NCc1ccc(S(N)(=O)=O)cc1 ZINC000000001644 22/37/00/169223700 TYMRLRRVMHJFTF-UHFFFAOYSA-N 1 186.236 AB -0.207 0 Anodyne ref ABAARO NS(=O)(=O)c1ccc(C[NH3+])cc1 fda NNC(=O)c1ccc(N)cc1 ZINC000000134424 17/73/81/560177381 WPBZMCGPFHZRHJ-UHFFFAOYSA-N 0 151.169 AB -0.128 0 Reactive ref ABGARN NNC(=O)c1ccc(N)cc1 in-vitro Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000000162484 93/00/25/342930025 SHVCSCWHWMSGTE-UHFFFAOYSA-N 0 126.115 AB -0.628 0 Anodyne ref ABAARN Cc1cc(=O)[nH]c(=O)[nH]1 in-vitro O=C(O)CCC(=O)N1CCOCC1 ZINC000000294572 93/29/61/342932961 OJFWUNYQLGJYEO-UHFFFAOYSA-N -1 187.195 AB -0.29 0 Anodyne ref ABAARM O=C([O-])CCC(=O)N1CCOCC1 CCOC(=O)[C@H](C)O ZINC000000391793 35/91/27/167359127 LZCLXQDLBQLTDK-BYPYZUCNSA-N 0 118.132 AB -0.07 0 Anodyne ref ABAARN CCOC(=O)[C@H](C)O in-man endogenous O=C(O)c1cc(O)nc(O)n1 ZINC000001408068 35/63/20/169356320 PXQPEWDEAKTCGB-UHFFFAOYSA-N -2 156.097 AB -0.414 3 Anodyne high ABAAHL O=C([O-])c1cc(=O)[n-]c(=O)[nH]1 world endogenous O=C(O)c1cc(O)nc(O)n1 ZINC000001408068 35/63/18/169356318 PXQPEWDEAKTCGB-UHFFFAOYSA-N -1 156.097 AB -0.414 0 Anodyne ref ABAARM O=C([O-])c1cc(=O)[nH]c(=O)[nH]1 world endogenous O=c1c(=O)c(=O)c2ccccc2c1=O ZINC000001510094 94/61/98/342946198 HZVGIXIRNANSHU-UHFFFAOYSA-N 0 188.138 AB -0.844 0 Anodyne ref ABAARN O=c1c(=O)c(=O)c2ccccc2c1=O in-vitro O=S(=O)(O)CCN1CCOCC1 ZINC000001583444 28/82/41/351288241 SXGZJKUKBWWHRA-UHFFFAOYSA-N 0 195.24 AB -0.794 2 Anodyne low ABAALN O=S(=O)([O-])CC[NH+]1CCOCC1 in-vivo O=S(=O)(O)CCN1CCOCC1 ZINC000001583444 28/82/36/351288236 SXGZJKUKBWWHRA-UHFFFAOYSA-N -1 195.24 AB -0.794 0 Anodyne ref ABAARM O=S(=O)([O-])CCN1CCOCC1 in-vivo CC(=O)OC[C@H](CO)OC(C)=O ZINC000001640853 28/80/38/166288038 UXDDRFCJKNROTO-ZETCQYMHSA-N 0 176.168 AB -0.527 0 Anodyne ref ABAARN CC(=O)OC[C@H](CO)OC(C)=O in-man endogenous CCNCCCN ZINC000001655620 26/29/40/167262940 ODGYWRBCQWKSSH-UHFFFAOYSA-N 1 102.181 AB -0.055 3 Anodyne high ABAAHO CC[NH2+]CCCN CCNCCCN ZINC000001655620 26/29/38/167262938 ODGYWRBCQWKSSH-UHFFFAOYSA-N 2 102.181 AB -0.055 0 Anodyne ref ABAARP CC[NH2+]CCC[NH3+] CCN(CC)C[C@@H](O)CN ZINC000001665975 16/70/99/167167099 LEJMOTVCCRDZNE-ZETCQYMHSA-N 1 146.234 AB -0.352 3 Anodyne high ABAAHO CCN(CC)C[C@@H](O)C[NH3+] CCN(CC)C[C@@H](O)CN ZINC000001665975 16/70/95/167167095 LEJMOTVCCRDZNE-ZETCQYMHSA-N 1 146.234 AB -0.352 3 Anodyne high ABAAHO CC[NH+](CC)C[C@@H](O)CN CCN(CC)C[C@@H](O)CN ZINC000001665975 16/70/89/167167089 LEJMOTVCCRDZNE-ZETCQYMHSA-N 2 146.234 AB -0.352 0 Anodyne ref ABAARP CC[NH+](CC)C[C@@H](O)C[NH3+] COCCN1CC[C@@H](CO)C1 ZINC000001700378 16/47/00/168164700 ZVBJMUVVMBASLP-MRVPVSSYSA-N 1 159.229 AB -0.053 1 Anodyne mid ABAAMO COCC[N@H+]1CC[C@@H](CO)C1 COCCN1CC[C@@H](CO)C1 ZINC000001700378 16/46/98/168164698 ZVBJMUVVMBASLP-MRVPVSSYSA-N 1 159.229 AB -0.053 0 Anodyne ref ABAARO COCC[N@@H+]1CC[C@@H](CO)C1 CNCCOC ZINC000001720743 99/70/49/167997049 KOHBEDRJXKOYHL-UHFFFAOYSA-N 1 89.138 AB -0.148 0 Anodyne ref ABAARO C[NH2+]CCOC CC(=O)NCO ZINC000001845925 27/56/63/166275663 HWJHZLJIIWOTGZ-UHFFFAOYSA-N 0 89.094 AB -0.928 0 Anodyne ref ABAARN CC(=O)NCO CC(=O)OC[C@@H](CO)OC(C)=O ZINC000002015944 28/94/11/166289411 UXDDRFCJKNROTO-SSDOTTSWSA-N 0 176.168 AB -0.527 0 Anodyne ref ABAARN CC(=O)OC[C@@H](CO)OC(C)=O in-man endogenous CCN(CC)C[C@H](O)CN ZINC000002048302 16/96/53/167169653 LEJMOTVCCRDZNE-SSDOTTSWSA-N 1 146.234 AB -0.352 3 Anodyne high ABAAHO CCN(CC)C[C@H](O)C[NH3+] CCN(CC)C[C@H](O)CN ZINC000002048302 16/96/49/167169649 LEJMOTVCCRDZNE-SSDOTTSWSA-N 1 146.234 AB -0.352 3 Anodyne high ABAAHO CC[NH+](CC)C[C@H](O)CN CCN(CC)C[C@H](O)CN ZINC000002048302 16/96/45/167169645 LEJMOTVCCRDZNE-SSDOTTSWSA-N 2 146.234 AB -0.352 0 Anodyne ref ABAARP CC[NH+](CC)C[C@H](O)C[NH3+] C[C@H]1NCCNC1=O ZINC000002530738 97/47/36/342974736 BSPUWRUTIOUGMZ-SCSAIBSYSA-N 1 114.148 AB -0.906 1 Anodyne mid ABAAMO C[C@H]1[NH2+]CCNC1=O C[C@H]1NCCNC1=O ZINC000002530738 97/47/34/342974734 BSPUWRUTIOUGMZ-SCSAIBSYSA-N 0 114.148 AB -0.906 0 Anodyne ref ABAARN C[C@H]1NCCNC1=O CN(C)CCCNCCC(N)=O ZINC000002565648 97/73/69/342977369 NBANCPUCRZJYPJ-UHFFFAOYSA-N 1 173.26 AB -0.597 3 Anodyne high ABAAHO C[NH+](C)CCCNCCC(N)=O CN(C)CCCNCCC(N)=O ZINC000002565648 97/73/68/342977368 NBANCPUCRZJYPJ-UHFFFAOYSA-N 1 173.26 AB -0.597 1 Anodyne mid ABAAMO CN(C)CCC[NH2+]CCC(N)=O CN(C)CCCNCCC(N)=O ZINC000002565648 97/73/65/342977365 NBANCPUCRZJYPJ-UHFFFAOYSA-N 2 173.26 AB -0.597 0 Anodyne ref ABAARP C[NH+](C)CCC[NH2+]CCC(N)=O O=C(C1CC1)N1CCNCC1 ZINC000002586030 31/66/43/169316643 KIALFUYSJAAJSU-UHFFFAOYSA-N 0 154.213 AB -0.172 1 Anodyne mid ABAAMN O=C(C1CC1)N1CCNCC1 O=C(C1CC1)N1CCNCC1 ZINC000002586030 31/66/41/169316641 KIALFUYSJAAJSU-UHFFFAOYSA-N 1 154.213 AB -0.172 0 Anodyne ref ABAARO O=C(C1CC1)N1CC[NH2+]CC1 C[N+](C)(C)C[C@H](O)CC(=O)O ZINC000003079340 69/24/76/168692476 PHIQHXFUZVPYII-ZCFIWIBFSA-O 0 162.209 AB -0.472 0 Bother ref ABBARN C[N+](C)(C)C[C@H](O)CC(=O)[O-] fda endogenous O=C(O)Cn1cccn1 ZINC000003132236 34/52/98/169345298 LOSKNFQZTWYZHI-UHFFFAOYSA-N -1 126.115 AB -0.032 0 Anodyne ref ABAARM O=C([O-])Cn1cccn1 CS(=O)(=O)CCCO ZINC000003640445 29/20/47/168292047 XPXXXQZNUQAFQY-UHFFFAOYSA-N 0 138.188 AB -0.587 0 Anodyne ref ABAARN CS(=O)(=O)CCCO CCOS(=O)(=O)O ZINC000003875386 40/18/38/167401838 KIWBPDUYBMNFTB-UHFFFAOYSA-N -1 126.133 AB -0.174 0 Anodyne ref ABAARM CCOS(=O)(=O)[O-] in-man endogenous Nc1nonc1N ZINC000003882148 31/24/41/169312441 JHJVSUCUNFXIHN-UHFFFAOYSA-N 0 100.081 AB -0.766 0 Anodyne ref ABAARN Nc1nonc1N CC(=O)N1CCCNCC1 ZINC000004521106 26/00/41/166260041 TWJPZMYNUBAUGA-UHFFFAOYSA-N 0 142.202 AB -0.172 3 Anodyne high ABAAHN CC(=O)N1CCCNCC1 CC(=O)N1CCCNCC1 ZINC000004521106 26/00/36/166260036 TWJPZMYNUBAUGA-UHFFFAOYSA-N 1 142.202 AB -0.172 0 Anodyne ref ABAARO CC(=O)N1CCC[NH2+]CC1 NCC(=O)O ZINC000004658552 01/42/07/171014207 DHMQDGOQFOQNFH-UHFFFAOYSA-N 0 75.067 AB -0.97 0 Anodyne ref ABAARN [NH3+]CC(=O)[O-] fda endogenous O=C(O)CO ZINC000004658557 01/35/44/171013544 AEMRFAOFKBGASW-UHFFFAOYSA-N -1 76.051 AB -0.937 0 Anodyne ref ABAARM O=C([O-])CO fda endogenous NC(=S)C(N)=S ZINC000004695122 01/39/73/171013973 OAEGRYMCJYIXQT-UHFFFAOYSA-N 0 120.202 AB -0.441 0 Anodyne ref ABAARN NC(=S)C(N)=S C[C@@H]1NCCNC1=O ZINC000004829567 33/45/42/351334542 BSPUWRUTIOUGMZ-BYPYZUCNSA-N 1 114.148 AB -0.906 1 Anodyne mid ABAAMO C[C@@H]1[NH2+]CCNC1=O C[C@@H]1NCCNC1=O ZINC000004829567 33/45/37/351334537 BSPUWRUTIOUGMZ-BYPYZUCNSA-N 0 114.148 AB -0.906 0 Anodyne ref ABAARN C[C@@H]1NCCNC1=O COCCN1CC[C@H](CO)C1 ZINC000004990548 16/38/89/168163889 ZVBJMUVVMBASLP-QMMMGPOBSA-N 1 159.229 AB -0.053 1 Anodyne mid ABAAMO COCC[N@H+]1CC[C@H](CO)C1 COCCN1CC[C@H](CO)C1 ZINC000004990548 16/38/86/168163886 ZVBJMUVVMBASLP-QMMMGPOBSA-N 1 159.229 AB -0.053 0 Anodyne ref ABAARO COCC[N@@H+]1CC[C@H](CO)C1 Nc1[nH]ncc1C(=O)O ZINC000005116952 01/54/64/171015464 KMRVTZLKQPFHFS-UHFFFAOYSA-N -1 127.103 AB -0.31 0 Anodyne ref ABAARM Nc1n[nH]cc1C(=O)[O-] C1CNCCN1 ZINC000005850277 21/51/09/171215109 GLUUGHFHXGJENI-UHFFFAOYSA-N 1 86.138 AB -0.821 0 Anodyne ref ABAARO C1C[NH2+]CCN1 world CC[C@H]1NCCNC1=O ZINC000005907687 00/97/38/343009738 BAOOEQIOVFBREJ-RXMQYKEDSA-N 1 128.175 AB -0.516 1 Anodyne mid ABAAMO CC[C@H]1[NH2+]CCNC1=O CC[C@H]1NCCNC1=O ZINC000005907687 00/97/34/343009734 BAOOEQIOVFBREJ-RXMQYKEDSA-N 0 128.175 AB -0.516 0 Anodyne ref ABAARN CC[C@H]1NCCNC1=O CC[C@@H]1NCCNC1=O ZINC000005908215 00/94/70/343009470 BAOOEQIOVFBREJ-YFKPBYRVSA-N 1 128.175 AB -0.516 1 Anodyne mid ABAAMO CC[C@@H]1[NH2+]CCNC1=O CC[C@@H]1NCCNC1=O ZINC000005908215 00/94/67/343009467 BAOOEQIOVFBREJ-YFKPBYRVSA-N 0 128.175 AB -0.516 0 Anodyne ref ABAARN CC[C@@H]1NCCNC1=O CCOC(=O)C(=NO)C(=O)OCC ZINC000006385441 32/16/92/167321692 QOPCUMZEDYLUDO-UHFFFAOYSA-N -1 189.167 AB -0.057 0 Mild ref ABEARM CCOC(=O)C(=N[O-])C(=O)OCC O=C(O)P(=O)(O)O ZINC000008101109 34/46/97/169344697 ZJAOAACCNHFJAH-UHFFFAOYSA-N -2 126.004 AB -0.158 2 Anodyne low ABAALL O=C([O-])[P@@](=O)([O-])O fda O=C(O)P(=O)(O)O ZINC000008101109 34/46/96/169344696 ZJAOAACCNHFJAH-UHFFFAOYSA-N -2 126.004 AB -0.158 2 Anodyne low ABAALL O=C([O-])[P@](=O)([O-])O fda O=C(O)P(=O)(O)O ZINC000008101109 34/46/95/169344695 ZJAOAACCNHFJAH-UHFFFAOYSA-N -3 126.004 AB -0.158 0 Anodyne ref ABAARL O=C([O-])P(=O)([O-])[O-] fda O=C1CSC(=O)N1 ZINC000008554292 37/97/89/169379789 ZOBPZXTWZATXDG-UHFFFAOYSA-N 0 117.129 AB -0.031 2 Anodyne low ABAALN O=C1CSC(=O)N1 investigational O=C1CSC(=O)N1 ZINC000008554292 37/97/87/169379787 ZOBPZXTWZATXDG-UHFFFAOYSA-N -1 117.129 AB -0.031 0 Anodyne ref ABAARM O=C1CSC(=O)[N-]1 investigational Cc1cc(=O)[nH]c(N)n1 ZINC000008603298 01/90/20/343019020 KWXIPEYKZKIAKR-UHFFFAOYSA-N -1 125.131 AB -0.339 3 Anodyne high ABAAHM Cc1cc(=O)[n-]c(N)n1 in-vitro Cc1cc(=O)[nH]c(N)n1 ZINC000008603298 01/90/19/343019019 KWXIPEYKZKIAKR-UHFFFAOYSA-N 0 125.131 AB -0.339 0 Anodyne ref ABAARN Cc1cc(=O)[nH]c(N)n1 in-vitro CCN1CCNC(=O)[C@@H]1CC(=O)O ZINC000008844656 21/43/84/167214384 ABYNBFSWYQFXRA-LURJTMIESA-N 0 186.211 AB -0.719 1 Anodyne mid ABAAMN CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] CCN1CCNC(=O)[C@@H]1CC(=O)O ZINC000008844656 21/43/80/167214380 ABYNBFSWYQFXRA-LURJTMIESA-N 0 186.211 AB -0.719 1 Anodyne mid ABAAMN CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] CCN1CCNC(=O)[C@@H]1CC(=O)O ZINC000008844656 21/43/71/167214371 ABYNBFSWYQFXRA-LURJTMIESA-N -1 186.211 AB -0.719 0 Anodyne ref ABAARM CCN1CCNC(=O)[C@@H]1CC(=O)[O-] CCN1CCNC(=O)[C@H]1CC(=O)O ZINC000008844657 21/50/99/167215099 ABYNBFSWYQFXRA-ZCFIWIBFSA-N 0 186.211 AB -0.719 1 Anodyne mid ABAAMN CC[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] CCN1CCNC(=O)[C@H]1CC(=O)O ZINC000008844657 21/50/98/167215098 ABYNBFSWYQFXRA-ZCFIWIBFSA-N 0 186.211 AB -0.719 1 Anodyne mid ABAAMN CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] CCN1CCNC(=O)[C@H]1CC(=O)O ZINC000008844657 21/50/95/167215095 ABYNBFSWYQFXRA-ZCFIWIBFSA-N -1 186.211 AB -0.719 0 Anodyne ref ABAARM CCN1CCNC(=O)[C@H]1CC(=O)[O-] CC[C@@H](OC)C(N)=O ZINC000012137309 54/37/89/167543789 IIRXZLZIJHKUKX-SCSAIBSYSA-N 0 117.148 AB -0.103 0 Anodyne ref ABAARN CC[C@@H](OC)C(N)=O CC[C@H](OC)C(N)=O ZINC000012137310 02/84/21/343028421 IIRXZLZIJHKUKX-BYPYZUCNSA-N 0 117.148 AB -0.103 0 Anodyne ref ABAARN CC[C@H](OC)C(N)=O C/C(N)=N/O ZINC000012505193 05/82/18/166058218 AEXITZJSLGALNH-UHFFFAOYSA-N 1 74.083 AB -0.247 2 Mild low ABEALO C/C(N)=[NH+]/O C/C(N)=N/O ZINC000012505193 05/82/15/166058215 AEXITZJSLGALNH-UHFFFAOYSA-N 0 74.083 AB -0.247 0 Mild ref ABEARN C/C(N)=N/O CCO[C@@H](C)C(N)=O ZINC000014507036 40/18/51/167401851 KSIFOIXRKPNHLO-BYPYZUCNSA-N 0 117.148 AB -0.103 0 Anodyne ref ABAARN CCO[C@@H](C)C(N)=O CCO[C@H](C)C(N)=O ZINC000014507039 37/40/06/351374006 KSIFOIXRKPNHLO-SCSAIBSYSA-N 0 117.148 AB -0.103 0 Anodyne ref ABAARN CCO[C@H](C)C(N)=O COC[C@@H](CO)OC ZINC000015261730 37/80/79/351378079 RXDAPJJFRLSRPX-RXMQYKEDSA-N 0 120.148 AB -0.36 0 Anodyne ref ABAARN COC[C@@H](CO)OC COC[C@H](CO)OC ZINC000015261731 37/81/91/351378191 RXDAPJJFRLSRPX-YFKPBYRVSA-N 0 120.148 AB -0.36 0 Anodyne ref ABAARN COC[C@H](CO)OC O=c1cc(O)nc[nH]1 ZINC000018165139 38/55/90/351385590 DUFGYCAXVIUXIP-UHFFFAOYSA-N -2 112.088 AB -0.525 3 Anodyne high ABAAHL O=c1cc([O-])nc[n-]1 in-vitro O=c1cc(O)nc[nH]1 ZINC000018165139 38/55/88/351385588 DUFGYCAXVIUXIP-UHFFFAOYSA-N -1 112.088 AB -0.525 1 Anodyne mid ABAAMM O=c1cc([O-])nc[nH]1 in-vitro O=c1cc(O)nc[nH]1 ZINC000018165139 38/55/73/351385573 DUFGYCAXVIUXIP-UHFFFAOYSA-N 0 112.088 AB -0.525 0 Anodyne ref ABAARN O=c1cc(O)nc[nH]1 in-vitro CNCCC(N)=O ZINC000019093028 05/12/10/343051210 FFJLSBFLTYYWII-UHFFFAOYSA-N 1 102.137 AB -0.919 0 Anodyne ref ABAARO C[NH2+]CCC(N)=O CC(C)NCCC(N)=O ZINC000019093075 05/10/25/343051025 ONMUOFLRUZMXGF-UHFFFAOYSA-N 1 130.191 AB -0.14 0 Anodyne ref ABAARO CC(C)[NH2+]CCC(N)=O N#CCCN1CCNCC1 ZINC000019702378 03/50/92/171035092 MVOFPBMQTXKONX-UHFFFAOYSA-N 1 139.202 AB -0.195 0 Mild ref ABEARO N#CCCN1CC[NH2+]CC1 N#CCCNCCCO ZINC000019736846 03/58/60/171035860 YTMXVUVIZPTHBO-UHFFFAOYSA-N 0 128.175 AB -0.128 1 Mild mid ABEAMN N#CCCNCCCO N#CCCNCCCO ZINC000019736846 03/58/57/171035857 YTMXVUVIZPTHBO-UHFFFAOYSA-N 1 128.175 AB -0.128 0 Mild ref ABEARO N#CCC[NH2+]CCCO NCCCNCCCO ZINC000019736847 18/42/75/169184275 LJSUIIHXGIFTAO-UHFFFAOYSA-N 1 132.207 AB -0.693 3 Anodyne high ABAAHO [NH3+]CCCNCCCO NCCCNCCCO ZINC000019736847 18/42/74/169184274 LJSUIIHXGIFTAO-UHFFFAOYSA-N 1 132.207 AB -0.693 3 Anodyne high ABAAHO NCCC[NH2+]CCCO NCCCNCCCO ZINC000019736847 18/42/73/169184273 LJSUIIHXGIFTAO-UHFFFAOYSA-N 2 132.207 AB -0.693 0 Anodyne ref ABAARP [NH3+]CCC[NH2+]CCCO CCN(CC)CCNCCC(N)=O ZINC000019736875 16/57/22/167165722 LOMVMBTUOGTASY-UHFFFAOYSA-N 1 187.287 AB -0.207 3 Anodyne high ABAAHO CC[NH+](CC)CCNCCC(N)=O CCN(CC)CCNCCC(N)=O ZINC000019736875 16/57/19/167165719 LOMVMBTUOGTASY-UHFFFAOYSA-N 2 187.287 AB -0.207 2 Anodyne low ABAALP CC[NH+](CC)CC[NH2+]CCC(N)=O CCN(CC)CCNCCC(N)=O ZINC000019736875 16/57/17/167165717 LOMVMBTUOGTASY-UHFFFAOYSA-N 1 187.287 AB -0.207 0 Anodyne ref ABAARO CCN(CC)CC[NH2+]CCC(N)=O CCCNCCC(N)=O ZINC000019736927 05/92/59/343059259 SIGUKDAUOIBDTF-UHFFFAOYSA-N 1 130.191 AB -0.139 0 Anodyne ref ABAARO CCC[NH2+]CCC(N)=O C=CCNCCC(N)=O ZINC000019736931 18/75/26/166187526 BGRBSAXCIXLYCF-UHFFFAOYSA-N 1 128.175 AB -0.363 0 Mild ref ABEARO C=CC[NH2+]CCC(N)=O COCCNCCC(=O)OC ZINC000019736934 16/67/15/168166715 GTRHZOVTLYYYJH-UHFFFAOYSA-N 1 161.201 AB -0.215 0 Anodyne ref ABAARO COCC[NH2+]CCC(=O)OC COCCNCCC(N)=O ZINC000019736936 16/53/16/168165316 BRHFAFOJMGXZSK-UHFFFAOYSA-N 1 146.19 AB -0.902 0 Anodyne ref ABAARO COCC[NH2+]CCC(N)=O COCCNCCCN ZINC000019736938 16/60/76/168166076 LCVKUHWARTYVOZ-UHFFFAOYSA-N 1 132.207 AB -0.429 3 Anodyne high ABAAHO COCCNCCC[NH3+] COCCNCCCN ZINC000019736938 16/60/75/168166075 LCVKUHWARTYVOZ-UHFFFAOYSA-N 1 132.207 AB -0.429 0 Anodyne ref ABAARO COCC[NH2+]CCC[NH3+] CNCCCN1CCN(C)CC1 ZINC000019736975 05/94/37/343059437 HUGARFACUNSTSF-UHFFFAOYSA-N 1 171.288 AB -0.157 1 Anodyne mid ABAAMO C[NH2+]CCCN1CCN(C)CC1 CNCCCN1CCN(C)CC1 ZINC000019736975 05/94/36/343059436 HUGARFACUNSTSF-UHFFFAOYSA-N 2 171.288 AB -0.157 0 Anodyne ref ABAARP C[NH2+]CCCN1CC[NH+](C)CC1 CNC(=O)CCNCCOC ZINC000019736995 06/00/01/343060001 MXAJCGISAUBJSD-UHFFFAOYSA-N 1 160.217 AB -0.641 0 Anodyne ref ABAARO CNC(=O)CC[NH2+]CCOC CNCCC(=O)NC ZINC000019737002 05/99/77/343059977 BZAGWSIKXFPLND-UHFFFAOYSA-N 1 116.164 AB -0.658 0 Anodyne ref ABAARO CNC(=O)CC[NH2+]C CCOC(=O)CCNCCCO ZINC000019737004 33/09/69/167330969 NNQXQLNFSAFKFR-UHFFFAOYSA-N 1 175.228 AB -0.088 0 Anodyne ref ABAARO CCOC(=O)CC[NH2+]CCCO Nc1ccccc1C(=O)NCCO ZINC000033506735 29/90/14/169299014 TWRJRCKCJRVPKH-UHFFFAOYSA-N 0 180.207 AB -0.009 0 Anodyne ref ABAARN Nc1ccccc1C(=O)NCCO CCOCCOS(C)(=O)=O ZINC000034452562 39/18/16/167391816 NUJFCQFIGKZNJF-UHFFFAOYSA-N 0 168.214 AB -0.001 0 Mild ref ABEARN CCOCCOS(C)(=O)=O