{"status":"WARNING","message":"APPEARS_AMBIGUOUS: Connection of phenyl to hydantoin","cml":"<cml xmlns=\"http://www.xml-cml.org/schema\" convention=\"conventions:molecular\" xmlns:conventions=\"http://www.xml-cml.org/convention/\" xmlns:cmlDict=\"http://www.xml-cml.org/dictionary/cml/\" xmlns:nameDict=\"http://www.xml-cml.org/dictionary/cml/name/\">\n  <molecule id=\"m1\">\n    <name dictRef=\"nameDict:unknown\">PHENYLTHIOHYDANTOIN ASPARTIC ACID<\/name>\n    <atomArray>\n      <atom id=\"a1\" elementType=\"N\">\n        <label value=\"N\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a2\" elementType=\"C\">\n        <atomParity atomRefs4=\"a1 a29 a3 a5\">1<\/atomParity>\n        <label value=\"2\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"alpha\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a3\" elementType=\"C\">\n        <label value=\"3\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"beta\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a4\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"4\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"gamma\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a5\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"1\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a7\" elementType=\"O\" hydrogenCount=\"0\">\n        <label value=\"O''\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a8\" elementType=\"O\">\n        <label value=\"O\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a10\" elementType=\"O\" hydrogenCount=\"0\">\n        <label value=\"O'''\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a11\" elementType=\"O\">\n        <label value=\"O'\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a27\" elementType=\"H\"/>\n      <atom id=\"a28\" elementType=\"H\"/>\n      <atom id=\"a29\" elementType=\"H\"/>\n      <atom id=\"a30\" elementType=\"H\"/>\n      <atom id=\"a31\" elementType=\"H\"/>\n      <atom id=\"a32\" elementType=\"H\"/>\n      <atom id=\"a33\" elementType=\"H\"/>\n      <atom id=\"a12\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"1\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a13\" elementType=\"C\">\n        <label value=\"2\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"ortho\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a14\" elementType=\"C\">\n        <label value=\"3\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"meta\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a15\" elementType=\"C\">\n        <label value=\"4\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"para\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a16\" elementType=\"C\">\n        <label value=\"5\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a17\" elementType=\"C\">\n        <label value=\"6\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a34\" elementType=\"H\"/>\n      <atom id=\"a35\" elementType=\"H\"/>\n      <atom id=\"a36\" elementType=\"H\"/>\n      <atom id=\"a37\" elementType=\"H\"/>\n      <atom id=\"a38\" elementType=\"H\"/>\n      <atom id=\"a19\" elementType=\"N\" hydrogenCount=\"0\">\n        <label value=\"1\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"N\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a20\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"2\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a21\" elementType=\"S\" hydrogenCount=\"0\">\n        <label value=\"S\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a22\" elementType=\"N\">\n        <label value=\"3\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"N'\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a23\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"4\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a24\" elementType=\"O\" hydrogenCount=\"0\">\n        <label value=\"O\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a25\" elementType=\"C\">\n        <label value=\"5\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a39\" elementType=\"H\"/>\n      <atom id=\"a40\" elementType=\"H\"/>\n      <atom id=\"a41\" elementType=\"H\"/>\n    <\/atomArray>\n    <bondArray>\n      <bond id=\"a1_a2\" atomRefs2=\"a1 a2\" order=\"S\"/>\n      <bond id=\"a2_a3\" atomRefs2=\"a2 a3\" order=\"S\"/>\n      <bond id=\"a3_a4\" atomRefs2=\"a3 a4\" order=\"S\"/>\n      <bond id=\"a2_a5\" atomRefs2=\"a2 a5\" order=\"S\"/>\n      <bond id=\"a5_a7\" atomRefs2=\"a5 a7\" order=\"D\"/>\n      <bond id=\"a5_a8\" atomRefs2=\"a5 a8\" order=\"S\"/>\n      <bond id=\"a4_a10\" atomRefs2=\"a4 a10\" order=\"D\"/>\n      <bond id=\"a4_a11\" atomRefs2=\"a4 a11\" order=\"S\"/>\n      <bond id=\"a1_a27\" atomRefs2=\"a1 a27\" order=\"S\"/>\n      <bond id=\"a1_a28\" atomRefs2=\"a1 a28\" order=\"S\"/>\n      <bond id=\"a2_a29\" atomRefs2=\"a2 a29\" order=\"S\"/>\n      <bond id=\"a3_a30\" atomRefs2=\"a3 a30\" order=\"S\"/>\n      <bond id=\"a3_a31\" atomRefs2=\"a3 a31\" order=\"S\"/>\n      <bond id=\"a8_a32\" atomRefs2=\"a8 a32\" order=\"S\"/>\n      <bond id=\"a11_a33\" atomRefs2=\"a11 a33\" order=\"S\"/>\n      <bond id=\"a12_a13\" atomRefs2=\"a12 a13\" order=\"D\"/>\n      <bond id=\"a13_a14\" atomRefs2=\"a13 a14\" order=\"S\"/>\n      <bond id=\"a14_a15\" atomRefs2=\"a14 a15\" order=\"D\"/>\n      <bond id=\"a15_a16\" atomRefs2=\"a15 a16\" order=\"S\"/>\n      <bond id=\"a16_a17\" atomRefs2=\"a16 a17\" order=\"D\"/>\n      <bond id=\"a12_a17\" atomRefs2=\"a12 a17\" order=\"S\"/>\n      <bond id=\"a13_a34\" atomRefs2=\"a13 a34\" order=\"S\"/>\n      <bond id=\"a14_a35\" atomRefs2=\"a14 a35\" order=\"S\"/>\n      <bond id=\"a15_a36\" atomRefs2=\"a15 a36\" order=\"S\"/>\n      <bond id=\"a16_a37\" atomRefs2=\"a16 a37\" order=\"S\"/>\n      <bond id=\"a17_a38\" atomRefs2=\"a17 a38\" order=\"S\"/>\n      <bond id=\"a12_a19\" atomRefs2=\"a12 a19\" order=\"S\"/>\n      <bond id=\"a19_a20\" atomRefs2=\"a19 a20\" order=\"S\"/>\n      <bond id=\"a20_a21\" atomRefs2=\"a20 a21\" order=\"D\"/>\n      <bond id=\"a20_a22\" atomRefs2=\"a20 a22\" order=\"S\"/>\n      <bond id=\"a22_a23\" atomRefs2=\"a22 a23\" order=\"S\"/>\n      <bond id=\"a23_a24\" atomRefs2=\"a23 a24\" order=\"D\"/>\n      <bond id=\"a23_a25\" atomRefs2=\"a23 a25\" order=\"S\"/>\n      <bond id=\"a19_a25\" atomRefs2=\"a19 a25\" order=\"S\"/>\n      <bond id=\"a22_a39\" atomRefs2=\"a22 a39\" order=\"S\"/>\n      <bond id=\"a25_a40\" atomRefs2=\"a25 a40\" order=\"S\"/>\n      <bond id=\"a25_a41\" atomRefs2=\"a25 a41\" order=\"S\"/>\n    <\/bondArray>\n  <\/molecule>\n<\/cml>","inchi":"InChI=1/C9H8N2OS.C4H7NO4/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7;5-2(4(8)9)1-3(6)7/h1-5H,6H2,(H,10,12,13);2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1/f/h10H;6,8H","stdinchi":"InChI=1S/C9H8N2OS.C4H7NO4/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7;5-2(4(8)9)1-3(6)7/h1-5H,6H2,(H,10,12,13);2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1","stdinchikey":"JHSKEQCVFYFWAV-WNQIDUERSA-N","smiles":"N[C@@H](CC(=O)O)C(=O)O.C1(=CC=CC=C1)N1C(=S)NC(=O)C1","warnings":["APPEARS_AMBIGUOUS"]}