OC[C@@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O ZINC000000000964 41/09/16/574410916 BJRNKVDFDLYUGJ-SVNGYHJRSA-N 0 272.253 CA -1.429 0 Anodyne ref CAAARN OC[C@@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O in-man endogenous Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1 ZINC000000001505 50/29/82/169502982 IRSCQMHQWWYFCW-UHFFFAOYSA-N 0 255.234 CA -1.971 0 Anodyne ref CAAARN Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1 fda Nc1nc2c(ncn2CCC(CO)CO)c(=O)[nH]1 ZINC000000001899 75/10/35/372751035 JNTOCHDNEULJHD-UHFFFAOYSA-N 0 253.262 CA -1.307 0 Anodyne ref CAAARN Nc1nc2c(ncn2CCC(CO)CO)c(=O)[nH]1 fda OCc1ccccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000000002053 56/35/68/373563568 NGFMICBWJRZIBI-WJTVCTBASA-N 0 286.28 CA -1.642 0 Anodyne ref CAAARN OCc1ccccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O in-vitro Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O ZINC000000003837 75/10/22/372751022 HWXIGFIVGWUZAO-UHFFFAOYSA-N 0 266.257 CA -1.193 0 Anodyne ref CAAARN Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O world Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O ZINC000000006228 49/79/21/373497921 GBBJCSTXCAQSSJ-JVZYCSMKSA-N 0 260.221 CA -1.566 0 Anodyne ref CAAARN Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Cn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O ZINC000000057146 69/42/57/373694257 KSCFJBIXMNOVSH-LURJTMIESA-N 0 254.246 CA -2.213 0 Anodyne ref CAAARN Cn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O fda Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O ZINC000000057147 69/38/58/373693858 KSCFJBIXMNOVSH-ZCFIWIBFSA-N 0 254.246 CA -2.213 0 Anodyne ref CAAARN Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O fda O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC000000402859 95/05/59/372950559 VGONTNSXDCQUGY-DSYKOEDSSA-N -1 252.23 CA -1.24 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO)O1 in-vitro biogenic O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC000000402859 95/05/55/372950555 VGONTNSXDCQUGY-DSYKOEDSSA-N 0 252.23 CA -1.24 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO)O1 in-vitro biogenic OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000000518554 75/08/70/372750870 BJRNKVDFDLYUGJ-RMPHRYRLSA-N 0 272.253 CA -1.429 0 Anodyne ref CAAARN OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O in-vitro metabolite O=c1[nH]cnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1 ZINC000000525876 02/34/26/373023426 VGONTNSXDCQUGY-VQVTYTSYSA-N -1 252.23 CA -1.24 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1 in-vitro biogenic O=c1[nH]cnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1 ZINC000000525876 02/33/94/373023394 VGONTNSXDCQUGY-VQVTYTSYSA-N 0 252.23 CA -1.24 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1 in-vitro biogenic O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000000895160 64/88/22/373648822 UGQMRVRMYYASKQ-DEGSGYPDSA-N -1 268.229 CA -2.269 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O in-vitro O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000000895160 64/88/03/373648803 UGQMRVRMYYASKQ-DEGSGYPDSA-N 0 268.229 CA -2.269 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O in-vitro OC[C@@H]1O[C@@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O ZINC000000968056 41/11/21/574411121 BJRNKVDFDLYUGJ-HHHUOAJASA-N 0 272.253 CA -1.429 0 Anodyne ref CAAARN OC[C@@H]1O[C@@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O in-man endogenous Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000000970363 64/81/97/373648197 OIRDTQYFTABQOQ-UHTZMRCNSA-N 0 267.245 CA -1.98 0 Anodyne ref CAAARN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O world O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F ZINC000001078624 79/30/54/326793054 FHIDNBAQOFJWCA-UAKXSSHOSA-N -1 262.193 CA -2.713 3 Anodyne high CAAAHM O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F world O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F ZINC000001078624 79/30/53/326793053 FHIDNBAQOFJWCA-UAKXSSHOSA-N 0 262.193 CA -2.713 0 Anodyne ref CAAARN O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F world Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1 ZINC000001530600 75/41/00/372754100 VWFCHDSQECPREK-LURJTMIESA-N -2 279.189 CA -1.662 1 Anodyne mid CAAAML Nc1ccn(C[C@@H](CO)OCP(=O)([O-])[O-])c(=O)n1 fda Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1 ZINC000001530600 75/40/93/372754093 VWFCHDSQECPREK-LURJTMIESA-N -1 279.189 CA -1.662 1 Anodyne mid CAAAMM Nc1ccn(C[C@@H](CO)OC[P@](=O)([O-])O)c(=O)n1 fda Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1 ZINC000001530600 75/40/79/372754079 VWFCHDSQECPREK-LURJTMIESA-N -1 279.189 CA -1.662 0 Anodyne ref CAAARM Nc1ccn(C[C@@H](CO)OC[P@@](=O)([O-])O)c(=O)n1 fda Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000001550030 71/26/61/169712661 NYHBQMYGNKIUIF-UUOKFMHZSA-N 0 283.244 CA -2.687 0 Anodyne ref CAAARN Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 in-man endogenous Cc1cn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O ZINC000001607389 55/03/55/545550355 GBBJCSTXCAQSSJ-AYHNYZOXSA-N 0 260.221 CA -1.566 0 Anodyne ref CAAARN Cc1cn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000002169830 76/01/81/372760181 OIRDTQYFTABQOQ-KQYNXXCUSA-N 0 267.245 CA -1.98 0 Anodyne ref CAAARN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O fda endogenous NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N ZINC000003798074 91/25/91/169912591 RTRQQBHATOEIAF-UUOKFMHZSA-N 0 258.234 CA -2.824 0 Anodyne ref CAAARN NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N world O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O ZINC000003803652 76/64/00/372766400 XRASPMIURGNCCH-UHFFFAOYSA-N -4 272.09 CA -1.115 3 Anodyne high CAAAHL O=P([O-])([O-])C(O)(Cn1ccnc1)P(=O)([O-])[O-] fda OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O ZINC000003806262 65/67/97/373656797 FPVKHBSQESCIEP-JQCXWYLXSA-N 1 268.273 CA -1.18 2 Anodyne low CAAALO OC[C@H]1O[C@@H](n2c[nH+]c3c2NC=NC[C@H]3O)C[C@@H]1O fda OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O ZINC000003806262 65/67/73/373656773 FPVKHBSQESCIEP-JQCXWYLXSA-N 1 268.273 CA -1.18 0 Anodyne ref CAAARO OC[C@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)C[C@@H]1O fda NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O ZINC000003812887 76/56/29/372765629 HZQDCMWJEBCWBR-UUOKFMHZSA-N 0 259.218 CA -2.701 0 Anodyne ref CAAARN NC(=O)C1=NCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O world COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000003823492 76/66/66/372766666 IXOXBSCIXZEQEQ-UHTZMRCNSA-N 0 297.271 CA -1.971 0 Anodyne ref CAAARN COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O fda Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000003832269 65/64/82/373656482 HDZZVAMISRMYHH-KCGFPETGSA-N 1 266.257 CA -1.375 1 Anodyne mid CAAAMO Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O in-vivo Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000003832269 65/64/63/373656463 HDZZVAMISRMYHH-KCGFPETGSA-N 1 266.257 CA -1.375 0 Anodyne ref CAAARO Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O in-vivo OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000003847505 76/66/44/372766644 NGFMICBWJRZIBI-UJPOAAIJSA-N 0 286.28 CA -1.642 0 Anodyne ref CAAARN OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-man metabolite O=S(=O)(O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O ZINC000003869696 76/82/07/304768207 PRDZVHCOEWJPOB-FPRJBGLDSA-N -2 259.236 CA -3.821 3 Anodyne high CAAAHL O=S(=O)([O-])[N-][C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O O=S(=O)(O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O ZINC000003869696 76/82/06/304768206 PRDZVHCOEWJPOB-FPRJBGLDSA-N -1 259.236 CA -3.821 0 Anodyne ref CAAARM O=S(=O)([O-])N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O O=S(=O)(O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000003869698 78/53/52/372785352 PRDZVHCOEWJPOB-AIECOIEWSA-N -2 259.236 CA -3.821 3 Anodyne high CAAAHL O=S(=O)([O-])[N-][C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O O=S(=O)(O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000003869698 78/53/38/372785338 PRDZVHCOEWJPOB-AIECOIEWSA-N -1 259.236 CA -3.821 0 Anodyne ref CAAARM O=S(=O)([O-])N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O Nc1ccn([C@@H]2O[C@@H](CO)[C@H](O)C2(F)F)c(=O)n1 ZINC000003872673 76/86/34/372768634 SDUQYLNIPVEERB-JSKYLQRQSA-N 0 263.2 CA -1.289 0 Anodyne ref CAAARN Nc1ccn([C@@H]2O[C@@H](CO)[C@H](O)C2(F)F)c(=O)n1 Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000003875977 83/08/13/373830813 HBUBKKRHXORPQB-UUOKFMHZSA-N 0 285.235 CA -1.841 0 Anodyne ref CAAARN Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O in-vivo OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000003881790 76/82/37/372768237 PUQSUZTXKPLAPR-UJPOAAIJSA-N 0 286.28 CA -1.642 0 Anodyne ref CAAARN OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 in-vitro biogenic Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000003978049 92/73/60/169927360 OIRDTQYFTABQOQ-GAWUUDPSSA-N 0 267.245 CA -1.98 0 Anodyne ref CAAARN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O in-vivo NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1O ZINC000003978085 76/75/20/372767520 HZQDCMWJEBCWBR-GFRUICAKSA-N 0 259.218 CA -2.701 0 Anodyne ref CAAARN NC(=O)C1=NCN([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)C1=O in-vitro O=S(=O)(O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000004095529 76/78/48/372767848 PRDZVHCOEWJPOB-QZABAPFNSA-N -2 259.236 CA -3.821 3 Anodyne high CAAAHL O=S(=O)([O-])[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O in-man endogenous O=S(=O)(O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000004095529 76/78/40/372767840 PRDZVHCOEWJPOB-QZABAPFNSA-N -1 259.236 CA -3.821 0 Anodyne ref CAAARM O=S(=O)([O-])N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O in-man endogenous Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000004216238 94/44/80/169944480 HBUBKKRHXORPQB-FJFJXFQQSA-N 0 285.235 CA -1.841 0 Anodyne ref CAAARN Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O fda CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000004245632 94/87/54/169948754 VQAYFKKCNSOZKM-IOSLPCCCSA-N 0 281.272 CA -1.521 0 Anodyne ref CAAARN CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O in-man endogenous CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000004475270 79/02/22/372790222 VQAYFKKCNSOZKM-GZCUOZMLSA-N 0 281.272 CA -1.521 0 Anodyne ref CAABRN CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O in-vitro O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)O1 ZINC000005200349 07/55/93/170075593 VGONTNSXDCQUGY-ACZMJKKPSA-N -1 252.23 CA -1.24 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)O1 in-vitro biogenic O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)O1 ZINC000005200349 07/55/92/170075592 VGONTNSXDCQUGY-ACZMJKKPSA-N 0 252.23 CA -1.24 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)O1 in-vitro biogenic O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO)O1 ZINC000005200353 07/55/99/170075599 VGONTNSXDCQUGY-LYFYHCNISA-N -1 252.23 CA -1.24 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO)O1 in-vitro biogenic O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO)O1 ZINC000005200353 07/55/97/170075597 VGONTNSXDCQUGY-LYFYHCNISA-N 0 252.23 CA -1.24 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO)O1 in-vitro biogenic O=S(=O)(O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000005830072 14/47/95/170144795 PRDZVHCOEWJPOB-UKFBFLRUSA-N -2 259.236 CA -3.821 3 Anodyne high CAAAHL O=S(=O)([O-])[N-][C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O in-man O=S(=O)(O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000005830072 14/47/94/170144794 PRDZVHCOEWJPOB-UKFBFLRUSA-N -1 259.236 CA -3.821 0 Anodyne ref CAAARM O=S(=O)([O-])N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O in-man CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000005996558 16/61/36/170166136 VQAYFKKCNSOZKM-ICQCTTRCSA-N 0 281.272 CA -1.521 0 Anodyne ref CAABRN CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O in-vitro COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000005998706 16/66/80/170166680 IXOXBSCIXZEQEQ-KQYNXXCUSA-N 0 297.271 CA -1.971 0 Anodyne ref CAAARN COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O in-vitro Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O ZINC000006069517 17/36/56/170173656 GBBJCSTXCAQSSJ-JXOAFFINSA-N 0 260.221 CA -1.566 0 Anodyne ref CAAARN Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O in-vitro O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1F ZINC000006090974 17/49/81/170174981 FHIDNBAQOFJWCA-MNCSTQPFSA-N -1 262.193 CA -2.713 3 Anodyne high CAAAHM O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1F in-vitro O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1F ZINC000006090974 17/49/79/170174979 FHIDNBAQOFJWCA-MNCSTQPFSA-N 0 262.193 CA -2.713 0 Anodyne ref CAAARN O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1F in-vitro Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000006119283 17/74/09/170177409 NYHBQMYGNKIUIF-FTWQFJAYSA-N 0 283.244 CA -2.687 0 Anodyne ref CAAARN Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 in-vitro biogenic Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000006585367 21/62/71/170216271 NYHBQMYGNKIUIF-FJFJXFQQSA-N 0 283.244 CA -2.687 0 Anodyne ref CAAARN Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 in-vitro biogenic Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000008580514 34/17/40/170341740 OIRDTQYFTABQOQ-XJCFNFQFSA-N 0 267.245 CA -1.98 0 Anodyne ref CAAARN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O in-vitro Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000008613125 34/28/97/170342897 NYHBQMYGNKIUIF-GFRUICAKSA-N 0 283.244 CA -2.687 0 Anodyne ref CAAARN Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 in-vitro biogenic O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008652273 34/40/20/170344020 UGQMRVRMYYASKQ-WDHZHIADSA-N -1 268.229 CA -2.269 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O in-vitro O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008652273 34/40/19/170344019 UGQMRVRMYYASKQ-WDHZHIADSA-N 0 268.229 CA -2.269 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O in-vitro O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008652274 34/38/37/170343837 UGQMRVRMYYASKQ-HUEBKHCJSA-N -1 268.229 CA -2.269 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O in-vitro O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008652274 34/38/36/170343836 UGQMRVRMYYASKQ-HUEBKHCJSA-N 0 268.229 CA -2.269 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O in-vitro O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000008855117 35/73/20/170357320 UGQMRVRMYYASKQ-KQYNXXCUSA-N -1 268.229 CA -2.269 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O fda endogenous O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000008855117 35/73/18/170357318 UGQMRVRMYYASKQ-KQYNXXCUSA-N 0 268.229 CA -2.269 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O fda endogenous CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000009231864 36/74/74/170367474 VQAYFKKCNSOZKM-LEIICMHDSA-N 0 281.272 CA -1.521 0 Anodyne ref CAABRN CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O in-vitro NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000009302239 30/32/59/303303259 NDCUAPJVLWFHHB-UHNVWZDZSA-N -1 265.247 CA -1.525 0 Mild ref CAEARM NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-] fda NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1O ZINC000011616261 78/57/23/372785723 HZQDCMWJEBCWBR-FJFJXFQQSA-N 0 259.218 CA -2.701 0 Anodyne ref CAAARN NC(=O)C1=NCN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O in-vitro NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1N ZINC000011616871 78/38/46/372783846 RTRQQBHATOEIAF-FJFJXFQQSA-N 0 258.234 CA -2.824 0 Anodyne ref CAAARN NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1N in-vitro O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000012493443 78/85/31/372788531 VGONTNSXDCQUGY-RRKCRQDMSA-N -1 252.23 CA -1.24 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 in-man endogenous O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000012493443 78/85/22/372788522 VGONTNSXDCQUGY-RRKCRQDMSA-N 0 252.23 CA -1.24 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 in-man endogenous NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1N ZINC000013547762 18/69/09/260186909 RTRQQBHATOEIAF-FTWQFJAYSA-N 0 258.234 CA -2.824 0 Anodyne ref CAAARN NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1N in-vitro O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O ZINC000016951611 79/43/55/372794355 UGQMRVRMYYASKQ-CMEPRQAFSA-N -1 268.229 CA -2.269 3 Anodyne high CAAAHM O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O in-vitro O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O ZINC000016951611 79/43/48/372794348 UGQMRVRMYYASKQ-CMEPRQAFSA-N 0 268.229 CA -2.269 0 Anodyne ref CAAARN O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O in-vitro Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)C2(F)F)c(=O)n1 ZINC000017175898 50/18/39/303501839 SDUQYLNIPVEERB-UBKIQSJTSA-N 0 263.2 CA -1.289 0 Anodyne ref CAAARN Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)C2(F)F)c(=O)n1 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 ZINC000018279854 50/22/15/303502215 SDUQYLNIPVEERB-QPPQHZFASA-N 0 263.2 CA -1.289 0 Anodyne ref CAAARN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 fda O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O ZINC000019364242 06/63/75/304066375 KCXVZYZYPLLWCC-UHFFFAOYSA-N -4 292.244 CA -2.071 1 Anodyne mid CAAAML O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-] fda O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O ZINC000019364242 06/63/69/304066369 KCXVZYZYPLLWCC-UHFFFAOYSA-N -3 292.244 CA -2.071 0 Anodyne ref CAAARL O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-] fda Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000019939879 79/72/63/372797263 HBUBKKRHXORPQB-GFRUICAKSA-N 0 285.235 CA -1.841 0 Anodyne ref CAAARN Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)c(=O)n1 ZINC000021985887 34/52/04/171345204 SDUQYLNIPVEERB-PRMYIZFSSA-N 0 263.2 CA -1.289 0 Anodyne ref CAAARN Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2(F)F)c(=O)n1 in-vitro Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O ZINC000021999978 34/82/92/171348292 GBBJCSTXCAQSSJ-UTSKPXGSSA-N 0 260.221 CA -1.566 0 Anodyne ref CAAARN Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O ZINC000021999982 34/80/37/171348037 GBBJCSTXCAQSSJ-JAGXHNFQSA-N 0 260.221 CA -1.566 0 Anodyne ref CAAARN Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O in-vitro O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1F ZINC000022010055 34/87/04/171348704 FHIDNBAQOFJWCA-FZGKIIIMSA-N -1 262.193 CA -2.713 3 Anodyne high CAAAHM O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1F in-vitro O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1F ZINC000022010055 34/87/02/171348702 FHIDNBAQOFJWCA-FZGKIIIMSA-N 0 262.193 CA -2.713 0 Anodyne ref CAAARN O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1F in-vitro O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1F ZINC000022010060 34/91/89/171349189 FHIDNBAQOFJWCA-BYPJNBLXSA-N -1 262.193 CA -2.713 3 Anodyne high CAAAHM O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1F O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1F ZINC000022010060 34/91/88/171349188 FHIDNBAQOFJWCA-BYPJNBLXSA-N 0 262.193 CA -2.713 0 Anodyne ref CAAARN O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1F Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000022059332 35/15/58/171351558 HBUBKKRHXORPQB-FTWQFJAYSA-N 0 285.235 CA -1.841 0 Anodyne ref CAAARN Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O in-vitro COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000022063177 04/25/58/260042558 IXOXBSCIXZEQEQ-XJCFNFQFSA-N 0 297.271 CA -1.971 0 Anodyne ref CAABRN COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC000028471004 12/31/81/374123181 ARKKGZQTGXJVKW-RWDUTDNCSA-N 0 260.221 CA -1.485 0 Anodyne ref CAAARN C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000028568062 80/57/30/372805730 OLZAGZCCJJBKNZ-SYLRKERUSA-N 0 284.264 CA -1.322 0 Anodyne ref CAAARN O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 in-vitro biogenic Nc1ccn(C[C@H](CO)OCP(=O)(O)O)c(=O)n1 ZINC000028762983 80/43/11/372804311 VWFCHDSQECPREK-ZCFIWIBFSA-N -2 279.189 CA -1.662 1 Anodyne mid CAAAML Nc1ccn(C[C@H](CO)OCP(=O)([O-])[O-])c(=O)n1 in-man Nc1ccn(C[C@H](CO)OCP(=O)(O)O)c(=O)n1 ZINC000028762983 80/43/07/372804307 VWFCHDSQECPREK-ZCFIWIBFSA-N -1 279.189 CA -1.662 1 Anodyne mid CAAAMM Nc1ccn(C[C@H](CO)OC[P@](=O)([O-])O)c(=O)n1 in-man Nc1ccn(C[C@H](CO)OCP(=O)(O)O)c(=O)n1 ZINC000028762983 80/42/85/372804285 VWFCHDSQECPREK-ZCFIWIBFSA-N -1 279.189 CA -1.662 0 Anodyne ref CAAARM Nc1ccn(C[C@H](CO)OC[P@@](=O)([O-])O)c(=O)n1 in-man Cc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000031158791 81/02/53/372810253 YTXIGTCAQNODGD-UJPOAAIJSA-N 0 286.28 CA -1.121 0 Anodyne ref CAAARN Cc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 in-vitro biogenic C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O ZINC000040380308 90/87/51/297908751 ARKKGZQTGXJVKW-VPCXQMTMSA-N 0 260.221 CA -1.485 0 Anodyne ref CAAARN C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O in-vitro C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O ZINC000040538236 18/86/09/374188609 ARKKGZQTGXJVKW-WXKLWKFWSA-N 0 260.221 CA -1.485 0 Anodyne ref CAAARN C[C@@]1(F)[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O