWVZUMYEJ-UHFFFAOYSA-N 0 162.192 AC 0.874 0 Mild ref ACEARN Cc1cc(C)n(C)c(=O)c1C#N Cc1nc2ccc(F)cc2c(=O)n1N ZINC000000143986 92/82/18/342928218 VDDWAGDCXKFEOR-UHFFFAOYSA-N 0 193.181 AC 0.558 0 Anodyne ref ACAARN Cc1nc2ccc(F)cc2c(=O)n1N Nc1nnc([C@@H]2CCCO2)s1 ZINC000000147187 31/08/23/169310823 OPDRNIZRTJOIEJ-BYPYZUCNSA-N 0 171.225 AC 0.972 0 Anodyne ref ACAARN Nc1nnc([C@@H]2CCCO2)s1 Nc1nnc([C@H]2CCCO2)s1 ZINC000000147188 31/08/06/169310806 OPDRNIZRTJOIEJ-SCSAIBSYSA-N 0 171.225 AC 0.972 0 Anodyne ref ACAARN Nc1nnc([C@H]2CCCO2)s1 CC(C)(C)N1C[C@@H](C(=O)O)CC1=O ZINC000000151460 36/02/57/166360257 VDUOOJKMVVKJKA-LURJTMIESA-N -1 185.223 AC 0.718 0 Anodyne ref ACAARM CC(C)(C)N1C[C@@H](C(=O)[O-])CC1=O CC(C)(C)N1C[C@H](C(=O)O)CC1=O ZINC000000151461 36/12/41/166361241 VDUOOJKMVVKJKA-ZCFIWIBFSA-N -1 185.223 AC 0.718 0 Anodyne ref ACAARM CC(C)(C)N1C[C@H](C(=O)[O-])CC1=O NC(=O)c1ccnc(Cl)c1 ZINC000000154099 92/86/10/342928610 DEMJOLRJLACBRX-UHFFFAOYSA-N 0 156.572 AC 0.834 0 Anodyne ref ACAARN NC(=O)c1ccnc(Cl)c1 N=C(N)c1ccc(N)cc1 ZINC000000156390 14/16/66/169141666 WPANETAWYGDRLL-UHFFFAOYSA-N 1 135.17 AC 0.553 0 Anodyne ref ACAARO NC(=[NH2+])c1ccc(N)cc1 in-vitro O=C(O)[C@H]1CCCCN1 ZINC000000157014 35/21/39/169352139 HXEACLLIILLPRG-RXMQYKEDSA-N 0 129.159 AC 0.213 0 Anodyne ref ACAARN O=C([O-])[C@H]1CCCC[NH2+]1 in-man endogenous O=C(O)[C@@H]1CCCCN1 ZINC000000157015 34/66/33/169346633 HXEACLLIILLPRG-YFKPBYRVSA-N 0 129.159 AC 0.213 0 Anodyne ref ACAARN O=C([O-])[C@@H]1CCCC[NH2+]1 in-man endogenous Nc1cc(C(=O)O)ccc1O ZINC000000157172 28/56/64/169285664 MRBKRZAPGUCWOS-UHFFFAOYSA-N -1 153.137 AC 0.673 0 Anodyne ref ACAARM Nc1cc(C(=O)[O-])ccc1O in-vitro CN(C)CCCC(=O)O ZINC000000157327 83/26/76/167832676 OXOWTLDONRGYOT-UHFFFAOYSA-N 0 131.175 AC 0.413 0 Anodyne ref ACAARN C[NH+](C)CCCC(=O)[O-] Oc1ccccc1N1CCNCC1 ZINC000000157416 17/82/02/132178202 UORNTHBBLYBAJJ-UHFFFAOYSA-N 0 178.235 AC 0.802 3 Anodyne high ACAAHN Oc1ccccc1N1CCNCC1 in-vivo Oc1ccccc1N1CCNCC1 ZINC000000157416 17/81/98/132178198 UORNTHBBLYBAJJ-UHFFFAOYSA-N 1 178.235 AC 0.802 0 Anodyne ref ACAARO Oc1ccccc1N1CC[NH2+]CC1 in-vivo O=C1NC(=O)c2ccccc21 ZINC000000157623 38/48/92/169384892 XKJCHHZQLQNZHY-UHFFFAOYSA-N -1 147.133 AC 0.57 3 Anodyne high ACAAHM O=C1[N-]C(=O)c2ccccc21 in-vitro O=C1NC(=O)c2ccccc21 ZINC000000157623 38/48/91/169384891 XKJCHHZQLQNZHY-UHFFFAOYSA-N 0 147.133 AC 0.57 0 Anodyne ref ACAARN O=C1NC(=O)c2ccccc21 in-vitro Cc1nc([N+](=O)[O-])cn1C ZINC000000157733 95/27/16/168952716 YJJBSMOKINSQQF-UHFFFAOYSA-N 0 141.13 AC 0.637 0 Bother ref ACBARN Cc1nc([N+](=O)[O-])cn1C Cn1cccc1CN ZINC000000158567 04/97/67/169049767 GGCBARJYVAPZJQ-UHFFFAOYSA-N 0 110.16 AC 0.484 3 Anodyne high ACAAHN Cn1cccc1CN in-vitro Cn1cccc1CN ZINC000000158567 04/97/66/169049766 GGCBARJYVAPZJQ-UHFFFAOYSA-N 1 110.16 AC 0.484 0 Anodyne ref ACAARO Cn1cccc1C[NH3+] in-vitro O=Cc1cccnc1 ZINC000000158588 27/17/42/351271742 QJZUKDFHGGYHMC-UHFFFAOYSA-N 0 107.112 AC 0.894 0 Anodyne ref ACAARN O=Cc1cccnc1 in-vitro NCc1ccncc1 ZINC000000158598 22/63/85/169226385 TXQWFIVRZNOPCK-UHFFFAOYSA-N 1 108.144 AC 0.54 0 Anodyne ref ACAARO [NH3+]Cc1ccncc1 in-vitro O=C(O)c1ccc[nH]1 ZINC000000158648 92/97/51/342929751 WRHZVMBBRYBTKZ-UHFFFAOYSA-N -1 111.1 AC 0.713 0 Anodyne ref ACAARM O=C([O-])c1ccc[nH]1 in-man endogenous Cc1cc(C(=O)O)no1 ZINC000000158679 92/97/60/342929760 BNMPIJWVMVNSRD-UHFFFAOYSA-N -1 127.099 AC 0.681 0 Anodyne ref ACAARM Cc1cc(C(=O)[O-])no1 in-vitro CC(=O)c1cnccn1 ZINC000000163730 41/09/56/574410956 DBZAKQWXICEWNW-UHFFFAOYSA-N 0 122.127 AC 0.679 0 Anodyne ref ACAARN CC(=O)c1cnccn1 in-man endogenous Nc1ccc2c(c1)OCO2 ZINC000000164370 29/47/33/169294733 XGNXYCFREOZBOL-UHFFFAOYSA-N 0 137.138 AC 0.998 0 Anodyne ref ACAARN Nc1ccc2c(c1)OCO2 NCCc1ccccn1 ZINC000000164395 19/78/71/169197871 XPQIPUZPSLAZDV-UHFFFAOYSA-N 1 122.171 AC 0.583 0 Anodyne ref ACAARO [NH3+]CCc1ccccn1 investigational N#Cc1cnccn1 ZINC000000164542 13/02/64/169130264 PMSVVUSIPKHUMT-UHFFFAOYSA-N 0 105.1 AC 0.348 0 Mild ref ACEARN N#Cc1cnccn1 in-vitro Cc1ncc(C#N)c(N)n1 ZINC000000165358 93/08/96/342930896 YBPNIILOUYAGIF-UHFFFAOYSA-N 0 134.142 AC 0.239 0 Mild ref ACEARN Cc1ncc(C#N)c(N)n1 in-vitro COc1ncccc1N ZINC000000166871 28/90/71/168289071 YXFAOWYMDGUFIQ-UHFFFAOYSA-N 0 124.143 AC 0.672 0 Anodyne ref ACAARN COc1ncccc1N O=C(O)c1ccc(-n2cccn2)nc1 ZINC000000168240 35/74/22/169357422 QWFKXYLAKWFQLF-UHFFFAOYSA-N -1 189.174 AC 0.965 0 Anodyne ref ACAARM O=C([O-])c1ccc(-n2cccn2)nc1 Nc1n[nH]c2ncccc12 ZINC000000168464 30/33/04/169303304 LUAQTQAFUORQHV-UHFFFAOYSA-N 0 134.142 AC 0.54 1 Anodyne mid ACAAMN Nc1[nH]nc2ncccc12 in-vitro Nc1n[nH]c2ncccc12 ZINC000000168464 30/33/03/169303303 LUAQTQAFUORQHV-UHFFFAOYSA-N 0 134.142 AC 0.54 0 Anodyne ref ACAARN Nc1n[nH]c2ncccc12 in-vitro Nc1noc2ncccc12 ZINC000000168472 31/17/91/169311791 NIHLEQFZWNKMEY-UHFFFAOYSA-N 0 135.126 AC 0.805 0 Anodyne ref ACAARN Nc1noc2ncccc12 Cc1cc(C=O)c(C)n1-n1cnnc1 ZINC000000169534 93/08/90/342930890 PXZWZLYLNTZEBR-UHFFFAOYSA-N 0 190.206 AC 0.82 0 Anodyne ref ACAARN Cc1cc(C=O)c(C)n1-n1cnnc1 O=C(O)CCC1=NNC(=O)CC1 ZINC000000180523 33/74/00/169337400 BDGYTUXXYSPFCF-UHFFFAOYSA-N -1 170.168 AC 0.117 0 Anodyne ref ACAARM O=C([O-])CCC1=NNC(=O)CC1 Cc1cc(N)n2nc(C)cc2n1 ZINC000000208676 93/16/75/342931675 PTDZZLRAEVFJCM-UHFFFAOYSA-N 0 162.196 AC 0.928 0 Anodyne ref ACAARN Cc1cc(N)n2nc(C)cc2n1 NCCc1ccncc1 ZINC000000215300 19/94/21/169199421 IDLHTECVNDEOIY-UHFFFAOYSA-N 1 122.171 AC 0.583 0 Anodyne ref ACAARO [NH3+]CCc1ccncc1 O=C(O)c1cnn(-c2ccccc2)n1 ZINC000000234687 36/04/59/169360459 MXZFAZWAEXCZTR-UHFFFAOYSA-N -1 189.174 AC 0.965 0 Anodyne ref ACAARM O=C([O-])c1cnn(-c2ccccc2)n1 O=C(c1ccccc1)N1CCNCC1 ZINC000000235748 36/27/49/169362749 VUNXBQRNMNVUMV-UHFFFAOYSA-N 0 190.246 AC 0.732 1 Anodyne mid ACAAMN O=C(c1ccccc1)N1CCNCC1 O=C(c1ccccc1)N1CCNCC1 ZINC000000235748 36/27/47/169362747 VUNXBQRNMNVUMV-UHFFFAOYSA-N 1 190.246 AC 0.732 0 Anodyne ref ACAARO O=C(c1ccccc1)N1CC[NH2+]CC1 Nc1nnnn1Cc1ccccc1 ZINC000000247141 31/15/07/169311507 CGGBUAWMFFPBOD-UHFFFAOYSA-N 0 175.195 AC 0.304 0 Anodyne ref ACAARN Nc1nnnn1Cc1ccccc1 COc1cc(N)ccc1-n1cnnn1 ZINC000000269577 23/81/58/168238158 TUPYLXVIGMMVPZ-UHFFFAOYSA-N 0 191.194 AC 0.253 0 Anodyne ref ACAARN COc1cc(N)ccc1-n1cnnn1 COC(=O)CCc1csc(N)n1 ZINC000000273627 08/89/58/168088958 JWDGXHZFNYKFGE-UHFFFAOYSA-N 0 186.236 AC 0.831 0 Anodyne ref ACAARN COC(=O)CCc1csc(N)n1 COc1ccc(C(N)=O)cc1N ZINC000000296138 24/67/44/168246744 INCJNDAQNPWMPZ-UHFFFAOYSA-N 0 166.18 AC 0.376 0 Anodyne ref ACAARN COc1ccc(C(N)=O)cc1N CN(C)c1ncc(C=O)cn1 ZINC000000299228 99/37/57/170993757 XBYXYDVSCMMJDT-UHFFFAOYSA-N 0 151.169 AC 0.355 0 Anodyne ref ACAARN CN(C)c1ncc(C=O)cn1 CC1(C)CN=C(N2CCNCC2)S1 ZINC000000333023 93/36/34/342933634 BKUDSGWZPKYESY-UHFFFAOYSA-N 0 199.323 AC 0.773 3 Anodyne high ACAAHN CC1(C)CN=C(N2CCNCC2)S1 CC1(C)CN=C(N2CCNCC2)S1 ZINC000000333023 93/36/33/342933633 BKUDSGWZPKYESY-UHFFFAOYSA-N 0 199.323 AC 0.773 2 Anodyne low ACAALN CC1(C)C[NH+]=C(N2CC[NH2+]CC2)S1 CC1(C)CN=C(N2CCNCC2)S1 ZINC000000333023 93/36/31/342933631 BKUDSGWZPKYESY-UHFFFAOYSA-N 2 199.323 AC 0.773 0 Anodyne ref ACAARP CC1(C)CN=C(N2CC[NH2+]CC2)S1 Nc1cccc(N)n1 ZINC000000333587 29/71/71/169297171 VHNQIURBCCNWDN-UHFFFAOYSA-N 0 109.132 AC 0.246 3 Anodyne high ACAAHN Nc1cccc(N)n1 in-vitro Nc1cccc(N)n1 ZINC000000333587 29/71/69/169297169 VHNQIURBCCNWDN-UHFFFAOYSA-N 1 109.132 AC 0.246 0 Anodyne ref ACAARO Nc1cccc(N)[nH+]1 in-vitro Cc1nc(N)sc1C(=O)O ZINC000000356411 94/69/74/168946974 QCVFVGONDMKXEE-UHFFFAOYSA-N -1 158.182 AC 0.732 0 Anodyne ref ACAARM Cc1nc(N)sc1C(=O)[O-] Cn1nc2c(c1C(=O)O)CCCC2 ZINC000000385079 06/35/82/169063582 JPFHYMMFZMXFMY-UHFFFAOYSA-N -1 180.207 AC 0.997 0 Anodyne ref ACAARM Cn1nc2c(c1C(=O)[O-])CCCC2 Nc1cccc(C(=O)O)c1 ZINC000000388179 29/56/52/169295652 XFDUHJPVQKIXHO-UHFFFAOYSA-N -1 137.138 AC 0.967 0 Anodyne ref ACAARM Nc1cccc(C(=O)[O-])c1 investigational biogenic Cc1cc(C(=O)O)on1 ZINC000000389129 93/60/39/342936039 HXIYCKAAQPHZBM-UHFFFAOYSA-N -1 127.099 AC 0.681 0 Anodyne ref ACAARM Cc1cc(C(=O)[O-])on1 NCc1ccc(N)cc1 ZINC000000389785 22/37/24/169223724 BFWYZZPDZZGSLJ-UHFFFAOYSA-N 1 122.171 AC 0.728 0 Clean ref ACCARO Nc1ccc(C[NH3+])cc1 in-vitro COc1ccc(C(=O)O)c(OC)n1 ZINC000000389808 24/63/42/168246342 SDJQZCSCHUIITF-UHFFFAOYSA-N -1 183.163 AC 0.797 0 Anodyne ref ACAARM COc1ccc(C(=O)[O-])c(OC)n1 O=C(O)c1ccnc(C(=O)O)c1 ZINC000000391915 99/47/78/170994778 MJIVRKPEXXHNJT-UHFFFAOYSA-N -2 167.12 AC 0.478 0 Anodyne ref ACAARL O=C([O-])c1ccnc(C(=O)[O-])c1 in-vivo COC(=O)c1ccc(C(=O)OC)o1 ZINC000000399934 13/09/86/168130986 UWQOPFRNDNVUOA-UHFFFAOYSA-N 0 184.147 AC 0.853 0 Anodyne ref ACAARN COC(=O)c1ccc(C(=O)OC)o1 N#Cc1ccccn1 ZINC000000404339 12/74/37/169127437 FFNVQNRYTPFDDP-UHFFFAOYSA-N 0 104.112 AC 0.953 0 Mild ref ACEARN N#Cc1ccccn1 in-vitro CCN(CC)CCC(=O)O ZINC000000404359 99/52/67/170995267 DIOYEFVIHLBWJX-UHFFFAOYSA-N 0 145.202 AC 0.803 0 Anodyne ref ACAARN CC[NH+](CC)CCC(=O)[O-] Cn1nnc(-c2ccccc2N)n1 ZINC000000414528 06/85/64/169068564 AARSOULZHCSWKN-UHFFFAOYSA-N 0 175.195 AC 0.459 0 Anodyne ref ACAARN Cn1nnc(-c2ccccc2N)n1 COc1ccc(-n2cnnn2)c(N)c1 ZINC000000415590 24/19/93/168241993 XIRTVSDJTGYPDJ-UHFFFAOYSA-N 0 191.194 AC 0.253 0 Anodyne ref ACAARN COc1ccc(-n2cnnn2)c(N)c1 N=C(NO)c1ccccn1 ZINC000000436633 14/32/23/169143223 XKXCGXSHUNVFCT-UHFFFAOYSA-N 1 137.142 AC 0.386 2 Anodyne low ACAALO [NH2+]=C(NO)c1ccccn1 in-vitro N=C(NO)c1ccccn1 ZINC000000436633 14/32/21/169143221 XKXCGXSHUNVFCT-UHFFFAOYSA-N 1 137.142 AC 0.386 0 Anodyne ref ACAARO N=C(NO)c1ccccn1 in-vitro N=C(NO)c1ccncc1 ZINC000000436634 14/36/83/169143683 ZUUATXHRJFHSGO-UHFFFAOYSA-N 0 137.142 AC 0.386 3 Anodyne high ACAAHN N=C(NO)c1ccncc1 in-vitro N=C(NO)c1ccncc1 ZINC000000436634 14/36/82/169143682 ZUUATXHRJFHSGO-UHFFFAOYSA-N 0 137.142 AC 0.386 0 Anodyne ref ACAARN [NH2+]=C(NO)c1ccncc1 in-vitro Nn1cnc2ccccc2c1=O ZINC000000501340 31/32/99/169313299 XZRJWCFKYOZVIH-UHFFFAOYSA-N 0 161.164 AC 0.11 0 Anodyne ref ACAARN Nn1cnc2ccccc2c1=O CC(=O)[C@H]1CCOC1=O ZINC000000519770 31/01/24/166310124 OMQHDIHZSDEIFH-RXMQYKEDSA-N 0 128.127 AC 0.139 1 Anodyne mid ACAAMN CC(=O)[C@H]1CCOC1=O in-vitro CC(=O)[C@H]1CCOC1=O ZINC000000519770 31/01/20/166310120 OMQHDIHZSDEIFH-RXMQYKEDSA-N 0 128.127 AC 0.139 0 Anodyne ref ACAARN CC(O)=C1CCOC1=O in-vitro