C[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O ZINC000000001332 48/54/74/176485474 ZWAOHEXOSAUJHY-PFMSLJQWSA-N -1 246.194 BA -1.685 3 Anodyne high BAAAHM C[C@@H]1O[C@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@H]1O in-vitro biogenic C[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O ZINC000000001332 48/54/72/176485472 ZWAOHEXOSAUJHY-PFMSLJQWSA-N 0 246.194 BA -1.685 0 Anodyne ref BAAARN C[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O in-vitro biogenic Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1 ZINC000000004253 77/51/25/345775125 CKTSBUTUHBMZGZ-CHKWXVPMSA-N 0 227.22 BA -1.534 0 Anodyne ref BAAARN Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1 in-man Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000000025672 41/09/41/574410941 IQFYYKKMVGJFEH-XLPZGREQSA-N 0 242.231 BA -1.514 0 Anodyne ref BAAARN Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O investigational endogenous Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)O ZINC000000039683 67/09/31/342670931 AGASXISVTOCAIF-UHFFFAOYSA-N -1 224.176 BA -1.492 0 Anodyne ref BAAARM Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)[O-] in-vitro biogenic Nc1ccn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)n1 ZINC000000057290 77/51/18/345775118 CKTSBUTUHBMZGZ-HAFWLYHUSA-N 0 227.22 BA -1.534 0 Anodyne ref BAAARN Nc1ccn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)n1 C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000000057347 00/35/31/177003531 KYHQZNGJUGFTGR-LURJTMIESA-N 0 238.247 BA -1.185 0 Anodyne ref BAAARN C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C world C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000000057348 99/06/17/175990617 KYHQZNGJUGFTGR-ZCFIWIBFSA-N 0 238.247 BA -1.185 0 Anodyne ref BAAARN C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C world Cn1c(=O)c2c(ncn2CCO)n(C)c1=O ZINC000000057358 61/02/85/180610285 NWPRCRWQMGIBOT-UHFFFAOYSA-N 0 224.22 BA -1.574 0 Anodyne ref BAAARN Cn1c(=O)c2c(ncn2CCO)n(C)c1=O in-man Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O ZINC000000057633 67/20/55/342672055 HCYFGRCYSCXKNQ-UHFFFAOYSA-N -1 238.203 BA -1.482 0 Anodyne ref BAAARM Cn1c(=O)c2c(ncn2CC(=O)[O-])n(C)c1=O in-man O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12 ZINC000000061493 67/24/42/342672442 UGQZLDXDWSPAOM-UHFFFAOYSA-N 0 216.152 BA -1.034 0 Anodyne ref BAAARN O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12 O=C1N[C@@H](CCO)C(=O)N[C@H]1CCO ZINC000000162126 83/69/90/383836990 YCISBBFTTVKSNK-WDSKDSINSA-N 0 202.21 BA -2.266 0 Anodyne ref BAAARN O=C1N[C@@H](CCO)C(=O)N[C@H]1CCO in-vitro O=C1N[C@H](CCO)C(=O)N[C@@H]1CCO ZINC000000162133 81/99/66/182819966 YCISBBFTTVKSNK-PHDIDXHHSA-N 0 202.21 BA -2.266 0 Anodyne ref BAAARN O=C1N[C@H](CCO)C(=O)N[C@@H]1CCO CN1C(=O)C[C@H](N2CCC(C(N)=O)CC2)C1=O ZINC000000181384 67/93/99/342679399 LTANHDXVPSDNFV-QMMMGPOBSA-N 0 239.275 BA -1.059 1 Anodyne mid BAAAMN CN1C(=O)C[C@H](N2CCC(C(N)=O)CC2)C1=O CN1C(=O)C[C@H](N2CCC(C(N)=O)CC2)C1=O ZINC000000181384 67/93/97/342679397 LTANHDXVPSDNFV-QMMMGPOBSA-N 1 239.275 BA -1.059 0 Anodyne ref BAAARO CN1C(=O)C[C@H]([NH+]2CCC(C(N)=O)CC2)C1=O O=C(N[C@@H](CO)C(=O)O)c1cncc(O)c1 ZINC000000182880 28/53/61/182285361 NKUUBZSAYZZZBH-ZETCQYMHSA-N -2 226.188 BA -1.037 1 Anodyne mid BAAAML O=C(N[C@@H](CO)C(=O)[O-])c1cncc([O-])c1 O=C(N[C@@H](CO)C(=O)O)c1cncc(O)c1 ZINC000000182880 28/53/58/182285358 NKUUBZSAYZZZBH-ZETCQYMHSA-N -1 226.188 BA -1.037 0 Anodyne ref BAAARM O=C(N[C@@H](CO)C(=O)[O-])c1cncc(O)c1 O=C(N[C@H](CO)C(=O)O)c1cncc(O)c1 ZINC000000182882 32/35/56/182323556 NKUUBZSAYZZZBH-SSDOTTSWSA-N -2 226.188 BA -1.037 1 Anodyne mid BAAAML O=C(N[C@H](CO)C(=O)[O-])c1cncc([O-])c1 O=C(N[C@H](CO)C(=O)O)c1cncc(O)c1 ZINC000000182882 32/35/53/182323553 NKUUBZSAYZZZBH-SSDOTTSWSA-N -1 226.188 BA -1.037 0 Anodyne ref BAAARM O=C(N[C@H](CO)C(=O)[O-])c1cncc(O)c1 CCn1c(NN)nc2c1c(=O)n(C)c(=O)n2C ZINC000000287653 14/60/69/172146069 JOGGRFOGQUVUKU-UHFFFAOYSA-N 0 238.251 BA -1.261 1 Anodyne mid BAAAMN CCn1c(=NN)[nH]c2c1c(=O)n(C)c(=O)n2C CCn1c(NN)nc2c1c(=O)n(C)c(=O)n2C ZINC000000287653 14/60/66/172146066 JOGGRFOGQUVUKU-UHFFFAOYSA-N 0 238.251 BA -1.261 0 Anodyne ref BAAARN CCn1c(NN)nc2c1c(=O)n(C)c(=O)n2C O=C(O)CCCN1C(=O)N[C@H]2NC(=O)N[C@@H]21 ZINC000000356302 85/61/34/383856134 HSVUDFVAYXDLST-PHDIDXHHSA-N -1 228.208 BA -1.159 0 Anodyne ref BAAARM O=C([O-])CCCN1C(=O)N[C@H]2NC(=O)N[C@@H]21 O=C(O)CCCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21 ZINC000000356303 43/87/24/182438724 HSVUDFVAYXDLST-NTSWFWBYSA-N -1 228.208 BA -1.159 0 Anodyne ref BAAARM O=C([O-])CCCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21 O=C(O)CCCN1C(=O)N[C@H]2NC(=O)N[C@H]21 ZINC000000356304 85/96/35/383859635 HSVUDFVAYXDLST-RITPCOANSA-N -1 228.208 BA -1.159 0 Anodyne ref BAAARM O=C([O-])CCCN1C(=O)N[C@H]2NC(=O)N[C@H]21 O=C(O)CCCN1C(=O)N[C@@H]2NC(=O)N[C@H]21 ZINC000000356305 86/01/51/383860151 HSVUDFVAYXDLST-WDSKDSINSA-N -1 228.208 BA -1.159 0 Anodyne ref BAAARM O=C([O-])CCCN1C(=O)N[C@@H]2NC(=O)N[C@H]21 CN1C(=O)N(C)[C@H]2NC(=O)N(CC(=O)O)[C@@H]21 ZINC000000356433 68/47/04/342684704 PPMXHIAQRHEMAT-RITPCOANSA-N -1 228.208 BA -1.254 0 Anodyne ref BAAARM CN1C(=O)N(C)[C@H]2NC(=O)N(CC(=O)[O-])[C@@H]21 CN1C(=O)N(C)[C@H]2[C@@H]1NC(=O)N2CC(=O)O ZINC000000356434 68/46/86/342684686 PPMXHIAQRHEMAT-PHDIDXHHSA-N -1 228.208 BA -1.254 0 Anodyne ref BAAARM CN1C(=O)N(C)[C@H]2[C@@H]1NC(=O)N2CC(=O)[O-] CN1C(=O)N(C)[C@@H]2[C@H]1NC(=O)N2CC(=O)O ZINC000000356435 68/46/93/342684693 PPMXHIAQRHEMAT-WDSKDSINSA-N -1 228.208 BA -1.254 0 Anodyne ref BAAARM CN1C(=O)N(C)[C@@H]2[C@H]1NC(=O)N2CC(=O)[O-] CN1C(=O)N(C)[C@H]2[C@H]1NC(=O)N2CC(=O)O ZINC000000356436 68/47/11/342684711 PPMXHIAQRHEMAT-NTSWFWBYSA-N -1 228.208 BA -1.254 0 Anodyne ref BAAARM CN1C(=O)N(C)[C@H]2[C@H]1NC(=O)N2CC(=O)[O-] O=C(O)CCC(=O)N1CCNC(=O)C1 ZINC000000359169 86/03/31/383860331 MGEFIOXTZYMZPX-UHFFFAOYSA-N -1 200.194 BA -1.19 0 Anodyne ref BAAARM O=C([O-])CCC(=O)N1CCNC(=O)C1 O=C(O)CNC(=O)c1nc2ncccn2n1 ZINC000000373243 46/59/33/182465933 OPVKAJXZPPRJFN-UHFFFAOYSA-N -1 221.176 BA -1.061 0 Anodyne ref BAAARM O=C([O-])CNC(=O)c1nc2ncccn2n1 COCc1c(C(N)=O)nnn1-c1nonc1N ZINC000000967433 61/74/70/174617470 ODCBHLLZWBEKPP-UHFFFAOYSA-N 0 239.195 BA -1.522 0 Anodyne ref BAAARN COCc1c(C(N)=O)nnn1-c1nonc1N Cc1c(C(N)=O)nnn1-c1nonc1N ZINC000000967434 69/49/51/342694951 ACBYLGODCAHMQF-UHFFFAOYSA-N 0 209.169 BA -1.36 0 Anodyne ref BAAARN Cc1c(C(N)=O)nnn1-c1nonc1N NC(=O)C[C@H]1CS(=O)(=O)C[C@@H]1CC(N)=O ZINC000000974780 24/66/03/181246603 ZWFZJXYVCMNVLR-WDSKDSINSA-N 0 234.277 BA -1.602 0 Anodyne ref BAAARN NC(=O)C[C@H]1CS(=O)(=O)C[C@@H]1CC(N)=O O=C(O)CCNc1n[nH]c(=O)[nH]c1=O ZINC000001044112 44/83/54/182448354 XNGPOEDDHLRSKP-UHFFFAOYSA-N -2 200.154 BA -1.655 0 Anodyne ref BAAARL O=C([O-])CCNc1n[nH]c(=O)[n-]c1=O O=C(O)CCN1C(=O)N[C@H]2NC(=O)N[C@@H]21 ZINC000001066233 44/49/87/182444987 VKJHKVYLLWVYJU-RFZPGFLSSA-N -1 214.181 BA -1.549 0 Anodyne ref BAAARM O=C([O-])CCN1C(=O)N[C@H]2NC(=O)N[C@@H]21 O=C(O)CCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21 ZINC000001066235 88/96/79/383889679 VKJHKVYLLWVYJU-CRCLSJGQSA-N -1 214.181 BA -1.549 0 Anodyne ref BAAARM O=C([O-])CCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21 O=C(O)CCN1C(=O)N[C@H]2NC(=O)N[C@H]21 ZINC000001066237 88/82/23/383888223 VKJHKVYLLWVYJU-UHNVWZDZSA-N -1 214.181 BA -1.549 0 Anodyne ref BAAARM O=C([O-])CCN1C(=O)N[C@H]2NC(=O)N[C@H]21 O=C(O)CCN1C(=O)N[C@@H]2NC(=O)N[C@H]21 ZINC000001066238 88/95/07/383889507 VKJHKVYLLWVYJU-WHFBIAKZSA-N -1 214.181 BA -1.549 0 Anodyne ref BAAARM O=C([O-])CCN1C(=O)N[C@@H]2NC(=O)N[C@H]21 O=c1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000001078595 00/78/68/183007868 WYXSYVWAUAUWLD-SHUUEZRQSA-N 0 245.191 BA -3.457 2 Anodyne low BAAALN O=c1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 investigational O=c1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000001078595 00/78/61/183007861 WYXSYVWAUAUWLD-SHUUEZRQSA-N 0 245.191 BA -3.457 0 Anodyne ref BAAARN O=c1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1 investigational CC1(C)O[C@@H]([C@H](O)CO)[C@H]([C@H](O)CO)O1 ZINC000001303448 84/97/47/387849747 YCOMFYACDCWMMD-NGJRWZKOSA-N 0 222.237 BA -1.787 0 Anodyne ref BAABRN CC1(C)O[C@@H]([C@H](O)CO)[C@H]([C@H](O)CO)O1 O=c1cnn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000001422321 00/80/18/183008018 WYXSYVWAUAUWLD-RAZZTCBWSA-N 0 245.191 BA -3.457 2 Anodyne low BAAALN O=c1cnn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 in-vitro O=c1cnn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000001422321 00/80/13/183008013 WYXSYVWAUAUWLD-RAZZTCBWSA-N 0 245.191 BA -3.457 0 Anodyne ref BAAARN O=c1cnn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[n-]1 in-vitro CC(C)(CO)[C@@H](O)C(=O)NCCCO ZINC000001530303 70/24/67/342702467 SNPLKNRPJHDVJA-ZETCQYMHSA-N 0 205.254 BA -1.136 0 Anodyne ref BAAARN CC(C)(CO)[C@@H](O)C(=O)NCCCO fda endogenous Nc1nc2c(ncn2COCCO)c(=O)[nH]1 ZINC000001530555 50/19/78/346501978 MKUXAQIIEYXACX-UHFFFAOYSA-N 0 225.208 BA -1.332 0 Anodyne ref BAAARN Nc1nc2c(ncn2COCCO)c(=O)[nH]1 fda O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O ZINC000001532740 41/12/25/574411225 DSLZVSRJTYRBFB-MMPJQOAZSA-N -2 210.138 BA -3.401 0 Anodyne ref BAABRL O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)[O-] in-man endogenous O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O ZINC000001549593 52/86/28/182528628 DSLZVSRJTYRBFB-ZNIBRBMXSA-N -2 210.138 BA -3.401 0 Anodyne ref BAAARL O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-] in-man endogenous COC(=O)CS(=O)(=O)CC(=O)OC ZINC000001560532 70/29/06/342702906 XWPWFILACZRQRM-UHFFFAOYSA-N 0 210.207 BA -1.253 0 Anodyne ref BAAARN COC(=O)CS(=O)(=O)CC(=O)OC C[C@@H](N)C(=O)NCC(=O)NCC(=O)O ZINC000001575501 70/37/30/342703730 VGPWRRFOPXVGOH-SCSAIBSYSA-N -1 203.198 BA -2.349 3 Anodyne high BAAAHM C[C@@H](N)C(=O)NCC(=O)NCC(=O)[O-] in-vitro C[C@@H](N)C(=O)NCC(=O)NCC(=O)O ZINC000001575501 70/37/29/342703729 VGPWRRFOPXVGOH-SCSAIBSYSA-N 0 203.198 BA -2.349 0 Anodyne ref BAAARN C[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-] in-vitro O=S(=O)(O)C[C@@H](O)CN(CCO)CCO ZINC000001590503 70/46/42/342704642 XCBLFURAFHFFJF-ZETCQYMHSA-N -1 243.281 BA -2.478 3 Anodyne high BAAAHM O=S(=O)([O-])C[C@@H](O)CN(CCO)CCO in-vitro O=S(=O)(O)C[C@@H](O)CN(CCO)CCO ZINC000001590503 70/46/39/342704639 XCBLFURAFHFFJF-ZETCQYMHSA-N 0 243.281 BA -2.478 0 Anodyne ref BAAARN O=S(=O)([O-])C[C@@H](O)C[NH+](CCO)CCO in-vitro CC(C)(CO)NC[C@@H](O)CS(=O)(=O)O ZINC000001590504 30/12/60/259301260 ACERFIHBIWMFOR-ZCFIWIBFSA-N 0 227.282 BA -1.404 0 Anodyne ref BAAARN CC(C)(CO)[NH2+]C[C@@H](O)CS(=O)(=O)[O-] in-vitro CC(C)C[C@H](NC(=O)CNC(=O)CN)C(=O)O ZINC000001591037 30/12/43/259301243 XPJBQTCXPJNIFE-ZETCQYMHSA-N -1 245.279 BA -1.323 1 Anodyne mid BAAAMM CC(C)C[C@H](NC(=O)CNC(=O)CN)C(=O)[O-] in-vitro CC(C)C[C@H](NC(=O)CNC(=O)CN)C(=O)O ZINC000001591037 30/12/42/259301242 XPJBQTCXPJNIFE-ZETCQYMHSA-N 0 245.279 BA -1.323 0 Anodyne ref BAAARN CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])C(=O)[O-] in-vitro O=S(=O)(O)CCCNC(CO)(CO)CO ZINC000001611594 70/56/19/342705619 YNLCVAQJIKOXER-UHFFFAOYSA-N -1 243.281 BA -2.43 3 Anodyne high BAAAHM O=S(=O)([O-])CCCNC(CO)(CO)CO in-vitro O=S(=O)(O)CCCNC(CO)(CO)CO ZINC000001611594 70/56/17/342705617 YNLCVAQJIKOXER-UHFFFAOYSA-N 0 243.281 BA -2.43 0 Anodyne ref BAAARN O=S(=O)([O-])CCC[NH2+]C(CO)(CO)CO in-vitro O=S(=O)(O)CCN(CCO)CCO ZINC000001659810 70/74/19/342707419 AJTVSSFTXWNIRG-UHFFFAOYSA-N -1 213.255 BA -1.839 1 Anodyne mid BAAAMM O=S(=O)([O-])CCN(CCO)CCO in-vitro O=S(=O)(O)CCN(CCO)CCO ZINC000001659810 70/74/17/342707417 AJTVSSFTXWNIRG-UHFFFAOYSA-N 0 213.255 BA -1.839 0 Anodyne ref BAAARN O=S(=O)([O-])CC[NH+](CCO)CCO in-vitro C[C@H](N)C(=O)NCC(=O)NCC(=O)O ZINC000001669440 70/78/66/342707866 VGPWRRFOPXVGOH-BYPYZUCNSA-N -1 203.198 BA -2.349 3 Anodyne high BAAAHM C[C@H](N)C(=O)NCC(=O)NCC(=O)[O-] C[C@H](N)C(=O)NCC(=O)NCC(=O)O ZINC000001669440 70/78/65/342707865 VGPWRRFOPXVGOH-BYPYZUCNSA-N -1 203.198 BA -2.349 0 Anodyne ref BAAARM C[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-] C=CCNC(=O)[C@@H](O)[C@H](O)C(=O)NCC=C ZINC000001728346 38/69/38/166386938 ZRKLEAHGBNDKHM-YUMQZZPRSA-N 0 228.248 BA -1.687 0 Mild ref BAEARN C=CCNC(=O)[C@@H](O)[C@H](O)C(=O)NCC=C in-vitro biogenic C=CCNC(=O)[C@H](O)[C@@H](O)C(=O)NCC=C ZINC000001728347 39/05/03/166390503 ZRKLEAHGBNDKHM-HTQZYQBOSA-N 0 228.248 BA -1.687 0 Mild ref BAEARN C=CCNC(=O)[C@H](O)[C@@H](O)C(=O)NCC=C in-vitro biogenic CC(=O)NCCNC(=O)c1nonc1N ZINC000001738718 93/31/79/383933179 FTVOATUNYKNYIO-UHFFFAOYSA-N 0 213.197 BA -1.482 0 Anodyne ref BAAARN CC(=O)NCCNC(=O)c1nonc1N CN(C)CCCN[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000001771393 93/63/35/383936335 MUIAFVLRSBWMJH-IUCAKERBSA-N 0 236.337 BA -1.314 3 Anodyne high BAAAHN CN(C)CCCN[C@H]1CS(=O)(=O)C[C@@H]1O CN(C)CCCN[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000001771393 93/63/31/383936331 MUIAFVLRSBWMJH-IUCAKERBSA-N 1 236.337 BA -1.314 1 Anodyne mid BAAAMO C[NH+](C)CCCN[C@H]1CS(=O)(=O)C[C@@H]1O CN(C)CCCN[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000001771393 93/63/29/383936329 MUIAFVLRSBWMJH-IUCAKERBSA-N 1 236.337 BA -1.314 0 Anodyne ref BAAARO CN(C)CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O CN(C)CCCN[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000001771394 93/56/69/383935669 MUIAFVLRSBWMJH-BDAKNGLRSA-N 0 236.337 BA -1.314 3 Anodyne high BAAAHN CN(C)CCCN[C@@H]1CS(=O)(=O)C[C@@H]1O CN(C)CCCN[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000001771394 93/56/64/383935664 MUIAFVLRSBWMJH-BDAKNGLRSA-N 1 236.337 BA -1.314 1 Anodyne mid BAAAMO C[NH+](C)CCCN[C@@H]1CS(=O)(=O)C[C@@H]1O CN(C)CCCN[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000001771394 93/56/56/383935656 MUIAFVLRSBWMJH-BDAKNGLRSA-N 1 236.337 BA -1.314 0 Anodyne ref BAAARO CN(C)CCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O O=S1(=O)C[C@H](O)[C@@H](NCCCO)C1 ZINC000001771816 71/24/47/342712447 UVQDNFWQAJOWAG-BQBZGAKWSA-N 0 209.267 BA -1.884 1 Anodyne mid BAAAMN O=S1(=O)C[C@H](O)[C@@H](NCCCO)C1 O=S1(=O)C[C@H](O)[C@@H](NCCCO)C1 ZINC000001771816 71/24/44/342712444 UVQDNFWQAJOWAG-BQBZGAKWSA-N 1 209.267 BA -1.884 0 Anodyne ref BAAARO O=S1(=O)C[C@H](O)[C@@H]([NH2+]CCCO)C1 O=S1(=O)C[C@@H](O)[C@@H](NCCCO)C1 ZINC000001771817 71/24/59/342712459 UVQDNFWQAJOWAG-NKWVEPMBSA-N 0 209.267 BA -1.884 1 Anodyne mid BAAAMN O=S1(=O)C[C@@H](O)[C@@H](NCCCO)C1 O=S1(=O)C[C@@H](O)[C@@H](NCCCO)C1 ZINC000001771817 71/24/58/342712458 UVQDNFWQAJOWAG-NKWVEPMBSA-N 1 209.267 BA -1.884 0 Anodyne ref BAAARO O=S1(=O)C[C@@H](O)[C@@H]([NH2+]CCCO)C1 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O ZINC000001847640 24/54/79/187245479 SNEIUMQYRCDYCH-LURJTMIESA-N 0 216.241 BA -1.161 0 Anodyne ref BAAARN CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] in-man endogenous O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O ZINC000002013424 41/16/77/574411677 DSLZVSRJTYRBFB-YCAKELIYSA-N -2 210.138 BA -3.401 0 Anodyne ref BAABRL O=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-] in-man endogenous CN(C)C(=O)[C@@H](O)[C@H](O)C(=O)N(C)C ZINC000002024505 38/44/09/172384409 PCYDYHRBODKVEL-WDSKDSINSA-N 0 204.226 BA -2.115 0 Anodyne ref BAAARN CN(C)C(=O)[C@@H](O)[C@H](O)C(=O)N(C)C in-vitro NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000002040854 36/77/35/181367735 CQOVPNPJLQNMDC-ZETCQYMHSA-N 1 226.236 BA -1.13 2 Anodyne low BAAALO [NH3+]CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] world endogenous NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000002040854 36/77/34/181367734 CQOVPNPJLQNMDC-ZETCQYMHSA-N 1 226.236 BA -1.13 2 Anodyne low BAAALO [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] world endogenous NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000002040854 36/77/33/181367733 CQOVPNPJLQNMDC-ZETCQYMHSA-N 0 226.236 BA -1.13 1 Anodyne mid BAAAMN [NH3+]CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] world endogenous NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000002040854 36/77/32/181367732 CQOVPNPJLQNMDC-ZETCQYMHSA-N 0 226.236 BA -1.13 0 Anodyne ref BAAARN [NH3+]CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] world endogenous O=S(=O)(O)C[C@@H](O)CN1CCOCC1 ZINC000002149410 71/62/58/342716258 NUFBIAUZAMHTSP-ZETCQYMHSA-N 0 225.266 BA -1.433 2 Anodyne low BAAALN O=S(=O)([O-])C[C@@H](O)C[NH+]1CCOCC1 in-vitro O=S(=O)(O)C[C@@H](O)CN1CCOCC1 ZINC000002149410 71/62/55/342716255 NUFBIAUZAMHTSP-ZETCQYMHSA-N -1 225.266 BA -1.433 0 Anodyne ref BAAARM O=S(=O)([O-])C[C@@H](O)CN1CCOCC1 in-vitro O=S(=O)(O)C[C@H](O)CN1CCOCC1 ZINC000002149411 71/63/29/342716329 NUFBIAUZAMHTSP-SSDOTTSWSA-N 0 225.266 BA -1.433 2 Anodyne low BAAALN O=S(=O)([O-])C[C@H](O)C[NH+]1CCOCC1 in-vitro O=S(=O)(O)C[C@H](O)CN1CCOCC1 ZINC000002149411 71/63/28/342716328 NUFBIAUZAMHTSP-SSDOTTSWSA-N -1 225.266 BA -1.433 0 Anodyne ref BAAARM O=S(=O)([O-])C[C@H](O)CN1CCOCC1 in-vitro C=CC(=O)N[C@@H](O)[C@H](O)NC(=O)C=C ZINC000002166867 71/65/07/342716507 ZMLXKXHICXTSDM-YUMQZZPRSA-N 0 200.194 BA -1.772 0 Anodyne ref BAAARN C=CC(=O)N[C@@H](O)[C@H](O)NC(=O)C=C C=CC(=O)N[C@H](O)[C@@H](O)NC(=O)C=C ZINC000002166869 95/45/84/383954584 ZMLXKXHICXTSDM-HTQZYQBOSA-N 0 200.194 BA -1.772 0 Anodyne ref BAAARN C=CC(=O)N[C@H](O)[C@@H](O)NC(=O)C=C CC(C)(CO)NC[C@H](O)CS(=O)(=O)O ZINC000002168582 95/38/40/383953840 ACERFIHBIWMFOR-LURJTMIESA-N 0 227.282 BA -1.404 0 Anodyne ref BAAARN CC(C)(CO)[NH2+]C[C@H](O)CS(=O)(=O)[O-] in-vitro CC(=O)N[C@H](CCCNC(=N)N)C(=O)O ZINC000002169795 41/18/40/574411840 SNEIUMQYRCDYCH-ZCFIWIBFSA-N 0 216.241 BA -1.161 0 Anodyne ref BAAARN CC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-] in-vitro endogenous O=C(O)CN[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000002216763 95/62/18/383956218 STVZCHIOQLIKAY-WHFBIAKZSA-N -1 209.223 BA -2.181 3 Anodyne high BAAAHM O=C([O-])CN[C@H]1CS(=O)(=O)C[C@@H]1O O=C(O)CN[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000002216763 95/62/02/383956202 STVZCHIOQLIKAY-WHFBIAKZSA-N 0 209.223 BA -2.181 0 Anodyne ref BAAARN O=C([O-])C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O O=C(O)CN[C@H]1CS(=O)(=O)C[C@H]1O ZINC000002216764 46/75/61/182467561 STVZCHIOQLIKAY-CRCLSJGQSA-N -1 209.223 BA -2.181 3 Anodyne high BAAAHM O=C([O-])CN[C@H]1CS(=O)(=O)C[C@H]1O O=C(O)CN[C@H]1CS(=O)(=O)C[C@H]1O ZINC000002216764 46/75/59/182467559 STVZCHIOQLIKAY-CRCLSJGQSA-N 0 209.223 BA -2.181 0 Anodyne ref BAAARN O=C([O-])C[NH2+][C@H]1CS(=O)(=O)C[C@H]1O CC[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)O ZINC000002314938 33/65/64/357336564 BSZFUFJEQWHURV-RRKCRQDMSA-N -1 237.277 BA -1.403 3 Anodyne high BAAAHM CC[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)[O-] CC[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)O ZINC000002314938 33/65/45/357336545 BSZFUFJEQWHURV-RRKCRQDMSA-N 0 237.277 BA -1.403 0 Anodyne ref BAAARN CC[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)[O-] O=S1(=O)C[C@H](O)[C@@H](S(=O)(=O)O)C1 ZINC000002371866 17/20/95/370172095 ARQIGMQNYUNRHF-IMJSIDKUSA-N -1 216.236 BA -1.968 0 Anodyne ref BAAARM O=S1(=O)C[C@H](O)[C@@H](S(=O)(=O)[O-])C1 O=S1(=O)C[C@H](O)[C@H](S(=O)(=O)O)C1 ZINC000002371867 91/57/35/182915735 ARQIGMQNYUNRHF-IUYQGCFVSA-N -1 216.236 BA -1.968 0 Anodyne ref BAAARM O=S1(=O)C[C@H](O)[C@H](S(=O)(=O)[O-])C1 CC(C)C(=O)NCC(=O)NCC(=O)O ZINC000002384486 71/95/39/342719539 HZXKIWTUQWWSDX-UHFFFAOYSA-N -1 202.21 BA -1.041 0 Anodyne ref BAAARM CC(C)C(=O)NCC(=O)NCC(=O)[O-] in-vitro biogenic O=S1(=O)C[C@H](O)[C@@H](N(CCO)CCO)C1 ZINC000002395374 56/47/07/370564707 YUMQEABTFARNAP-YUMQZZPRSA-N 1 239.293 BA -2.569 2 Anodyne low BAABLO O=S1(=O)C[C@H](O)[C@@H]([NH+](CCO)CCO)C1