CCOC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000000028379 33/92/25/167339225 XDEFHGLUBFLYGV-UHFFFAOYSA-N 0 199.166 AC 0.354 0 Bother ref ACBARN CCOC(=O)Cn1cc([N+](=O)[O-])cn1 CCOC(=O)Cc1csc(N)n1 ZINC000000035856 34/02/73/167340273 SHQNGLYXRFCPGZ-UHFFFAOYSA-N 0 186.236 AC 0.831 0 Anodyne ref ACAARN CCOC(=O)Cc1csc(N)n1 COC(=O)c1ccc2n[nH]nc2c1 ZINC000000071469 13/25/11/168132511 ZMMBQCILDZFYKX-UHFFFAOYSA-N -1 177.163 AC 0.744 3 Anodyne high ACAAHM COC(=O)c1ccc2n[n-]nc2c1 COC(=O)c1ccc2n[nH]nc2c1 ZINC000000071469 13/25/09/168132509 ZMMBQCILDZFYKX-UHFFFAOYSA-N -1 177.163 AC 0.744 3 Anodyne high ACAAHM COC(=O)c1ccc2[n-]nnc2c1 COC(=O)c1ccc2n[nH]nc2c1 ZINC000000071469 13/25/07/168132507 ZMMBQCILDZFYKX-UHFFFAOYSA-N -1 177.163 AC 0.744 3 Anodyne high ACAAHM COC(=O)c1ccc2nn[n-]c2c1 COC(=O)c1ccc2n[nH]nc2c1 ZINC000000071469 13/25/05/168132505 ZMMBQCILDZFYKX-UHFFFAOYSA-N 0 177.163 AC 0.744 0 Anodyne ref ACAARN COC(=O)c1ccc2n[nH]nc2c1 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 CNC(=O)c1ccc(N)cc1 ZINC000000136207 92/76/68/342927668 XAGFYNSCWICYPA-UHFFFAOYSA-N 0 150.181 AC 0.628 0 Anodyne ref ACAARN CNC(=O)c1ccc(N)cc1 c1cc(N2CCNCC2)ccn1 ZINC000000155383 17/85/11/132178511 OQZBAQXTXNIPRA-UHFFFAOYSA-N 1 163.224 AC 0.491 3 Anodyne high ACAAHO c1cc(N2CC[NH2+]CC2)ccn1 in-vivo c1cc(N2CCNCC2)ccn1 ZINC000000155383 17/85/10/132178510 OQZBAQXTXNIPRA-UHFFFAOYSA-N 2 163.224 AC 0.491 0 Anodyne ref ACAARP c1cc(N2CC[NH2+]CC2)cc[nH+]1 in-vivo N=C(N)c1cccc([N+](=O)[O-])c1 ZINC000000155927 14/10/27/169141027 BAAYGBNLZPDGJS-UHFFFAOYSA-N 1 165.152 AC 0.879 0 Bother ref ACBARO NC(=[NH2+])c1cccc([N+](=O)[O-])c1 N=C(N)c1ccccn1 ZINC000000156702 14/16/84/169141684 KNXKVYCVGXFLES-UHFFFAOYSA-N 0 121.143 AC 0.366 3 Anodyne high ACAAHN N=C(N)c1ccccn1 N=C(N)c1ccccn1 ZINC000000156702 14/16/81/169141681 KNXKVYCVGXFLES-UHFFFAOYSA-N 1 121.143 AC 0.366 0 Anodyne ref ACAARO NC(=[NH2+])c1ccccn1 NC(=S)NC1CCCC1 ZINC000000162729 16/66/05/169166605 VEJCUYXHMQFYGE-UHFFFAOYSA-N 0 144.243 AC 0.762 0 Anodyne ref ACAARN NC(=S)NC1CCCC1 N=C(N)c1cccnc1 ZINC000000165409 14/11/05/169141105 FVGUUJNEJJPLCS-UHFFFAOYSA-N 1 121.143 AC 0.366 0 Anodyne ref ACAARO NC(=[NH2+])c1cccnc1 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 O=C(c1ccco1)N1CCNCC1 ZINC000000236148 36/34/92/169363492 SADPINFEWFPMEA-UHFFFAOYSA-N 0 180.207 AC 0.325 1 Anodyne mid ACAAMN O=C(c1ccco1)N1CCNCC1 O=C(c1ccco1)N1CCNCC1 ZINC000000236148 36/34/91/169363491 SADPINFEWFPMEA-UHFFFAOYSA-N 1 180.207 AC 0.325 0 Anodyne ref ACAARO O=C(c1ccco1)N1CC[NH2+]CC1 O=C(c1cccnc1)N1CCNCC1 ZINC000000251609 36/36/33/169363633 VYSFCBZMPSKWOF-UHFFFAOYSA-N 0 191.234 AC 0.127 1 Anodyne mid ACAAMN O=C(c1cccnc1)N1CCNCC1 O=C(c1cccnc1)N1CCNCC1 ZINC000000251609 36/36/31/169363631 VYSFCBZMPSKWOF-UHFFFAOYSA-N 1 191.234 AC 0.127 0 Anodyne ref ACAARO O=C(c1cccnc1)N1CC[NH2+]CC1 O=C(O)CCN1CCCCC1 ZINC000000265638 33/79/43/169337943 LPDGWMLCUHULJF-UHFFFAOYSA-N 0 157.213 AC 0.947 0 Anodyne ref ACAARN O=C([O-])CC[NH+]1CCCCC1 O=C(O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000000266732 35/15/26/169351526 DZQZKPNTCXAUKJ-ZETCQYMHSA-N -1 197.234 AC 0.862 0 Anodyne ref ACAARM O=C([O-])[C@H]1CC(=O)N(C2CCCC2)C1 O=C(O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000000266734 34/58/04/169345804 DZQZKPNTCXAUKJ-SSDOTTSWSA-N -1 197.234 AC 0.862 0 Anodyne ref ACAARM O=C([O-])[C@@H]1CC(=O)N(C2CCCC2)C1 O=C(c1cccs1)N1CCNCC1 ZINC000000302410 36/34/59/169363459 KUKGMDPEGDZCTL-UHFFFAOYSA-N 0 196.275 AC 0.793 1 Anodyne mid ACAAMN O=C(c1cccs1)N1CCNCC1 O=C(c1cccs1)N1CCNCC1 ZINC000000302410 36/34/58/169363458 KUKGMDPEGDZCTL-UHFFFAOYSA-N 1 196.275 AC 0.793 0 Anodyne ref ACAARO O=C(c1cccs1)N1CC[NH2+]CC1 COc1ccc(C(=N)N)cc1 ZINC000000391171 24/40/54/168244054 CSISQILZUHMAJB-UHFFFAOYSA-N 1 150.181 AC 0.979 0 Anodyne ref ACAARO COc1ccc(C(N)=[NH2+])cc1 in-vitro CC(C)(C)OC(=O)CCN ZINC000000402635 36/75/12/166367512 ZJXHVYSDMUKUCA-UHFFFAOYSA-N 1 145.202 AC 0.677 0 Anodyne ref ACAARO CC(C)(C)OC(=O)CC[NH3+] 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-] O=C(O)CCN1CCCC1 ZINC000000811647 33/85/38/169338538 BRSKDXVJFXXUKX-UHFFFAOYSA-N 0 143.186 AC 0.557 0 Anodyne ref ACAARN O=C([O-])CC[NH+]1CCCC1 O=C(O)c1cnc2ccccn2c1=O ZINC000000873714 35/99/49/169359949 YGHFAYBPBVHKHY-UHFFFAOYSA-N -1 190.158 AC 0.393 0 Anodyne ref ACAARM O=C([O-])c1cnc2ccccn2c1=O Nc1cccc(C(=O)O)c1N ZINC000001420532 29/57/62/169295762 KKTUQAYCCLMNOA-UHFFFAOYSA-N -1 152.153 AC 0.549 0 Anodyne ref ACAARM Nc1cccc(C(=O)[O-])c1N in-vitro Nc1cnc(Br)cn1 ZINC000001420726 30/19/13/169301913 KRRTXVSBTPCDOS-UHFFFAOYSA-N 0 174.001 AC 0.821 0 Anodyne ref ACAARN Nc1cnc(Br)cn1 in-vitro CCC(=N)N ZINC000001420834 94/52/25/342945225 GNFWGDKKNWGGJY-UHFFFAOYSA-N 1 72.111 AC 0.332 0 Anodyne ref ACAARO CCC(N)=[NH2+] CC(C)C(=N)N ZINC000001420839 94/52/11/342945211 NDAJNMAAXXIADY-UHFFFAOYSA-N 1 86.138 AC 0.578 0 Anodyne ref ACAARO CC(C)C(N)=[NH2+] N=C(N)C1CC1 ZINC000001433057 13/56/75/169135675 FXFPOKGPAPEJNE-UHFFFAOYSA-N 1 84.122 AC 0.332 0 Anodyne ref ACAARO NC(=[NH2+])C1CC1 COC(=O)c1ccc(C(=N)N)cc1 ZINC000001433249 12/99/92/168129992 RBAKRWBISSQANO-UHFFFAOYSA-N 1 178.191 AC 0.757 0 Anodyne ref ACAARO COC(=O)c1ccc(C(N)=[NH2+])cc1 COc1ccc(C(=N)N)cc1OC ZINC000001437485 24/37/85/168243785 GRNBGCVJIQHIKG-UHFFFAOYSA-N 1 180.207 AC 0.988 0 Anodyne ref ACAARO COc1ccc(C(N)=[NH2+])cc1OC CCCC(=N)N ZINC000001437872 94/53/45/342945345 RXKUYBRRTKRGME-UHFFFAOYSA-N 1 86.138 AC 0.722 0 Anodyne ref ACAARO CCCC(N)=[NH2+] CCOC(CC(=N)N)OCC ZINC000001439062 37/87/07/167378707 JILSBDSMWZMWKO-UHFFFAOYSA-N 1 160.217 AC 0.712 0 Anodyne ref ACAARO CCOC(CC(N)=[NH2+])OCC CC(C)CC(=N)N ZINC000001439398 94/53/30/342945330 NWMAYMXDONWXTE-UHFFFAOYSA-N 1 100.165 AC 0.968 0 Anodyne ref ACAARO CC(C)CC(N)=[NH2+] COc1cccc(C(=N)N)c1 ZINC000001439405 26/83/19/168268319 ZSHGVAIVMZVMPD-UHFFFAOYSA-N 1 150.181 AC 0.979 0 Anodyne ref ACAARO COc1cccc(C(N)=[NH2+])c1 OCCNC1CCCCC1 ZINC000001576864 28/84/98/351288498 MGUMZJAQENFQKN-UHFFFAOYSA-N 1 143.23 AC 0.901 0 Anodyne ref ACAARO OCC[NH2+]C1CCCCC1 O=C(O)C#Cc1cccnc1 ZINC000001585763 20/76/22/171207622 WGCAHZOLQMSYJH-UHFFFAOYSA-N -1 147.133 AC 0.518 0 Mild ref ACEARM O=C([O-])C#Cc1cccnc1 NC(=O)[C@@H](N)CCc1ccccc1 ZINC000001588011 16/02/92/169160292 XSJXYGRSPMLWNS-VIFPVBQESA-N 0 178.235 AC 0.432 3 Anodyne high ACAAHN NC(=O)[C@@H](N)CCc1ccccc1 NC(=O)[C@@H](N)CCc1ccccc1 ZINC000001588011 16/02/90/169160290 XSJXYGRSPMLWNS-VIFPVBQESA-N 1 178.235 AC 0.432 0 Anodyne ref ACAARO NC(=O)[C@@H]([NH3+])CCc1ccccc1 Nc1cccnn1 ZINC000001621830 29/92/02/169299202 LETVJWLLIMJADE-UHFFFAOYSA-N 0 95.105 AC 0.059 0 Anodyne ref ACAARN Nc1cccnn1 CCOC(=O)CC(=O)C1CC1 ZINC000001627176 32/77/99/167327799 LFSVADABIDBSBV-UHFFFAOYSA-N 0 156.181 AC 0.919 0 Anodyne ref ACAARN CCOC(=O)CC(=O)C1CC1 NCCNc1ccccn1 ZINC000001646629 18/99/88/169189988 TYHXIJJQIJKFSO-UHFFFAOYSA-N 1 137.186 AC 0.452 0 Anodyne ref ACAARO [NH3+]CCNc1ccccn1 in-vitro CCOCc1cnc(C)nc1N ZINC000001673576 29/31/90/351293190 KEYFHYRXUHGMLW-UHFFFAOYSA-N 1 167.212 AC 0.904 2 Anodyne low ACAALO CCOCc1c[nH+]c(C)nc1N in-vitro CCOCc1cnc(C)nc1N ZINC000001673576 29/31/83/351293183 KEYFHYRXUHGMLW-UHFFFAOYSA-N 0 167.212 AC 0.904 0 Anodyne ref ACAARN CCOCc1cnc(C)nc1N in-vitro CN(C)CCC(=O)O ZINC000001677413 95/72/48/342957248 JMOXSQYGVIXBBZ-UHFFFAOYSA-N 0 117.148 AC 0.023 0 Anodyne ref ACAARN C[NH+](C)CCC(=O)[O-] in-vitro CCOC(=O)CCN(C)C ZINC000001698907 32/98/64/167329864 IZMJWGJGVGRWBW-UHFFFAOYSA-N 0 145.202 AC 0.501 3 Anodyne high ACAAHN CCOC(=O)CCN(C)C CCOC(=O)CCN(C)C ZINC000001698907 32/98/61/167329861 IZMJWGJGVGRWBW-UHFFFAOYSA-N 1 145.202 AC 0.501 0 Anodyne ref ACAARO CCOC(=O)CC[NH+](C)C NCCNc1ccccc1N ZINC000001791382 19/07/62/169190762 AFQWAHPEBNLBGZ-UHFFFAOYSA-N 1 151.213 AC 0.639 0 Anodyne ref ACAARO Nc1ccccc1NCC[NH3+] Nc1ccccc1N1CCNCC1 ZINC000001865784 17/95/91/132179591 TZWRXFPFRACRLO-UHFFFAOYSA-N 0 177.251 AC 0.678 3 Anodyne high ACAAHN Nc1ccccc1N1CCNCC1 in-vitro Nc1ccccc1N1CCNCC1 ZINC000001865784 17/95/87/132179587 TZWRXFPFRACRLO-UHFFFAOYSA-N 1 177.251 AC 0.678 0 Anodyne ref ACAARO Nc1ccccc1N1CC[NH2+]CC1 in-vitro CCN(CC)C[C@@H]1CO1 ZINC000002044102 17/12/17/167171217 SBIDUCNDVPSWQT-SSDOTTSWSA-N 1 129.203 AC 0.727 0 Mild ref ACEARO CC[NH+](CC)C[C@@H]1CO1 O=C1CNC(=O)c2ccccc2N1 ZINC000002155406 37/83/61/169378361 AZHGGDCFQPMANU-UHFFFAOYSA-N 0 176.175 AC 0.369 0 Anodyne ref ACAARN O=C1CNC(=O)c2ccccc2N1 C[C@H]1NC(=O)c2ccccc2NC1=O ZINC000002244281 97/14/24/342971424 LJONQULKOKMKBR-ZCFIWIBFSA-N 0 190.202 AC 0.757 0 Anodyne ref ACAARN C[C@H]1NC(=O)c2ccccc2NC1=O CCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000002381375 33/84/98/167338498 AOTWNAYPOPITHS-UHFFFAOYSA-N 0 199.166 AC 0.354 0 Bother ref ACBARN CCOC(=O)Cn1ccc([N+](=O)[O-])n1 N#CCCn1cc([N+](=O)[O-])cn1 ZINC000002388604 09/56/13/169095613 AVGYTRKUYWYTNV-UHFFFAOYSA-N 0 166.14 AC 0.705 0 Mild ref ACEARN N#CCCn1cc([N+](=O)[O-])cn1 N=C(N)c1ccncc1 ZINC000002389932 14/18/51/169141851 BIJRUEBMNUUNIJ-UHFFFAOYSA-N 1 121.143 AC 0.366 0 Anodyne ref ACAARO NC(=[NH2+])c1ccncc1 in-vitro Cc1ccnc(N2CCNCC2)c1 ZINC000002529844 17/95/72/132179572 ZFBRKSGGMODDHD-UHFFFAOYSA-N 0 177.251 AC 0.8 3 Anodyne high ACAAHN Cc1ccnc(N2CCNCC2)c1 Cc1ccnc(N2CCNCC2)c1 ZINC000002529844 17/95/70/132179570 ZFBRKSGGMODDHD-UHFFFAOYSA-N 1 177.251 AC 0.8 0 Anodyne ref ACAARO Cc1ccnc(N2CC[NH2+]CC2)c1 N#CCn1ccc([N+](=O)[O-])n1 ZINC000002537508 10/54/07/169105407 XCZUZAPVPZFWQM-UHFFFAOYSA-N 0 152.113 AC 0.315 0 Mild ref ACEARN N#CCn1ccc([N+](=O)[O-])n1 N#CCn1cc([N+](=O)[O-])cn1 ZINC000002537510 10/66/25/169106625 LFQFUHCPOAKRLD-UHFFFAOYSA-N 0 152.113 AC 0.315 0 Mild ref ACEARN N#CCn1cc([N+](=O)[O-])cn1 CCn1ccc([N+](=O)[O-])n1 ZINC000002537792 97/54/65/342975465 RWOWBWIASXSRFO-UHFFFAOYSA-N 0 141.13 AC 0.811 0 Bother ref ACBARN CCn1ccc([N+](=O)[O-])n1 CCCn1ccc(N)n1 ZINC000002537951 12/17/47/167121747 LONOODCVABUHFO-UHFFFAOYSA-N 0 125.175 AC 0.875 0 Anodyne ref ACAARN CCCn1ccc(N)n1 CCCn1cc(N)cn1 ZINC000002537955 11/83/58/167118358 DMDDBNVQWLCYMJ-UHFFFAOYSA-N 0 125.175 AC 0.875 0 Anodyne ref ACAARN CCCn1cc(N)cn1 NC(=S)Nc1cnccn1 ZINC000002538964 16/63/85/169166385 TWGSSYKLXJRVDA-UHFFFAOYSA-N 0 154.198 AC 0.132 0 Anodyne ref ACAARN NC(=S)Nc1cnccn1 CC(C)(C)C(=O)N1CCNCC1 ZINC000002540617 34/68/42/166346842 FPXOBQQMHSMJMN-UHFFFAOYSA-N 0 170.256 AC 0.464 1 Anodyne mid ACAAMN CC(C)(C)C(=O)N1CCNCC1 CC(C)(C)C(=O)N1CCNCC1 ZINC000002540617 34/68/39/166346839 FPXOBQQMHSMJMN-UHFFFAOYSA-N 1 170.256 AC 0.464 0 Anodyne ref ACAARO CC(C)(C)C(=O)N1CC[NH2+]CC1 CC(C)C(=O)N1CCNCC1 ZINC000002540618 31/04/21/351310421 JPULDXYXDMNTNT-UHFFFAOYSA-N 0 156.229 AC 0.074 1 Anodyne mid ACAAMN CC(C)C(=O)N1CCNCC1 CC(C)C(=O)N1CCNCC1 ZINC000002540618 31/04/18/351310418 JPULDXYXDMNTNT-UHFFFAOYSA-N 1 156.229 AC 0.074 0 Anodyne ref ACAARO CC(C)C(=O)N1CC[NH2+]CC1 CCn1cc(N)cn1 ZINC000002554028 97/62/14/342976214 HENLKZLWIDJRSC-UHFFFAOYSA-N 0 111.148 AC 0.485 0 Anodyne ref ACAARN CCn1cc(N)cn1 CC(C)(C)OC(=O)NCCN ZINC000002556977 37/15/04/166371504 AOCSUUGBCMTKJH-UHFFFAOYSA-N 1 160.217 AC 0.47 0 Anodyne ref ACAARO CC(C)(C)OC(=O)NCC[NH3+] in-vitro CCn1ccc(N)n1 ZINC000002558418 97/64/50/342976450 PZJGLURDALTFPQ-UHFFFAOYSA-N 0 111.148 AC 0.485 0 Anodyne ref ACAARN CCn1ccc(N)n1 CCC(=O)N(C)OC ZINC000002558957 97/67/11/342976711 YKVJZSZZQKQJMO-UHFFFAOYSA-N 0 117.148 AC 0.416 0 Anodyne ref ACAARN CCC(=O)N(C)OC N=C(N)c1ccc([N+](=O)[O-])cc1 ZINC000002565176 14/11/62/169141162 RNYJYWQMEZWWPT-UHFFFAOYSA-N 1 165.152 AC 0.879 0 Bother ref ACBARO NC(=[NH2+])c1ccc([N+](=O)[O-])cc1 in-vitro CC(C)CC(=O)N1CCNCC1 ZINC000002578523 00/83/59/171008359 OHUHHACSCXRQJS-UHFFFAOYSA-N 0 170.256 AC 0.464 1 Anodyne mid ACAAMN CC(C)CC(=O)N1CCNCC1 CC(C)CC(=O)N1CCNCC1 ZINC000002578523 00/83/57/171008357 OHUHHACSCXRQJS-UHFFFAOYSA-N 1 170.256 AC 0.464 0 Anodyne ref ACAARO CC(C)CC(=O)N1CC[NH2+]CC1 c1cc(N2CCCNCC2)ccn1 ZINC000002586031 31/46/19/351314619 PKAOAQVMDURQAK-UHFFFAOYSA-N 1 177.251 AC 0.881 3 Anodyne high ACAAHO c1cc(N2CCC[NH2+]CC2)ccn1 c1cc(N2CCCNCC2)ccn1 ZINC000002586031 31/46/11/351314611 PKAOAQVMDURQAK-UHFFFAOYSA-N 2 177.251 AC 0.881 0 Anodyne ref ACAARP c1cc(N2CCC[NH2+]CC2)cc[nH+]1 CCOC(=O)CC(=O)c1cnccn1 ZINC000002599176 32/92/95/167329295 OPBDMDPBJKVMNL-UHFFFAOYSA-N -1 194.19 AC 0.613 0 Anodyne ref ACAARM CCOC(=O)C=C([O-])c1cnccn1 C=CCN1C[C@@H](C(=O)O)CC1=O ZINC000003662645 18/01/51/166180151 NQPNARIZMOTIPS-LURJTMIESA-N -1 169.18 AC 0.106 0 Mild ref ACEARM C=CCN1C[C@@H](C(=O)[O-])CC1=O C=CCN1C[C@H](C(=O)O)CC1=O ZINC000003662646 18/05/06/166180506 NQPNARIZMOTIPS-ZCFIWIBFSA-N -1 169.18 AC 0.106 0 Mild ref ACEARM C=CCN1C[C@H](C(=O)[O-])CC1=O CC(C)N1C[C@@H](C(=O)O)CC1=O ZINC000003671424 98/33/37/342983337 YKWIPHFVESIOGN-LURJTMIESA-N -1 171.196 AC 0.328 0 Anodyne ref ACAARM CC(C)N1C[C@@H](C(=O)[O-])CC1=O CC(C)N1C[C@H](C(=O)O)CC1=O ZINC000003671425 98/34/13/342983413 YKWIPHFVESIOGN-ZCFIWIBFSA-N -1 171.196 AC 0.328 0 Anodyne ref ACAARM CC(C)N1C[C@H](C(=O)[O-])CC1=O CCSC(=N)N ZINC000003806245 01/05/39/171010539 VFIZBHJTOHUOEK-UHFFFAOYSA-N 1 104.178 AC 0.633 0 Anodyne ref ACAARO CCSC(N)=[NH2+] in-vivo CC(C)CN1C[C@H](C(=O)O)CC1=O ZINC000003882684 32/28/63/351322863 YWZWNDCJUFFVLP-SSDOTTSWSA-N -1 185.223 AC 0.575 0 Anodyne ref ACAARM CC(C)CN1C[C@H](C(=O)[O-])CC1=O CC(C)CN1C[C@@H](C(=O)O)CC1=O ZINC000003882685 32/26/65/351322665 YWZWNDCJUFFVLP-ZETCQYMHSA-N -1 185.223 AC 0.575 0 Anodyne ref ACAARM CC(C)CN1C[C@@H](C(=O)[O-])CC1=O NCCNc1ccccc1[N+](=O)[O-] ZINC000003888832 18/92/15/169189215 OQOLYTBWYAUNJX-UHFFFAOYSA-N 1 181.195 AC 0.965 0 Bother ref ACBARO [NH3+]CCNc1ccccc1[N+](=O)[O-] C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000004202318 48/31/77/168483177 LJONQULKOKMKBR-LURJTMIESA-N 0 190.202 AC 0.757 0 Anodyne ref ACAARN C[C@@H]1NC(=O)c2ccccc2NC1=O C[C@@H]1CN(c2ccccn2)CCN1 ZINC000004204036 18/01/86/132180186 JOONLELIXITVDH-SECBINFHSA-N 0 177.251 AC 0.88 3 Anodyne high ACAAHN C[C@@H]1CN(c2ccccn2)CCN1 C[C@@H]1CN(c2ccccn2)CCN1 ZINC000004204036 18/01/83/132180183 JOONLELIXITVDH-SECBINFHSA-N 1 177.251 AC 0.88 0 Anodyne ref ACAARO C[C@@H]1CN(c2ccccn2)CC[NH2+]1 C[C@H]1CN(c2ccccn2)CCN1 ZINC000004204037 18/01/49/132180149 JOONLELIXITVDH-VIFPVBQESA-N 0 177.251 AC 0.88 3 Anodyne high ACAAHN C[C@H]1CN(c2ccccn2)CCN1 C[C@H]1CN(c2ccccn2)CCN1 ZINC000004204037 18/01/46/132180146 JOONLELIXITVDH-VIFPVBQESA-N 1 177.251 AC 0.88 0 Anodyne ref ACAARO C[C@H]1CN(c2ccccn2)CC[NH2+]1 CCN(CC)C[C@H]1CO1 ZINC000004206515 16/96/72/167169672 SBIDUCNDVPSWQT-ZETCQYMHSA-N 1 129.203 AC 0.727 0 Mild ref ACEARO CC[NH+](CC)C[C@H]1CO1 O=C(c1ccncc1)N1CCNCC1 ZINC000004218870 36/37/33/169363733 YLYAETTZHAUHNX-UHFFFAOYSA-N 0 191.234 AC 0.127 1 Anodyne mid ACAAMN O=C(c1ccncc1)N1CCNCC1