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NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)C3=O)[C@H]2N=CN1 ZINC000004099143 560196440 /nfs/dbraw/zinc/19/64/40/560196440.db2.gz WZHRQXFILFZGEU-GIWSHQQXSA-N 0 0 267.245 -2.937 1 0 in-vitro CAAFRN Nc1ncnc2c([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)n[nH]c21 ZINC000004822290 560200167 /nfs/dbraw/zinc/20/01/67/560200167.db2.gz KBHMEHLJSZMEMI-DGRLJHMASA-N 0 0 267.245 -1.911 1 0 in-vitro,metabolite CAAFRN OC[C@@H]1O[C@@H](n2cnc3c2NC=NC[C@@H]3O)[C@@H](O)[C@@H]1O ZINC000005373637 560201560 /nfs/dbraw/zinc/20/15/60/560201560.db2.gz YOOVTUPUBVHMPG-SNYSTDSYSA-N 0 0 284.272 -2.209 1 0 in-vitro,metabolite CAAFRN Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000008551718 560209420 /nfs/dbraw/zinc/20/94/20/560209420.db2.gz XKQZIXVJVUPORE-RVJQKOHUSA-N 0 0 276.249 -3.868 1 0 endogenous,in-vitro CAAFRN OCC1=C[C@@H](n2cnc3c2NC=NC[C@@H]3O)[C@@H](O)[C@@H]1O ZINC000013308057 560214125 /nfs/dbraw/zinc/21/41/25/560214125.db2.gz WJSAFKJWCOMTLH-JZSSXWJLSA-N 0 0 280.284 -1.625 1 0 in-vitro CAAFRN O=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H]1C[C@@H](O)CN1 ZINC000014507882 571711798 /nfs/dbraw/zinc/71/17/98/571711798.db2.gz GUEWQMQDXXTGGY-HALYPJJHSA-N 0 0 293.272 -3.948 1 0 endogenous,in-man CAAFRN NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)[O-] ZINC000033976928 571747554 /nfs/dbraw/zinc/74/75/54/571747554.db2.gz NPDLYUOYAGBHFB-NTSWFWBYSA-N 0 0 288.308 -2.978 1 0 endogenous,in-vitro CAAFRN NC(=O)CC[C@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034022547 571748481 /nfs/dbraw/zinc/74/84/81/571748481.db2.gz CTCFZNBRZBNKAX-SFYZADRCSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN NC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000033995142 571749114 /nfs/dbraw/zinc/74/91/14/571749114.db2.gz WSDOHRLQDGAOGU-NKWVEPMBSA-N 0 0 269.261 -2.276 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000034361788 571751571 /nfs/dbraw/zinc/75/15/71/571751571.db2.gz DXJZITDUDUPINW-UHNVWZDZSA-N 0 0 260.250 -2.976 1 0 endogenous,in-man CAAFRN Cn1c(=O)ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1=O ZINC000004556978 571687155 /nfs/dbraw/zinc/68/71/55/571687155.db2.gz UTQUILVPBZEHTK-DHJWIAQBSA-N 0 0 258.230 -2.842 1 0 endogenous,in-man CAAFRN C[NH2+][C@H](CCc1ncc(C[C@H]([NH3+])C(=O)[O-])[nH]1)C(=O)[O-] ZINC000005888070 571690227 /nfs/dbraw/zinc/69/02/27/571690227.db2.gz YBMOTEQVMANKGX-JGVFFNPUSA-N 0 0 270.289 -1.031 1 0 endogenous,in-man CAAFRN [NH3+][C@H](CCc1ncc(C[C@H]([NH3+])C(=O)[O-])[nH]1)C(=O)[O-] ZINC000005955041 571690486 /nfs/dbraw/zinc/69/04/86/571690486.db2.gz CJCSNWWKPUXVRD-RQJHMYQMSA-N 0 0 256.262 -1.291 1 0 endogenous,in-man CAAFRN CCOC(=O)C[C@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014444618 571707220 /nfs/dbraw/zinc/70/72/20/571707220.db2.gz HEBPYQNXDMDRKR-OVDQFHLMSA-N 0 0 294.300 -1.855 1 0 endogenous,in-man CAAFRN CSCC[C@@H](NC(=O)[C@H]([NH3+])CCC(N)=O)C(=O)[O-] ZINC000050027609 571768399 /nfs/dbraw/zinc/76/83/99/571768399.db2.gz SIGGQAHUPUBWNF-RNFRBKRXSA-N 0 0 277.346 -1.098 1 0 endogenous,in-man CAAFRN [NH3+][C@H](C[C@H](O)C(=O)N[C@@H]1OCC=C1CO)C(=O)[O-] ZINC000014635163 571717134 /nfs/dbraw/zinc/71/71/34/571717134.db2.gz FKPGGSOHTXQOGP-BKPPORCPSA-N 0 0 260.246 -2.460 1 0 endogenous,in-man CAAFRN C[C@@H]1OC(=O)C=C[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015044525 571729090 /nfs/dbraw/zinc/72/90/90/571729090.db2.gz KZOPXYPPFZYEHT-MSBHKFKISA-N 0 0 290.268 -2.327 1 0 endogenous,in-man CAAFRN O=C1C=C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N1 ZINC000015044716 571729147 /nfs/dbraw/zinc/72/91/47/571729147.db2.gz CAXBOXWWAIDBMS-JIAUGHCNSA-N 0 0 261.230 -3.185 1 0 endogenous,in-man CAAFRN C[C@@]1(O)C(=O)NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@@H]1O ZINC000033650330 571746073 /nfs/dbraw/zinc/74/60/73/571746073.db2.gz RKEITGVZZHXKON-ZTOQJESFSA-N 0 0 276.245 -2.720 1 0 endogenous,in-man CAAFRN C[C@H](O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000050027108 571766424 /nfs/dbraw/zinc/76/64/24/571766424.db2.gz WRPDZHJNLYNFFT-APQOSEDMSA-N 0 0 256.262 -1.770 1 0 endogenous,in-vitro CAAFRN NC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000050027578 571768229 /nfs/dbraw/zinc/76/82/29/571768229.db2.gz JZOYFBPIEHCDFV-SFYZADRCSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN CSCC[C@H](NC(=O)[C@H]([NH3+])CCC(N)=O)C(=O)[O-] ZINC000050027563 571768360 /nfs/dbraw/zinc/76/83/60/571768360.db2.gz SIGGQAHUPUBWNF-RQJHMYQMSA-N 0 0 277.346 -1.098 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000050027624 571768491 /nfs/dbraw/zinc/76/84/91/571768491.db2.gz JZOYFBPIEHCDFV-HTQZYQBOSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN CSCC[C@H](N)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000095617774 571796206 /nfs/dbraw/zinc/79/62/06/571796206.db2.gz YVSZXQHOADMOLO-BQBZGAKWSA-N 0 0 277.346 -1.098 1 0 endogenous,in-man CAAFRN CSCC[C@@H](N)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000095617775 571796020 /nfs/dbraw/zinc/79/60/20/571796020.db2.gz YVSZXQHOADMOLO-RQJHMYQMSA-N 0 0 277.346 -1.098 1 0 endogenous,in-man CAAFRN O=C([O-])[C@@H]1C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[NH2+]1 ZINC000100771596 571814062 /nfs/dbraw/zinc/81/40/62/571814062.db2.gz OJEYXWIZDRJBDC-YOLLOXEPSA-N 0 0 293.272 -3.382 1 0 endogenous,in-man CAAFRN [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000261498881 571863168 /nfs/dbraw/zinc/86/31/68/571863168.db2.gz WEUKYXZXBBLBOY-HLTSFMKQSA-N 0 0 268.273 -1.674 1 0 endogenous,in-vitro CAAFRN [NH3+][C@@H](CCCCNC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)[O-] ZINC000002564474 574411896 /nfs/dbraw/zinc/41/18/96/574411896.db2.gz HDIUZRCBILKQEH-BQBZGAKWSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN Nc1nc(=O)c2c([nH]1)NC[C@H]([C@H](O)[C@H](O)CO)N2 ZINC000005114090 574412420 /nfs/dbraw/zinc/41/24/20/574412420.db2.gz XHIXPVCTDRNTTC-KODRXGBYSA-N 0 0 257.250 -2.728 1 0 endogenous,in-man CAAFRN [NH3+][C@H](CC(=O)NCCCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000050027975 574415204 /nfs/dbraw/zinc/41/52/04/574415204.db2.gz VNJVIQOAVBMTIB-NKWVEPMBSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN [NH3+][C@H](CCC(=O)[O-])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-] ZINC000050027969 574415206 /nfs/dbraw/zinc/41/52/06/574415206.db2.gz DRGKVKLJFBFMED-SFYZADRCSA-N 0 0 275.305 -1.123 1 0 endogenous,in-vitro CAAFRN C[C@@H](O)[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000069486018 574415601 /nfs/dbraw/zinc/41/56/01/574415601.db2.gz WXVIGTAUZBUDPZ-LPBLVHEISA-N 0 0 256.262 -1.770 1 0 endogenous,in-vitro CAAFRN NC(=O)CC[C@H]([NH3+])C(=O)NC(CC(N)=O)C(=O)[O-] ZINC000100386398 574417553 /nfs/dbraw/zinc/41/75/53/574417553.db2.gz GEGSDGAFIIZDFA-BYPYZUCNSA-N 0 0 260.250 -2.144 1 0 endogenous,in-vitro CAAFRN NC(=O)CCC(NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)[O-] ZINC000100386420 574417557 /nfs/dbraw/zinc/41/75/57/574417557.db2.gz SUXSHSUZJLEPHZ-YFKPBYRVSA-N 0 0 274.277 -1.754 1 0 endogenous,in-vitro CAAFRN NC(=O)CC[C@H]([NH3+])C(=O)NC(Cc1c[nH]cn1)C(=O)[O-] ZINC000100386441 574417583 /nfs/dbraw/zinc/41/75/83/574417583.db2.gz JVWXUMYBRQZASY-ZETCQYMHSA-N 0 0 283.288 -1.054 1 0 endogenous,in-vitro CAAFRN NC(=O)CC(NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000100386754 574417687 /nfs/dbraw/zinc/41/76/87/574417687.db2.gz RKIBATPZOOEGKQ-ZCFIWIBFSA-N 0 0 269.261 -1.444 1 0 endogenous,in-vitro CAAFRN NC(=O)CCC(NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000100386773 574417694 /nfs/dbraw/zinc/41/76/94/574417694.db2.gz WQHSKNJIRMTCEP-ZETCQYMHSA-N 0 0 283.288 -1.054 1 0 endogenous,in-vitro CAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@@H](CO)[C@H](O)[C@H]1O ZINC000058638705 581100325 /nfs/dbraw/zinc/10/03/25/581100325.db2.gz UGRNVLGKAGREKS-FAYXRDSDSA-N 0 0 265.273 -1.316 1 0 in-vitro CAAFRN Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@@H]1F ZINC000003781661 581100411 /nfs/dbraw/zinc/10/04/11/581100411.db2.gz LFSGVDMIBZBPPJ-HRJHIDMESA-N 0 0 283.263 -1.368 1 0 CAAFRN Cc1cn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O ZINC000029321533 581094081 /nfs/dbraw/zinc/09/40/81/581094081.db2.gz GBBJCSTXCAQSSJ-BMLSCUAFSA-N 0 0 260.221 -1.566 1 0 CAAFRN CCc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O ZINC000029332927 581094114 /nfs/dbraw/zinc/09/41/14/581094114.db2.gz SWFJAJRDLUUIOA-GHCJXIJMSA-N 0 0 274.248 -1.312 1 0 CAAFRN Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O ZINC000002572672 581094147 /nfs/dbraw/zinc/09/41/47/581094147.db2.gz GBBJCSTXCAQSSJ-AZRUVXNYSA-N 0 0 260.221 -1.566 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O ZINC000003788179 581100457 /nfs/dbraw/zinc/10/04/57/581100457.db2.gz VFKHECGAEJNAMV-HETMPLHPSA-N 0 0 251.246 -1.564 1 0 in-vivo CAAFRN Nc1ncnc2c1ncn2[C@@H]1[C@H](F)[C@H](CO)[C@@H](O)[C@H]1O ZINC000003781658 581100356 /nfs/dbraw/zinc/10/03/56/581100356.db2.gz LFSGVDMIBZBPPJ-QCFOWSJWSA-N 0 0 283.263 -1.368 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)[C@@H]1F ZINC000034130808 581100359 /nfs/dbraw/zinc/10/03/59/581100359.db2.gz LFSGVDMIBZBPPJ-YQMRSAKASA-N 0 0 283.263 -1.368 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](O)[C@@H]1O ZINC000034427511 581100400 /nfs/dbraw/zinc/10/04/00/581100400.db2.gz VFKHECGAEJNAMV-APOSLCTFSA-N 0 0 251.246 -1.564 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O ZINC000027078328 581100408 /nfs/dbraw/zinc/10/04/08/581100408.db2.gz VFKHECGAEJNAMV-ROHCDXGRSA-N 0 0 251.246 -1.564 1 0 CAAFRN Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](O)[C@@H]1O ZINC000027078334 581100422 /nfs/dbraw/zinc/10/04/22/581100422.db2.gz VFKHECGAEJNAMV-MGVQOFIGSA-N 0 0 251.246 -1.564 1 0 CAAFRN Nc1ncnc2c1ncn2[C@H]1C[C@H](CO)[C@H](O)[C@@H]1O ZINC000003871601 581100430 /nfs/dbraw/zinc/10/04/30/581100430.db2.gz UGRNVLGKAGREKS-CRYJXSNHSA-N 0 0 265.273 -1.316 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]1O ZINC000025984259 581100442 /nfs/dbraw/zinc/10/04/42/581100442.db2.gz VFKHECGAEJNAMV-SJNFNFGESA-N 0 0 251.246 -1.564 1 0 CAAFRN Nc1nc2c(CN[C@H](CO)[C@H](O)CO)c[nH]c2c(=O)[nH]1 ZINC000040901572 581100455 /nfs/dbraw/zinc/10/04/55/581100455.db2.gz GOKSFCVRRRIUIY-RNFRBKRXSA-N 0 0 283.288 -1.951 1 0 CAAFRN NC(=O)c1[nH]nc([C@@H]2N[C@H](CO)[C@H](O)[C@@H]2O)c1N ZINC000029340087 581100944 /nfs/dbraw/zinc/10/09/44/581100944.db2.gz OCJZNDIBMCCZDH-MITDHBFTSA-N 0 0 257.250 -3.182 1 0 CAAFRN O=c1[nH]cnc2c(CN3C[C@H](O)[C@@H](CO)C3)n[nH]c21 ZINC000013529872 581101346 /nfs/dbraw/zinc/10/13/46/581101346.db2.gz SLIJUTHLNPWRDL-SVRRBLITSA-N 0 0 265.273 -1.157 1 0 in-vivo CAAFRN Nc1nc(C(=O)NCCO)c(N)nc1C(=O)NCCO ZINC000082149055 177924152 /nfs/dbraw/zinc/92/41/52/177924152.db2.gz BORYQYVJTOHOLL-UHFFFAOYSA-N 0 0 284.276 -2.915 1 0 CAAFRN NC1=NC(=O)C2=C(CN[C@@H]3C=C[C@@H](O)[C@@H]3O)C=NC2=N1 ZINC000003870189 230367823 /nfs/dbraw/zinc/36/78/23/230367823.db2.gz LAIOPTKSQBPSHG-ZXFLCMHBSA-N 0 0 275.268 -2.129 1 0 in-vitro,metabolite CAAFRN NC1=NC(=O)[C@H]2[C@H](N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 ZINC000095607493 185014916 /nfs/dbraw/zinc/01/49/16/185014916.db2.gz UZYDRUGLLKATSS-FMGWEMOISA-N 0 0 297.271 -3.493 1 0 CAAFRN NC1=NC(=O)[C@@H]2[C@@H](N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 ZINC000095607494 185015622 /nfs/dbraw/zinc/01/56/22/185015622.db2.gz UZYDRUGLLKATSS-WCMLQCRESA-N 0 0 297.271 -3.493 1 0 CAAFRN N[C@@H](Cc1c[nH]cn1)C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617752 185016008 /nfs/dbraw/zinc/01/60/08/185016008.db2.gz PFZUBGMULASFDW-SFYZADRCSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000095617745 185016196 /nfs/dbraw/zinc/01/61/96/185016196.db2.gz WEUKYXZXBBLBOY-IWSPIJDZSA-N 0 0 268.273 -1.674 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@H](N)C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617718 185016257 /nfs/dbraw/zinc/01/62/57/185016257.db2.gz YWPMFELGYPTDIO-NTSWFWBYSA-N 0 0 274.277 -2.586 1 0 endogenous,in-man CAAFRN C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095614511 185016300 /nfs/dbraw/zinc/01/63/00/185016300.db2.gz METOOOPOWVLDNT-KIEKWIABSA-N 0 0 281.272 -1.592 1 0 CAAFRN 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261.234 -2.952 1 0 biogenic,in-vitro CAAFRN OCC1=C[C@@H](n2cnc3c2NC=NC[C@@H]3O)[C@@H](O)[C@H]1O ZINC000001482377 560180702 /nfs/dbraw/zinc/18/07/02/560180702.db2.gz WJSAFKJWCOMTLH-YKDSUIRESA-N 0 0 280.284 -1.625 1 0 in-vitro CAAFRN Cc1cn([C@@H]2O[C@@]3(CO)CO[C@@H]2[C@@H]3O)c(=O)nc1N ZINC000006504946 560205994 /nfs/dbraw/zinc/20/59/94/560205994.db2.gz NELYIRACPIJATH-SZVQBCOZSA-N 0 0 269.257 -1.846 1 0 in-vitro CAAFRN OC[C@@H]1O[C@@H](n2cnc3c2NC=NC[C@@H]3O)[C@H](O)[C@@H]1O ZINC000005373632 560201530 /nfs/dbraw/zinc/20/15/30/560201530.db2.gz YOOVTUPUBVHMPG-IXERTSGWSA-N 0 0 284.272 -2.209 1 0 in-vitro,metabolite CAAFRN Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)o1 ZINC000005975209 560204049 /nfs/dbraw/zinc/20/40/49/560204049.db2.gz PWVUOVPUCZNICU-ZIYNGMLESA-N 0 0 284.228 -2.422 1 0 in-vitro CAAFRN O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000013514113 560218078 /nfs/dbraw/zinc/21/80/78/560218078.db2.gz LVFCLUMIBMHAFL-HMUNZLOLSA-N 0 0 284.264 -1.357 1 0 in-vitro CAAFRN Nc1ncnc2c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)n[nH]c21 ZINC000013515313 560218142 /nfs/dbraw/zinc/21/81/42/560218142.db2.gz KBHMEHLJSZMEMI-ZQLUKILPSA-N 0 0 267.245 -1.911 1 0 in-vitro,metabolite CAAFRN Nc1nc(=O)c2c([nH]1)NC[C@H]([C@@H](O)[C@@H](O)CO)N2 ZINC000013523441 560218599 /nfs/dbraw/zinc/21/85/99/560218599.db2.gz XHIXPVCTDRNTTC-ALEPSDHESA-N 0 0 257.250 -2.728 1 0 endogenous,in-vitro CAAFRN OC[C@H]1O[C@@H](Oc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013542492 560219258 /nfs/dbraw/zinc/21/92/58/560219258.db2.gz NEZJDVYDSZTRFS-LDMBFOFVSA-N 0 0 256.254 -1.135 1 0 in-vitro CAAFRN C/C=C/[C@H](O)[C@H](O)/C=C/C(=O)OC[C@@H]1COC(=O)[C@@H]1O ZINC000014611268 560222958 /nfs/dbraw/zinc/22/29/58/560222958.db2.gz JHQCSIROSIRYBV-SDKJEUEASA-N 0 0 286.280 -1.082 1 0 in-vitro CAAFRN [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](O)[C@H]1C(=O)[O-] ZINC000012495546 571694910 /nfs/dbraw/zinc/69/49/10/571694910.db2.gz HVIBGVJOBJJPFB-NRPADANISA-N 0 0 285.300 -2.018 1 0 endogenous,in-man CAAFRN O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H]1C[C@@H](O)CN1 ZINC000014507878 571711909 /nfs/dbraw/zinc/71/19/09/571711909.db2.gz GUEWQMQDXXTGGY-XTEZKWSXSA-N 0 0 293.272 -3.948 1 0 endogenous,in-man CAAFRN C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000027206940 571740700 /nfs/dbraw/zinc/74/07/00/571740700.db2.gz WXVIGTAUZBUDPZ-DTLFHODZSA-N 0 0 256.262 -1.770 1 0 endogenous,in-man CAAFRN C[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034002928 571748754 /nfs/dbraw/zinc/74/87/54/571748754.db2.gz WRPDZHJNLYNFFT-DTLFHODZSA-N 0 0 256.262 -1.770 1 0 endogenous,in-vitro CAAFRN NC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034018549 571748840 /nfs/dbraw/zinc/74/88/40/571748840.db2.gz CTCFZNBRZBNKAX-YUMQZZPRSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034022548 571748885 /nfs/dbraw/zinc/74/88/85/571748885.db2.gz CTCFZNBRZBNKAX-JGVFFNPUSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN NC(=O)C[C@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000033995141 571748968 /nfs/dbraw/zinc/74/89/68/571748968.db2.gz WSDOHRLQDGAOGU-RQJHMYQMSA-N 0 0 269.261 -2.276 1 0 endogenous,in-man CAAFRN CCOC(=O)C[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014444616 571707428 /nfs/dbraw/zinc/70/74/28/571707428.db2.gz HEBPYQNXDMDRKR-CINVBWLASA-N 0 0 294.300 -1.855 1 0 endogenous,in-man CAAFRN [NH3+][C@H](C[C@@H](O)C(=O)N[C@@H]1OCC=C1CO)C(=O)[O-] ZINC000014635160 571717232 /nfs/dbraw/zinc/71/72/32/571717232.db2.gz FKPGGSOHTXQOGP-ZXFLCMHBSA-N 0 0 260.246 -2.460 1 0 endogenous,in-man CAAFRN C[C@@H]1OC(=O)C=C[C@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015044532 571729160 /nfs/dbraw/zinc/72/91/60/571729160.db2.gz KZOPXYPPFZYEHT-JWTXNQARSA-N 0 0 290.268 -2.327 1 0 endogenous,in-man CAAFRN O=C1C=C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N1 ZINC000015044709 571729181 /nfs/dbraw/zinc/72/91/81/571729181.db2.gz CAXBOXWWAIDBMS-GAFYYQADSA-N 0 0 261.230 -3.185 1 0 endogenous,in-man CAAFRN C[C@]1(O)C(=O)NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@H]1O ZINC000033650329 571745992 /nfs/dbraw/zinc/74/59/92/571745992.db2.gz RKEITGVZZHXKON-LFOMBHIWSA-N 0 0 276.245 -2.720 1 0 endogenous,in-man CAAFRN CSCC[C@H](NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)[O-] ZINC000040439667 571762081 /nfs/dbraw/zinc/76/20/81/571762081.db2.gz SIGGQAHUPUBWNF-BQBZGAKWSA-N 0 0 277.346 -1.098 1 0 endogenous,in-man CAAFRN O=C([O-])[C@@H]1C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[NH2+]1 ZINC000100771595 571813886 /nfs/dbraw/zinc/81/38/86/571813886.db2.gz OJEYXWIZDRJBDC-GWUVRYGSSA-N 0 0 293.272 -3.382 1 0 endogenous,in-man CAAFRN O=C([O-])[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[NH2+]1 ZINC000100771593 571814094 /nfs/dbraw/zinc/81/40/94/571814094.db2.gz OJEYXWIZDRJBDC-JQGBNNLQSA-N 0 0 293.272 -3.382 1 0 endogenous,in-man CAAFRN C[C@@H](O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000069485847 574048873 /nfs/dbraw/zinc/04/88/73/574048873.db2.gz WRPDZHJNLYNFFT-MHSYXAOVSA-N 0 0 256.262 -1.770 1 0 endogenous,in-vitro CAAFRN Nc1nc(=O)c2c([nH]1)NC[C@H]([C@@H](O)[C@H](O)CO)N2 ZINC000005114091 574412425 /nfs/dbraw/zinc/41/24/25/574412425.db2.gz XHIXPVCTDRNTTC-ZMIZWQJLSA-N 0 0 257.250 -2.728 1 0 endogenous,in-man CAAFRN Nc1nc2c(c(=O)[nH]1)N[C@H]([C@H](O)[C@@H](O)CO)[C@@H](O)N2O ZINC000031259181 574414014 /nfs/dbraw/zinc/41/40/14/574414014.db2.gz KQZRTOGFDRQBSR-YFIOLWERSA-N 0 0 289.248 -3.626 1 0 endogenous,in-vitro CAAFRN [NH3+]CCCC[C@H](NC(=O)C[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000032790154 574414072 /nfs/dbraw/zinc/41/40/72/574414072.db2.gz QGNYWQOMJSTUQZ-RQJHMYQMSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN [NH3+]CCCC[C@@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000032790156 574414085 /nfs/dbraw/zinc/41/40/85/574414085.db2.gz QGNYWQOMJSTUQZ-NKWVEPMBSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN [NH3+]CCCC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000034264941 574414213 /nfs/dbraw/zinc/41/42/13/574414213.db2.gz LNLLNTMHVMIMOG-HTQZYQBOSA-N 0 0 275.305 -1.123 1 0 endogenous,in-vitro CAAFRN C[C@@H](O)[C@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034279674 574414224 /nfs/dbraw/zinc/41/42/24/574414224.db2.gz WRPDZHJNLYNFFT-NJUXHZRNSA-N 0 0 256.262 -1.770 1 0 endogenous,in-man CAAFRN C[C@H](O)[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034279675 574414231 /nfs/dbraw/zinc/41/42/31/574414231.db2.gz WRPDZHJNLYNFFT-UIISKDMLSA-N 0 0 256.262 -1.770 1 0 endogenous,in-man CAAFRN NC(=[NH2+])NCCC[C@@H](NC(=O)C[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000050027289 574414949 /nfs/dbraw/zinc/41/49/49/574414949.db2.gz QCGCETFHYOEVAI-PHDIDXHHSA-N 0 0 289.292 -2.379 1 0 endogenous,in-vitro CAAFRN [NH3+][C@H](CCCCNC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)[O-] ZINC000050027977 574415229 /nfs/dbraw/zinc/41/52/29/574415229.db2.gz HDIUZRCBILKQEH-RNFRBKRXSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN C[C@H](O)[C@H](O)[C@H]1CN=C2NC(N)=NC(=O)[C@@]2(O)N1 ZINC000095661187 574417121 /nfs/dbraw/zinc/41/71/21/574417121.db2.gz KJKIEFUPAPPGBC-PGRQXVTRSA-N 0 0 257.250 -3.769 1 0 endogenous,in-vitro CAAFRN NC(=O)C[C@H](N)C(=O)NC(CCCC[NH3+])C(=O)[O-] ZINC000100386082 574417432 /nfs/dbraw/zinc/41/74/32/574417432.db2.gz TUBQAKRUWLJUDH-LURJTMIESA-N 0 0 260.294 -1.281 1 0 endogenous,in-vitro CAAFRN NC(=O)CC[C@@H]([NH3+])C(=O)NC(Cc1c[nH]cn1)C(=O)[O-] ZINC000100386439 574417575 /nfs/dbraw/zinc/41/75/75/574417575.db2.gz JVWXUMYBRQZASY-SSDOTTSWSA-N 0 0 283.288 -1.054 1 0 endogenous,in-vitro CAAFRN NC(=O)CC(NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000100386759 574417701 /nfs/dbraw/zinc/41/77/01/574417701.db2.gz RKIBATPZOOEGKQ-LURJTMIESA-N 0 0 269.261 -1.444 1 0 endogenous,in-vitro CAAFRN Nc1ncnc2c1ncn2[C@H]1[C@@H](O)[C@H](O)[C@H](CO)[C@@H]1F ZINC000034130810 581100323 /nfs/dbraw/zinc/10/03/23/581100323.db2.gz LFSGVDMIBZBPPJ-RVKVMSFUSA-N 0 0 283.263 -1.368 1 0 CAAFRN CCc1cn([C@@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O ZINC000036093403 581094052 /nfs/dbraw/zinc/09/40/52/581094052.db2.gz SWFJAJRDLUUIOA-PYHGXSLLSA-N 0 0 274.248 -1.312 1 0 CAAFRN CCc1cn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O ZINC000029332922 581094080 /nfs/dbraw/zinc/09/40/80/581094080.db2.gz SWFJAJRDLUUIOA-AZQAYCESSA-N 0 0 274.248 -1.312 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O ZINC000025984277 581100409 /nfs/dbraw/zinc/10/04/09/581100409.db2.gz VFKHECGAEJNAMV-IXROVEORSA-N 0 0 251.246 -1.564 1 0 CAAFRN NC(=O)c1[nH]nc([C@H]2N[C@H](CO)[C@H](O)[C@@H]2O)c1N ZINC000029340090 581100954 /nfs/dbraw/zinc/10/09/54/581100954.db2.gz OCJZNDIBMCCZDH-ZTQWCTEFSA-N 0 0 257.250 -3.182 1 0 CAAFRN NC1=NC(=O)C2=C(CN[C@@H]3C=C[C@@H](O)[C@H]3O)C=NC2=N1 ZINC000003870191 230367827 /nfs/dbraw/zinc/36/78/27/230367827.db2.gz LAIOPTKSQBPSHG-BHNWBGBOSA-N 0 0 275.268 -2.129 1 0 in-vitro,metabolite CAAFRN NC1=NC(=O)C2=C(CN[C@@H]3C=C[C@H](O)[C@H]3O)C=NC2=N1 ZINC000003870190 230367836 /nfs/dbraw/zinc/36/78/36/230367836.db2.gz LAIOPTKSQBPSHG-FJXKBIBVSA-N 0 0 275.268 -2.129 1 0 in-vitro,metabolite CAAFRN NC1=NC(=O)C2=C(CN[C@@H]3C=C[C@H](O)[C@@H]3O)C=NC2=N1 ZINC000003870188 230367847 /nfs/dbraw/zinc/36/78/47/230367847.db2.gz LAIOPTKSQBPSHG-BKPPORCPSA-N 0 0 275.268 -2.129 1 0 in-vitro,metabolite CAAFRN NC1=NC(=O)[C@@H]2[C@H](N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 ZINC000095607495 185016224 /nfs/dbraw/zinc/01/62/24/185016224.db2.gz UZYDRUGLLKATSS-SHGPDSBTSA-N 0 0 297.271 -3.493 1 0 CAAFRN NC(=O)CC[C@@H](N)C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617719 185016252 /nfs/dbraw/zinc/01/62/52/185016252.db2.gz YWPMFELGYPTDIO-PHDIDXHHSA-N 0 0 274.277 -2.586 1 0 endogenous,in-man CAAFRN [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000095617747 185016262 /nfs/dbraw/zinc/01/62/62/185016262.db2.gz WEUKYXZXBBLBOY-DJLDLDEBSA-N 0 0 268.273 -1.674 1 0 endogenous,in-man CAAFRN N[C@H](Cc1c[nH]cn1)C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617753 185016552 /nfs/dbraw/zinc/01/65/52/185016552.db2.gz PFZUBGMULASFDW-HTQZYQBOSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN CC(C)COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])[C@H](C)O ZINC000096902549 185127284 /nfs/dbraw/zinc/12/72/84/185127284.db2.gz MMZWGOHBSMLSIA-OYNCUSHFSA-N 0 0 290.316 -1.147 1 0 CAAFRN CCC[C@H](O)[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)OC ZINC000096902540 185127858 /nfs/dbraw/zinc/12/78/58/185127858.db2.gz WVFHKKPEMSBQKT-FJXKBIBVSA-N 0 0 276.289 -1.393 1 0 CAAFRN O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O ZINC000096902607 185128120 /nfs/dbraw/zinc/12/81/20/185128120.db2.gz HFCJFGBQJDHOTD-JVZYCSMKSA-N 0 0 274.204 -2.062 1 0 CAAFRN CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])[C@H](C)O ZINC000096902640 185128231 /nfs/dbraw/zinc/12/82/31/185128231.db2.gz DJHNPYOORSIIJS-VMHSAVOQSA-N 0 0 262.262 -1.783 1 0 CAAFRN COC(=O)C1=C[C@@H](O)CN(Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000096910944 185129252 /nfs/dbraw/zinc/12/92/52/185129252.db2.gz XGHVQRUGHKPZNH-SECBINFHSA-N 0 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ZINC000001559997 560182277 /nfs/dbraw/zinc/18/22/77/560182277.db2.gz QPVLKMICBYRPSX-UHTZMRCNSA-N 0 0 269.236 -1.003 1 0 in-vitro CAAFRN Cc1c(C[C@@]2(C)C(=O)NC(=O)N[C@H]2CO)[nH]c(=O)[nH]c1=O ZINC000003834172 560189914 /nfs/dbraw/zinc/18/99/14/560189914.db2.gz KBBKHMIEEMSXSM-JVXZTZIISA-N 0 0 296.283 -1.879 1 0 in-vitro CAAFRN NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)C3=O)[C@@H]2N=CN1 ZINC000004099142 560196419 /nfs/dbraw/zinc/19/64/19/560196419.db2.gz WZHRQXFILFZGEU-HRPRGUDVSA-N 0 0 267.245 -2.937 1 0 in-vitro CAAFRN Nc1ncnc2c([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)n[nH]c21 ZINC000004822293 560200171 /nfs/dbraw/zinc/20/01/71/560200171.db2.gz KBHMEHLJSZMEMI-JXZMSUHUSA-N 0 0 267.245 -1.911 1 0 in-vitro,metabolite CAAFRN OC[C@@H]1O[C@H](n2cnc3c2NC=NC[C@@H]3O)[C@H](O)[C@@H]1O ZINC000005373629 560201568 /nfs/dbraw/zinc/20/15/68/560201568.db2.gz YOOVTUPUBVHMPG-UVWAWMSZSA-N 0 0 284.272 -2.209 1 0 in-vitro,metabolite CAAFRN OC[C@@H]1O[C@H](n2cnc3c2NC=NC[C@@H]3O)[C@@H](O)[C@@H]1O ZINC000005373634 560201574 /nfs/dbraw/zinc/20/15/74/560201574.db2.gz YOOVTUPUBVHMPG-KMTXQBQMSA-N 0 0 284.272 -2.209 1 0 in-vitro,metabolite CAAFRN C[C@@H](O)[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000006036913 560204686 /nfs/dbraw/zinc/20/46/86/560204686.db2.gz ZLXYJEYKAQYNPV-DBMRJWAYSA-N 0 0 252.263 -2.428 1 0 biogenic,in-vitro CAAFRN C[C@@H](O)[C@H](O)[C@@H]1CN=C2NC(N)=NC(=O)[C@@]2(O)N1 ZINC000012495756 560212309 /nfs/dbraw/zinc/21/23/09/560212309.db2.gz KJKIEFUPAPPGBC-PZXCLEAVSA-N 0 0 257.250 -3.769 1 0 endogenous,in-vitro CAAFRN C[C@H](O)[C@@H](O)[C@@H]1CN=C2NC(N)=NC(=O)[C@@]2(O)N1 ZINC000012495750 560212322 /nfs/dbraw/zinc/21/23/22/560212322.db2.gz KJKIEFUPAPPGBC-GNCACROUSA-N 0 0 257.250 -3.769 1 0 endogenous,in-vitro CAAFRN CO[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c1ncnc2N ZINC000012496324 560212324 /nfs/dbraw/zinc/21/23/24/560212324.db2.gz FPUGCISOLXNPPC-DCWRLNLKSA-N 0 0 281.272 -1.326 1 0 endogenous,in-vitro CAAFRN Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000012504224 560212757 /nfs/dbraw/zinc/21/27/57/560212757.db2.gz NVUDDRWKCUAERS-GPUHXXMPSA-N 0 0 266.257 -1.375 1 0 in-vitro CAAFRN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O ZINC000013002707 560213538 /nfs/dbraw/zinc/21/35/38/560213538.db2.gz SWBJFMHHQOBNAT-WDEREUQCSA-N 0 0 293.327 -1.067 1 0 in-vitro CAAFRN OCC1=C[C@H](n2cnc3c2NC=NC[C@@H]3O)[C@@H](O)[C@@H]1O ZINC000013308059 560214107 /nfs/dbraw/zinc/21/41/07/560214107.db2.gz WJSAFKJWCOMTLH-OINDSLJFSA-N 0 0 280.284 -1.625 1 0 in-vitro CAAFRN NC(=O)CC[C@H]([NH3+])C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000034361789 571751910 /nfs/dbraw/zinc/75/19/10/571751910.db2.gz DXJZITDUDUPINW-CRCLSJGQSA-N 0 0 260.250 -2.976 1 0 endogenous,in-man CAAFRN [NH3+][C@@H](CCc1ncc(C[C@H]([NH3+])C(=O)[O-])[nH]1)C(=O)[O-] ZINC000005955038 571690188 /nfs/dbraw/zinc/69/01/88/571690188.db2.gz CJCSNWWKPUXVRD-BQBZGAKWSA-N 0 0 256.262 -1.291 1 0 endogenous,in-man CAAFRN [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](O)[C@H]1C(=O)[O-] ZINC000012495542 571694894 /nfs/dbraw/zinc/69/48/94/571694894.db2.gz HVIBGVJOBJJPFB-XKSSXDPKSA-N 0 0 285.300 -2.018 1 0 endogenous,in-man CAAFRN N[C@@H](Cc1c[nH]cn1)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000013514836 571702845 /nfs/dbraw/zinc/70/28/45/571702845.db2.gz PFZUBGMULASFDW-YUMQZZPRSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN N[C@H](Cc1c[nH]cn1)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000013514837 571703036 /nfs/dbraw/zinc/70/30/36/571703036.db2.gz PFZUBGMULASFDW-JGVFFNPUSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013783706 571704265 /nfs/dbraw/zinc/70/42/65/571704265.db2.gz BJRNKVDFDLYUGJ-GCHJQGSQSA-N 0 0 272.253 -1.429 1 0 endogenous,in-man CAAFRN CCOC(=O)C[C@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014444622 571707169 /nfs/dbraw/zinc/70/71/69/571707169.db2.gz HEBPYQNXDMDRKR-BIQNBCKYSA-N 0 0 294.300 -1.855 1 0 endogenous,in-man CAAFRN CCOC(=O)C[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014444620 571707268 /nfs/dbraw/zinc/70/72/68/571707268.db2.gz HEBPYQNXDMDRKR-AALSQDSQSA-N 0 0 294.300 -1.855 1 0 endogenous,in-man CAAFRN O=C(O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H]1C[C@@H](O)CN1 ZINC000014507880 571711791 /nfs/dbraw/zinc/71/17/91/571711791.db2.gz GUEWQMQDXXTGGY-OEASFCPISA-N 0 0 293.272 -3.948 1 0 endogenous,in-man CAAFRN C[C@H]1OC(=O)C=C[C@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015044536 571729157 /nfs/dbraw/zinc/72/91/57/571729157.db2.gz KZOPXYPPFZYEHT-MYPYSATMSA-N 0 0 290.268 -2.327 1 0 endogenous,in-man CAAFRN C[C@H]1OC(=O)C=C[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015044528 571729193 /nfs/dbraw/zinc/72/91/93/571729193.db2.gz KZOPXYPPFZYEHT-INCIPYEQSA-N 0 0 290.268 -2.327 1 0 endogenous,in-man CAAFRN C[C@H](O)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000027206945 571740528 /nfs/dbraw/zinc/74/05/28/571740528.db2.gz WXVIGTAUZBUDPZ-GEVIPFJHSA-N 0 0 256.262 -1.770 1 0 endogenous,in-man CAAFRN O=C([O-])[C@H]1O[C@@H]([NH2+]CCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000031518970 571742741 /nfs/dbraw/zinc/74/27/41/571742741.db2.gz OYNLGXUYULDVEJ-IEECTRCBSA-N 0 0 297.307 -1.289 1 0 endogenous,in-man CAAFRN C[C@@]1(O)C(=O)NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@H]1O ZINC000033650328 571746312 /nfs/dbraw/zinc/74/63/12/571746312.db2.gz RKEITGVZZHXKON-NLFXGDPDSA-N 0 0 276.245 -2.720 1 0 endogenous,in-man CAAFRN CSCC[C@@H](NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)[O-] ZINC000050026936 571765576 /nfs/dbraw/zinc/76/55/76/571765576.db2.gz SIGGQAHUPUBWNF-NKWVEPMBSA-N 0 0 277.346 -1.098 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000050026947 571765776 /nfs/dbraw/zinc/76/57/76/571765776.db2.gz JZOYFBPIEHCDFV-JGVFFNPUSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN NC(=O)C[C@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000050027134 571766214 /nfs/dbraw/zinc/76/62/14/571766214.db2.gz QJMCHPGWFZZRID-NKWVEPMBSA-N 0 0 260.294 -2.113 1 0 endogenous,in-man CAAFRN NC(=O)C[C@H](N)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000095617688 571796214 /nfs/dbraw/zinc/79/62/14/571796214.db2.gz CXTYHSFBRYPJED-WHFBIAKZSA-N 0 0 260.250 -2.976 1 0 endogenous,in-man CAAFRN CSCC[C@@H](N)C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617777 571796008 /nfs/dbraw/zinc/79/60/08/571796008.db2.gz YVSZXQHOADMOLO-RNFRBKRXSA-N 0 0 277.346 -1.098 1 0 endogenous,in-man CAAFRN NC(=O)C[C@@H](N)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000095617687 571796115 /nfs/dbraw/zinc/79/61/15/571796115.db2.gz CXTYHSFBRYPJED-CRCLSJGQSA-N 0 0 260.250 -2.976 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000100770960 571813623 /nfs/dbraw/zinc/81/36/23/571813623.db2.gz HNXKAWFNQGNMNH-LYFYHCNISA-N 0 0 259.262 -2.374 1 0 endogenous,in-vitro CAAFRN Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@H](O)CO ZINC000003869416 574412016 /nfs/dbraw/zinc/41/20/16/574412016.db2.gz XKQZIXVJVUPORE-MRKVFDINSA-N 0 0 276.249 -3.868 1 0 endogenous,in-man CAAFRN C[C@H](O)[C@H](O)[C@@H]1CN=C2NC(N)=NC(=O)[C@]2(O)N1 ZINC000013526630 574413325 /nfs/dbraw/zinc/41/33/25/574413325.db2.gz KJKIEFUPAPPGBC-LJRZAWCWSA-N 0 0 257.250 -3.769 1 0 endogenous,in-man CAAFRN [NH3+]CCCC[C@@H](NC(=O)C[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000032790152 574414098 /nfs/dbraw/zinc/41/40/98/574414098.db2.gz QGNYWQOMJSTUQZ-RNFRBKRXSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](N)CC(N)=O)C(=O)[O-] ZINC000033976927 574414152 /nfs/dbraw/zinc/41/41/52/574414152.db2.gz NPDLYUOYAGBHFB-PHDIDXHHSA-N 0 0 288.308 -2.978 1 0 endogenous,in-man CAAFRN C[C@H](O)[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000050027691 574415089 /nfs/dbraw/zinc/41/50/89/574415089.db2.gz WXVIGTAUZBUDPZ-UIISKDMLSA-N 0 0 256.262 -1.770 1 0 endogenous,in-vitro CAAFRN [NH3+][C@H](CCCCNC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)[O-] ZINC000050027891 574415154 /nfs/dbraw/zinc/41/51/54/574415154.db2.gz DRGKVKLJFBFMED-JGVFFNPUSA-N 0 0 275.305 -1.123 1 0 endogenous,in-vitro CAAFRN [NH3+][C@H](CCCCNC(=O)C[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000050027980 574415235 /nfs/dbraw/zinc/41/52/35/574415235.db2.gz VNJVIQOAVBMTIB-RNFRBKRXSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN NC(=O)C[C@@H](N)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-] ZINC000050028031 574415272 /nfs/dbraw/zinc/41/52/72/574415272.db2.gz YSOBRHQKFRZDNP-RNFRBKRXSA-N 0 0 260.294 -2.113 1 0 endogenous,in-vitro CAAFRN NC(=O)CCC(NC(=O)[C@H]([NH3+])CCC(N)=O)C(=O)[O-] ZINC000100386416 574417551 /nfs/dbraw/zinc/41/75/51/574417551.db2.gz SUXSHSUZJLEPHZ-RXMQYKEDSA-N 0 0 274.277 -1.754 1 0 endogenous,in-vitro CAAFRN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@H](O)[C@H]1O ZINC000059207295 581100410 /nfs/dbraw/zinc/10/04/10/581100410.db2.gz QPVLKMICBYRPSX-GAWUUDPSSA-N 0 0 269.236 -1.003 1 0 in-vitro CAAFRN CC(=O)N[C@H]1[C@H](N2CCOCC2)C=C(C(=O)[O-])C[C@@H]1[NH3+] ZINC000014944943 581098633 /nfs/dbraw/zinc/09/86/33/581098633.db2.gz WYWNZCZUCHSVES-QJPTWQEYSA-N 0 0 283.328 -1.066 1 0 CAAFRN Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1O ZINC000025984269 581100415 /nfs/dbraw/zinc/10/04/15/581100415.db2.gz VFKHECGAEJNAMV-LRSZDJBLSA-N 0 0 251.246 -1.564 1 0 CAAFRN O=c1[nH]cnc2c(CN3C[C@@H](O)[C@H](CO)C3)n[nH]c21 ZINC000072190092 581101308 /nfs/dbraw/zinc/10/13/08/581101308.db2.gz SLIJUTHLNPWRDL-POYBYMJQSA-N 0 0 265.273 -1.157 1 0 in-vivo CAAFRN C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H](O)[C@H]1O ZINC000095552634 185008480 /nfs/dbraw/zinc/00/84/80/185008480.db2.gz METOOOPOWVLDNT-VXYMXFEESA-N 0 0 281.272 -1.592 1 0 CAAFRN CC(=O)OC[C@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000095564970 185010176 /nfs/dbraw/zinc/01/01/76/185010176.db2.gz WOXRFOGJAFXBAH-OJHQEIPXSA-N 0 0 296.272 -3.273 1 0 CAAFRN NC(=O)C[C@H](N)C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617690 185016251 /nfs/dbraw/zinc/01/62/51/185016251.db2.gz CXTYHSFBRYPJED-UHNVWZDZSA-N 0 0 260.250 -2.976 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000095617714 185016472 /nfs/dbraw/zinc/01/64/72/185016472.db2.gz HNXKAWFNQGNMNH-RRKCRQDMSA-N 0 0 259.262 -2.374 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000095617715 185016494 /nfs/dbraw/zinc/01/64/94/185016494.db2.gz HNXKAWFNQGNMNH-FSDSQADBSA-N 0 0 259.262 -2.374 1 0 endogenous,in-man CAAFRN [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000095617744 185016501 /nfs/dbraw/zinc/01/65/01/185016501.db2.gz WEUKYXZXBBLBOY-HRDYMLBCSA-N 0 0 268.273 -1.674 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@@H](N)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000095617717 185016512 /nfs/dbraw/zinc/01/65/12/185016512.db2.gz YWPMFELGYPTDIO-RITPCOANSA-N 0 0 274.277 -2.586 1 0 endogenous,in-man CAAFRN [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000095617746 185016594 /nfs/dbraw/zinc/01/65/94/185016594.db2.gz WEUKYXZXBBLBOY-XHNCKOQMSA-N 0 0 268.273 -1.674 1 0 endogenous,in-man CAAFRN Nc1ccn([C@@H]2O[C@H](CO)[C@](O)(CF)[C@H]2O)c(=O)n1 ZINC000096901101 185126825 /nfs/dbraw/zinc/12/68/25/185126825.db2.gz WWEMNXGRAWJEAF-AMCGLFBUSA-N 0 0 275.236 -2.223 1 0 CAAFRN O=c1[nH]cnc2c1[n-]c(F)c2[C@@H]1[NH2+][C@H](CO)[C@H](O)[C@H]1O ZINC000096901228 185127162 /nfs/dbraw/zinc/12/71/62/185127162.db2.gz MIRJLTROAUGHCB-UILNJHMOSA-N 0 0 284.247 -1.883 1 0 CAAFRN CCCCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])[C@H](C)O ZINC000096902555 185127339 /nfs/dbraw/zinc/12/73/39/185127339.db2.gz LKALYQSHEGGNED-OYNCUSHFSA-N 0 0 290.316 -1.003 1 0 CAAFRN CCC[C@@H](O)[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)OC ZINC000096902541 185128257 /nfs/dbraw/zinc/12/82/57/185128257.db2.gz WVFHKKPEMSBQKT-BHNWBGBOSA-N 0 0 276.289 -1.393 1 0 CAAFRN NC(=O)C[C@@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000050027743 571768833 /nfs/dbraw/zinc/76/88/33/571768833.db2.gz QJMCHPGWFZZRID-RQJHMYQMSA-N 0 0 260.294 -2.113 1 0 endogenous,in-man CAAFRN NC(=O)C[C@@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000050027757 571768888 /nfs/dbraw/zinc/76/88/88/571768888.db2.gz QJMCHPGWFZZRID-RNFRBKRXSA-N 0 0 260.294 -2.113 1 0 endogenous,in-man CAAFRN C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(=O)[nH]c(N)nn12 ZINC000084652808 178910210 /nfs/dbraw/zinc/91/02/10/178910210.db2.gz NJKXJTJGCHFNFF-FHZUQPTBSA-N 0 0 297.271 -2.456 1 0 CAAFRN Cn1c(=O)n(C)c(=O)n(CC[S@@](=O)CC(N)=O)c1=O ZINC000084706691 178917840 /nfs/dbraw/zinc/91/78/40/178917840.db2.gz DQTANAWMEHXAMS-IBGZPJMESA-N 0 0 290.301 -3.520 1 0 CAAFRN CO[C@@H]1O[C@@H](O)C[C@@]2(O)[C@H](O)C[C@](C)(OC(C)=O)[C@@]12O ZINC000095910127 290805368 /nfs/dbraw/zinc/80/53/68/290805368.db2.gz XBRNTTFVNNKQAM-MOCCIAMBSA-N 0 0 292.284 -1.754 1 0 biogenic,in-vitro CAAFRN CC(N)=C1C=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O ZINC000102041773 185768981 /nfs/dbraw/zinc/76/89/81/185768981.db2.gz LBYFGOPJIPHNLW-XFLWWQDVSA-N 0 0 285.256 -2.309 1 0 CAAFRN Nc1nc2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2c(=O)[nH]1 ZINC000102226665 185772493 /nfs/dbraw/zinc/77/24/93/185772493.db2.gz ZUTSIPKQKRZENB-FTWQFJAYSA-O 0 0 284.252 -2.855 1 0 CAAFRN Cn1cnc(=N)c2c1C([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NN2 ZINC000102228193 185773240 /nfs/dbraw/zinc/77/32/40/185773240.db2.gz ZDIHZRPSIQPDII-LFAOKBQASA-N 0 0 283.288 -3.111 1 0 CAAFRN COC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1O ZINC000103246614 185819869 /nfs/dbraw/zinc/81/98/69/185819869.db2.gz HKPIDNZZPLEKBN-UYXSQOIJSA-N 0 0 286.240 -2.017 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1O ZINC000105037668 186038716 /nfs/dbraw/zinc/03/87/16/186038716.db2.gz JNSNEXAWGVQGPR-KIEKWIABSA-N 0 0 297.271 -2.619 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1OC[C@](O)(CO)[C@H]1O ZINC000169314601 188657006 /nfs/dbraw/zinc/65/70/06/188657006.db2.gz IVZPUWMBSKGJLT-WQGWLQIFSA-N 0 0 267.245 -1.978 1 0 CAAFRN NC(=O)c1cnc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)s1 ZINC000169315819 188657022 /nfs/dbraw/zinc/65/70/22/188657022.db2.gz TZSLTIJMUWSCFQ-SHUUEZRQSA-N 0 0 260.271 -1.604 1 0 CAAFRN O=C(Nc1ccc(O)cc1)[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169319357 188657658 /nfs/dbraw/zinc/65/76/58/188657658.db2.gz IRBBSQARQQUBHL-GBVMLCMLSA-N 0 0 285.252 -1.869 1 0 CAAFRN COC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O ZINC000169317489 188657708 /nfs/dbraw/zinc/65/77/08/188657708.db2.gz GQPVOPFZFKWCAO-ARDNSNSESA-N 0 0 256.214 -1.642 1 0 CAAFRN C[C@H]1O[C@@H](n2cnc3cc(N)[nH]c(=O)c32)[C@H](O)[C@@H]1O ZINC000169324375 188658654 /nfs/dbraw/zinc/65/86/54/188658654.db2.gz AMFKEAPZHSVEPK-KJZZYSIUSA-N 0 0 266.257 -1.054 1 0 CAAFRN O=C(NCC(F)(F)F)[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000169340765 188659609 /nfs/dbraw/zinc/65/96/09/188659609.db2.gz LXPINBJVPAUTCY-NEVCITSRSA-N 0 0 289.206 -2.493 1 0 CAAFRN O=C(Nc1ccccc1)[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000169371322 188661236 /nfs/dbraw/zinc/66/12/36/188661236.db2.gz ACZBWELNTOVRFG-SVNGYHJRSA-N 0 0 283.280 -1.533 1 0 CAAFRN OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000004104678 374145051 /nfs/dbraw/zinc/14/50/51/374145051.db2.gz BJRNKVDFDLYUGJ-WTPMCQDGSA-N 0 0 272.253 -1.429 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/nfs/dbraw/zinc/84/93/03/525849303.db2.gz DQHCWWAARZMHKW-ZGAAAFHUSA-N 0 0 282.256 -1.880 1 0 CAAFRN C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)ncnn12 ZINC000068152361 525886813 /nfs/dbraw/zinc/88/68/13/525886813.db2.gz XROGSIFMSJECNU-HGIWHZBTSA-N 0 0 281.272 -1.749 1 0 CAAFRN Cc1cn([C@H]2C[C@H](O)[C@@H](CNC=O)O2)c(=O)[nH]c1=O ZINC000061704698 525911705 /nfs/dbraw/zinc/91/17/05/525911705.db2.gz BBACTWPMAKGXEP-DJLDLDEBSA-N 0 0 269.257 -1.761 3 0 CAAFRN Cc1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 ZINC000049793089 526308350 /nfs/dbraw/zinc/30/83/50/526308350.db2.gz LGFKBKKBVUCTBK-CRKDRTNXSA-N 0 0 297.271 -2.378 1 0 CAAFRN O=c1[nH]cnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n[nH]c21 ZINC000048999311 527045721 /nfs/dbraw/zinc/04/57/21/527045721.db2.gz PJPXRJVAWSAZFX-PBXMGIMNSA-N 0 0 268.229 -3.195 1 0 CAAFRN O=C1N[C@@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F ZINC000059277522 527082542 /nfs/dbraw/zinc/08/25/42/527082542.db2.gz RTGAEUWOUHUIHP-DWOUCZDBSA-N 0 0 250.226 -1.864 1 0 CAAFRN O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F ZINC000059277523 527086625 /nfs/dbraw/zinc/08/66/25/527086625.db2.gz RTGAEUWOUHUIHP-FMDGEEDCSA-N 0 0 250.226 -1.864 1 0 CAAFRN NC(=O)c1ccnc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000049785100 527095394 /nfs/dbraw/zinc/09/53/94/527095394.db2.gz XDRCLQCLDRJADB-WCTZXXKLSA-N 0 0 255.230 -2.271 1 0 CAAFRN NC(=O)c1nc(N)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000049110642 527102734 /nfs/dbraw/zinc/10/27/34/527102734.db2.gz VKTUFNONEPJUSU-WVQVIYPNSA-N 0 0 259.222 -3.429 1 0 CAAFRN NC(=O)c1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cp1 ZINC000049785537 527104543 /nfs/dbraw/zinc/10/45/43/527104543.db2.gz ZPICSEIKYNOUBZ-DJSMDIAISA-N 0 0 261.174 -1.826 1 0 CAAFRN NN=c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 ZINC000049016059 527286611 /nfs/dbraw/zinc/28/66/11/527286611.db2.gz BAYFDGKAUSOEIS-BDXYJKHTSA-N 0 0 297.275 -2.694 1 0 CAAFRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](F)[C@@H]2O)c(=O)n1 ZINC000049070577 527532572 /nfs/dbraw/zinc/53/25/72/527532572.db2.gz AGFREDUIXIMAKC-GDUBFJJUSA-N 0 0 275.236 -2.225 1 0 CAAFRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](F)[C@H]2O)c(=O)n1 ZINC000049070576 527532942 /nfs/dbraw/zinc/53/29/42/527532942.db2.gz AGFREDUIXIMAKC-PMPOVCSBSA-N 0 0 275.236 -2.225 1 0 in-vitro CAAFRN Nc1nn2c(nnc2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000049089239 527558146 /nfs/dbraw/zinc/55/81/46/527558146.db2.gz MYZFXHNKFDIVIT-TXICZTDVSA-N 0 0 284.232 -3.039 1 0 CAAFRN Cc1occc(=O)c1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455206 560047591 /nfs/dbraw/zinc/04/75/91/560047591.db2.gz YGSIRXHFAUFUEJ-WSOSLHDDSA-N 0 0 288.252 -1.873 1 0 biogenic,in-vitro CAAFRN Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000103535772 560052316 /nfs/dbraw/zinc/05/23/16/560052316.db2.gz OIRDTQYFTABQOQ-DEGSGYPDSA-O 0 0 268.253 -2.609 1 0 biogenic,in-vitro CAAFRN O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)cc21 ZINC000034150869 560087433 /nfs/dbraw/zinc/08/74/33/560087433.db2.gz ASMJEFOVGPJHRZ-AZOIZPIDSA-N 0 0 298.247 -1.209 1 0 biogenic,in-vitro CAAFRN Cn1c(=O)ccn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O ZINC000001078616 560180395 /nfs/dbraw/zinc/18/03/95/560180395.db2.gz UTQUILVPBZEHTK-ZLNHGNLKSA-N 0 0 258.230 -2.842 1 0 endogenous,in-vitro CAAFRN COc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004025306 560193289 /nfs/dbraw/zinc/19/32/89/560193289.db2.gz WBZPEZUBVIAKKS-UJPOAAIJSA-N 0 0 286.280 -1.126 1 0 biogenic,in-vitro CAAFRN C[C@@]1(O)CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O ZINC000006067346 560204868 /nfs/dbraw/zinc/20/48/68/560204868.db2.gz MRODUHNLAXSPFV-MPXCPUAZSA-N 0 0 260.246 -2.243 1 0 in-vitro CAAFRN CO[C@H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](O)[C@@H]1OC ZINC000006490928 560205842 /nfs/dbraw/zinc/20/58/42/560205842.db2.gz NGGZJRAGGXAXNO-DZXYHILESA-N 0 0 293.316 -2.018 1 0 in-vitro CAAFRN C[C@@H](O)[C@@H](O)[C@@H]1CN=C2NC(N)=NC(=O)[C@@]2(O)N1 ZINC000012495742 560212308 /nfs/dbraw/zinc/21/23/08/560212308.db2.gz KJKIEFUPAPPGBC-JMMUCCHBSA-N 0 0 257.250 -3.769 1 0 endogenous,in-vitro CAAFRN C[C@H](O)[C@H](O)[C@@H]1CN=C2NC(N)=NC(=O)[C@@]2(O)N1 ZINC000012495761 560212337 /nfs/dbraw/zinc/21/23/37/560212337.db2.gz KJKIEFUPAPPGBC-JMQLNALLSA-N 0 0 257.250 -3.769 1 0 endogenous,in-vitro CAAFRN CO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c1ncnc2N ZINC000012496327 560212502 /nfs/dbraw/zinc/21/25/02/560212502.db2.gz FPUGCISOLXNPPC-PUZBXXCTSA-N 0 0 281.272 -1.326 1 0 endogenous,in-vitro CAAFRN OCC1=C[C@H](n2cnc3c2NC=NC[C@@H]3O)[C@@H](O)[C@H]1O ZINC000013308055 560214109 /nfs/dbraw/zinc/21/41/09/560214109.db2.gz WJSAFKJWCOMTLH-MPKXCIJOSA-N 0 0 280.284 -1.625 1 0 in-vitro CAAFRN Nc1nc(=O)c2c([nH]1)NC[C@@H]([C@@H](O)[C@@H](O)CO)N2 ZINC000013523437 560218565 /nfs/dbraw/zinc/21/85/65/560218565.db2.gz XHIXPVCTDRNTTC-RVJQKOHUSA-N 0 0 257.250 -2.728 1 0 endogenous,in-vitro CAAFRN Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000013532249 560218823 /nfs/dbraw/zinc/21/88/23/560218823.db2.gz PWVUOVPUCZNICU-YQHTUYAKSA-N 0 0 284.228 -2.422 1 0 in-vitro CAAFRN NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)[O-] ZINC000013541004 560219121 /nfs/dbraw/zinc/21/91/21/560219121.db2.gz NPDLYUOYAGBHFB-WDSKDSINSA-N 0 0 288.308 -2.978 1 0 endogenous,in-vitro CAAFRN C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000013542071 560219248 /nfs/dbraw/zinc/21/92/48/560219248.db2.gz IGROJMCBGRFRGI-YTLHQDLWSA-N 0 0 261.278 -2.212 1 0 in-vitro CAAFRN [NH3+][C@H]1[C@H]([C@@H](O)[C@@H](O)CO)O[C@](O)(C(=O)[O-])C[C@@H]1O ZINC000013545339 560219477 /nfs/dbraw/zinc/21/94/77/560219477.db2.gz CERZMXAJYMMUDR-ZKLIOYSQSA-N 0 0 267.234 -4.049 1 0 in-vitro CAAFRN NC(=O)CC[C@@H]1NC[C@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O ZINC000014926781 560227585 /nfs/dbraw/zinc/22/75/85/560227585.db2.gz KPXUNMNRHZUNAN-IBRKFXTQSA-N 0 0 290.272 -3.424 1 0 in-vitro CAAFRN NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)CC(N)=O)C(=O)[O-] ZINC000033976926 571747956 /nfs/dbraw/zinc/74/79/56/571747956.db2.gz NPDLYUOYAGBHFB-RITPCOANSA-N 0 0 288.308 -2.978 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034022549 571748698 /nfs/dbraw/zinc/74/86/98/571748698.db2.gz CTCFZNBRZBNKAX-HTQZYQBOSA-N 0 0 283.288 -1.886 1 0 endogenous,in-man CAAFRN NC(=O)C[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000033995143 571748736 /nfs/dbraw/zinc/74/87/36/571748736.db2.gz WSDOHRLQDGAOGU-RNFRBKRXSA-N 0 0 269.261 -2.276 1 0 endogenous,in-man CAAFRN C[C@H](O)[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000034248033 571750048 /nfs/dbraw/zinc/75/00/48/571750048.db2.gz WXVIGTAUZBUDPZ-APQOSEDMSA-N 0 0 256.262 -1.770 1 0 endogenous,in-man CAAFRN C[C@@H](O)[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000034248035 571750838 /nfs/dbraw/zinc/75/08/38/571750838.db2.gz WXVIGTAUZBUDPZ-MHSYXAOVSA-N 0 0 256.262 -1.770 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000034361790 571751717 /nfs/dbraw/zinc/75/17/17/571751717.db2.gz DXJZITDUDUPINW-RFZPGFLSSA-N 0 0 260.250 -2.976 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-] ZINC000003645319 571683449 /nfs/dbraw/zinc/68/34/49/571683449.db2.gz OAPNERBWQWUPTI-YUMQZZPRSA-N 0 0 274.321 -1.722 1 0 endogenous,in-man CAAFRN C[NH2+][C@@H](CCc1ncc(C[C@H]([NH3+])C(=O)[O-])[nH]1)C(=O)[O-] ZINC000005888062 571690043 /nfs/dbraw/zinc/69/00/43/571690043.db2.gz YBMOTEQVMANKGX-YUMQZZPRSA-N 0 0 270.289 -1.031 1 0 endogenous,in-man CAAFRN O=C1C=C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N1 ZINC000015044719 571729027 /nfs/dbraw/zinc/72/90/27/571729027.db2.gz CAXBOXWWAIDBMS-GPJBGMPSSA-N 0 0 261.230 -3.185 1 0 endogenous,in-man CAAFRN O=C1C=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N1 ZINC000015044712 571729169 /nfs/dbraw/zinc/72/91/69/571729169.db2.gz CAXBOXWWAIDBMS-GRSPRKJRSA-N 0 0 261.230 -3.185 1 0 endogenous,in-man CAAFRN C[C@H](O)[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000040439621 571761907 /nfs/dbraw/zinc/76/19/07/571761907.db2.gz WRPDZHJNLYNFFT-GEVIPFJHSA-N 0 0 256.262 -1.770 1 0 endogenous,in-vitro CAAFRN CSCC[C@H](N)C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617776 571796180 /nfs/dbraw/zinc/79/61/80/571796180.db2.gz YVSZXQHOADMOLO-NKWVEPMBSA-N 0 0 277.346 -1.098 1 0 endogenous,in-man CAAFRN NC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000100770962 571813727 /nfs/dbraw/zinc/81/37/27/571813727.db2.gz HNXKAWFNQGNMNH-DSYKOEDSSA-N 0 0 259.262 -2.374 1 0 endogenous,in-vitro CAAFRN O=C([O-])[C@@H]1C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[NH2+]1 ZINC000100771592 571814049 /nfs/dbraw/zinc/81/40/49/571814049.db2.gz OJEYXWIZDRJBDC-LHCMFBIJSA-N 0 0 293.272 -3.382 1 0 endogenous,in-man CAAFRN Nc1nc2c(c(=O)[nH]1)N[C@H]([C@@H](O)[C@@H](O)CO)[C@@H](O)N2O ZINC000008551750 574412914 /nfs/dbraw/zinc/41/29/14/574412914.db2.gz KQZRTOGFDRQBSR-RFKIRMDUSA-N 0 0 289.248 -3.626 1 0 endogenous,in-vitro CAAFRN C[C@@H](O)[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034279676 574414208 /nfs/dbraw/zinc/41/42/08/574414208.db2.gz WRPDZHJNLYNFFT-LPBLVHEISA-N 0 0 256.262 -1.770 1 0 endogenous,in-man CAAFRN [NH3+]CCCC[C@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000034264940 574414229 /nfs/dbraw/zinc/41/42/29/574414229.db2.gz LNLLNTMHVMIMOG-SFYZADRCSA-N 0 0 275.305 -1.123 1 0 endogenous,in-vitro CAAFRN C[C@H](O)[C@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000034279673 574414242 /nfs/dbraw/zinc/41/42/42/574414242.db2.gz WRPDZHJNLYNFFT-ARDNSNSESA-N 0 0 256.262 -1.770 1 0 endogenous,in-man CAAFRN NC(=[NH2+])NCCC[C@@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000050026835 574414892 /nfs/dbraw/zinc/41/48/92/574414892.db2.gz QCGCETFHYOEVAI-NTSWFWBYSA-N 0 0 289.292 -2.379 1 0 endogenous,in-vitro CAAFRN C[C@@H](O)[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000050027188 574414906 /nfs/dbraw/zinc/41/49/06/574414906.db2.gz WXVIGTAUZBUDPZ-NJUXHZRNSA-N 0 0 256.262 -1.770 1 0 endogenous,in-vitro CAAFRN [NH3+][C@H](CCCCNC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)[O-] ZINC000050027906 574415179 /nfs/dbraw/zinc/41/51/79/574415179.db2.gz HDIUZRCBILKQEH-RQJHMYQMSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN [NH3+][C@H](CCCCNC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000050027909 574415181 /nfs/dbraw/zinc/41/51/81/574415181.db2.gz VNJVIQOAVBMTIB-RQJHMYQMSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN [NH3+][C@@H](CCCCNC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000050027904 574415187 /nfs/dbraw/zinc/41/51/87/574415187.db2.gz VNJVIQOAVBMTIB-BQBZGAKWSA-N 0 0 261.278 -1.513 1 0 endogenous,in-vitro CAAFRN [NH3+][C@H](CCCCNC(=O)[C@H]([NH3+])CCC(=O)[O-])C(=O)[O-] ZINC000050027972 574415231 /nfs/dbraw/zinc/41/52/31/574415231.db2.gz DRGKVKLJFBFMED-HTQZYQBOSA-N 0 0 275.305 -1.123 1 0 endogenous,in-vitro CAAFRN NC(=O)C[C@H](N)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-] ZINC000050027960 574415233 /nfs/dbraw/zinc/41/52/33/574415233.db2.gz YSOBRHQKFRZDNP-BQBZGAKWSA-N 0 0 260.294 -2.113 1 0 endogenous,in-vitro CAAFRN C[C@H](O)[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000069486025 574415581 /nfs/dbraw/zinc/41/55/81/574415581.db2.gz WXVIGTAUZBUDPZ-ARDNSNSESA-N 0 0 256.262 -1.770 1 0 endogenous,in-vitro CAAFRN NC(=O)CCC(NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000100386769 574417668 /nfs/dbraw/zinc/41/76/68/574417668.db2.gz WQHSKNJIRMTCEP-SSDOTTSWSA-N 0 0 283.288 -1.054 1 0 endogenous,in-vitro CAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@@H](CO)[C@H](O)[C@@H]1O ZINC000003871602 581100388 /nfs/dbraw/zinc/10/03/88/581100388.db2.gz UGRNVLGKAGREKS-JWIUVKOKSA-N 0 0 265.273 -1.316 1 0 CAAFRN Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](O)[C@@H]1O ZINC000025984285 581100387 /nfs/dbraw/zinc/10/03/87/581100387.db2.gz VFKHECGAEJNAMV-DGCAKLBHSA-N 0 0 251.246 -1.564 1 0 CAAFRN Nc1nc2c(CNC(CO)CO)c[nH]c2c(=O)[nH]1 ZINC000040900560 581100081 /nfs/dbraw/zinc/10/00/81/581100081.db2.gz ODSSPGZQDUORCO-UHFFFAOYSA-N 0 0 253.262 -1.724 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@H](O)[C@@H]1O ZINC000059207297 581100373 /nfs/dbraw/zinc/10/03/73/581100373.db2.gz QPVLKMICBYRPSX-XJCFNFQFSA-N 0 0 269.236 -1.003 1 0 in-vitro CAAFRN Nc1ncnc2c1ncn2[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O ZINC000000000966 581100374 /nfs/dbraw/zinc/10/03/74/581100374.db2.gz UGRNVLGKAGREKS-UXXCCHNYSA-N 0 0 265.273 -1.316 1 0 CAAFRN Nc1ncnc2c1ncn2[C@@H]1[C@H](O)[C@H](O)[C@H](CO)[C@@H]1F ZINC000034130804 581100386 /nfs/dbraw/zinc/10/03/86/581100386.db2.gz LFSGVDMIBZBPPJ-LZXNEYLESA-N 0 0 283.263 -1.368 1 0 CAAFRN Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@H](CO)[C@@H]1F ZINC000034130806 581100419 /nfs/dbraw/zinc/10/04/19/581100419.db2.gz LFSGVDMIBZBPPJ-WVCUCQHWSA-N 0 0 283.263 -1.368 1 0 CAAFRN O=c1[nH]cnc2c(CN3C[C@H](CO)[C@H](O)C3)n[nH]c21 ZINC000027617488 581101340 /nfs/dbraw/zinc/10/13/40/581101340.db2.gz SLIJUTHLNPWRDL-HTRCEHHLSA-N 0 0 265.273 -1.157 1 0 in-vivo CAAFRN O=c1[nH]cnc2c(CN3C[C@H](O)[C@H](CO)C3)n[nH]c21 ZINC000299870323 581101414 /nfs/dbraw/zinc/10/14/14/581101414.db2.gz SLIJUTHLNPWRDL-XPUUQOCRSA-N 0 0 265.273 -1.157 1 0 in-vivo CAAFRN