7 MUIPLRMGAXZWSQ-FSHFIPFOCP CCN1C=NC2=C1N=CN=C2N 9-ethylpurin-6-amine 11 WSLDOOZREJYCGB-UHFFFAOYAL C(CCl)Cl 1,2-dichloroethane 12 RDJUHLUBPADHNP-UHFFFAOYAO C1=C(C=C(C(=C1O)O)O)O benzene-1,2,3,5-tetrol 13 PBKONEOXTCPAFI-UHFFFAOYAE C1=CC(=C(C=C1Cl)Cl)Cl 1,2,4-trichlorobenzene 19 GLDQAMYCGOIJDV-KZFATGLACE C1=CC(=C(C(=C1)O)O)C(=O)O 2,3-dihydroxybenzoic acid 33 QSKPIOLLBIHNAC-UHFFFAOYAP C(C=O)Cl 2-chloroacetaldehyde 34 SZIFAVKTNFCBPC-UHFFFAOYAF C(CCl)O 2-chloroethanol 43 HWXBTNAVRSUOJR-AUDIXQRPCC C(CC(=O)O)C(C(=O)O)O 2-hydroxypentanedioic acid 44 ROBFUDYVXSDBQM-SNMYEHAQCX C(C(=O)[O-])(C(=O)[O-])O 2-hydroxypropanedioate 45 ROBFUDYVXSDBQM-AOTPWWKUCB C(C(=O)O)(C(=O)O)O 2-hydroxypropanedioic acid 51 KPGXRSRHYNQIFN-AUDIXQRPCH C(CC(=O)O)C(=O)C(=O)O 2-oxopentanedioic acid 58 TYEYBOSBBBHJIV-BRMMOCHJCF CCC(=O)C(=O)O 2-oxobutanoic acid 63 PCEJMSIIDXUDSN-FZOZFQFYCY CC(CC(C(=O)O)N)N 2,4-diaminopentanoic acid 66 RANCECPPZPIPNO-UHFFFAOYAZ C1=CC(=C(C=C1Cl)O)Cl 2,5-dichlorophenol 71 FGSBNBBHOZHUBO-PSPNOWEWCB C(CC(=O)C(=O)O)CC(=O)O 2-oxohexanedioic acid 72 YQUVCSBJEUQKSH-KZFATGLACZ C1=CC(=C(C=C1C(=O)O)O)O 3,4-dihydroxybenzoic acid 75 PCXDJQZLDDHMGX-UHFFFAOYAJ C(CN)C=O 3-aminopropanal 79 GZPHSAQLYPIAIN-UHFFFAOYAR C1=CC(=CN=C1)C#N pyridine-3-carbonitrile 93 RTGHRDFWYQHVFW-PSPNOWEWCT C(CC(=O)O)C(=O)CC(=O)O 3-oxohexanedioic acid 96 WDJHALXBUFZDSR-BRMMOCHJCT CC(=O)CC(=O)O 3-oxobutanoic acid 101 IAVREABSGIHHMO-UHFFFAOYAC C1=CC(=CC(=C1)O)C=O 3-hydroxybenzaldehyde 102 OKVJCVWFVRATSG-UHFFFAOYAA C1=CC(=CC(=C1)O)CO 3-(hydroxymethyl)phenol 107 XMIIGOLPHOKFCH-KZFATGLACR C1=CC=C(C=C1)CCC(=O)O 3-phenylpropanoic acid 108 WGNUNYPERJMVRM-BGGKNDAXCI C1=CC(=CN=C1)CC(=O)O 2-pyridin-3-ylacetic acid 118 DZQLQEYLEYWJIB-UHFFFAOYAT C(CC=O)CN 4-aminobutanal 119 BTCSSZJGUNDROE-BRMMOCHJCO C(CC(=O)O)CN 4-aminobutanoic acid 125 BVJSUAQZOZWCKN-UHFFFAOYAV C1=CC(=CC=C1CO)O 4-(hydroxymethyl)phenol 126 RGHHSNMVTDWUBI-UHFFFAOYAN C1=CC(=CC=C1C=O)O 4-hydroxybenzaldehyde 129 JGEGJYXHCFUMJF-UHFFFAOYAU CC(C)CCC=O 4-methylpentanal 135 FJKROLUGYXJWQN-BGGKNDAXCM C1=CC(=CC=C1C(=O)O)O 4-hydroxybenzoic acid 138 JJMDCOVWQOJGCB-QDQILVOLCV C(CCN)CC(=O)O 5-aminopentanoic acid 167 KVDQMARGGBLIJM-UHFFFAOYAN C1CN=C2C(=N1)C=NC=N2 6,7-dihydropteridine 173 GUAHPAJOXVYFON-XWKXFZRBCC CC(C(=O)CCCCCC(=O)O)N 8-amino-7-oxononanoic acid 174 LYCAIKOWRPUZTN-UHFFFAOYAD C(CO)O ethane-1,2-diol 175 QTBSBXVTEAMEQO-KSORUIRRCC CC(=O)[O-] acetate 176 QTBSBXVTEAMEQO-TULZNQERCK CC(=O)O acetic acid 177 IKHGUXGNUITLKF-UHFFFAOYAB CC=O acetaldehyde 178 DLFVBJFMPXGRIB-ZZOWFUDICC CC(=O)N acetamide 179 ROWKJAVDOGWPAT-UHFFFAOYAD CC(C(=O)C)O 3-hydroxybutan-2-one 180 CSCPPACGZOOCGX-UHFFFAOYAF CC(=O)C propan-2-one 186 LIPOUNRJVLNBCD-NUMVZRSTCM CC(=O)OP(=O)(O)O phosphono acetate 190 GFFGJBXGBJISGV-KOOMONESCC C1=NC2=C(N1)C(=NC=N2)N 7H-purin-6-amine 196 WNLRTRBMVRJNCN-AUDIXQRPCS C(CCC(=O)O)CC(=O)O hexanedioic acid 199 QYPPJABKJHAVHS-UNXFWZPKCC C(CCN=C(N)N)CN 2-(4-aminobutyl)guanidine 207 GFXYTQPNNXGICT-BGGKNDAXCZ C(CC=O)CC(C(=O)O)N 2-amino-6-oxohexanoic acid 215 BCDGQXUMWHRQCB-UHFFFAOYAB CC(=O)CN 1-aminopropan-2-one 219 SAUCHDKDCUROAO-QDQILVOLCN CC(=O)C(C(=O)O)N 2-amino-3-oxobutanoic acid 222 QGZKDVFQNNGYKY-UHFFFAOYAF N azane 223 QGZKDVFQNNGYKY-YMUWUXIECQ [NH4+] azanium 226 FBVWYYILRHVALZ-UHFFFAOYAC C(N)(O)P amino-phosphanylmethanol 227 RWZYAGGXGHYGMB-BGGKNDAXCO C1=CC=C(C(=C1)C(=O)O)N 2-aminobenzoic acid 229 SRBFZHDQGSBBOR-UHFFFAOYAW C1C(C(C(C(O1)O)O)O)O oxane-2,3,4,5-tetrol 233 DJHGAFSJWGLOIV-ZBNSPISCCM O[As](=O)([O-])[O-] hydrogen arsorate 234 DJHGAFSJWGLOIV-AHTNDGLTCQ O[As](=O)(O)O arsoric acid 239 UCMIRNVEIXFBKS-JSWHHWTPCS C(CN)C(=O)O 3-aminopropanoic acid 240 HUMNYLRZRPPJDN-UHFFFAOYAE C1=CC=C(C=C1)C=O benzaldehyde 241 UHOVQNZJYSORNB-UHFFFAOYAH C1=CC=CC=C1 benzene 242 WPYMKLBDIGXBTP-UJYIWYDQCH C1=CC=C(C=C1)C(=O)[O-] benzoate 243 WPYMKLBDIGXBTP-FZOZFQFYCI C1=CC=C(C=C1)C(=O)O benzoic acid 244 WVDDGKGOMKODPV-UHFFFAOYAH C1=CC=C(C=C1)CO phenylmethanol 254 YKOQAAJBYBTSBS-UHFFFAOYAC C1=CC=C(C=C1)C2=C(C(=CC=C2)O)O 3-phenylbenzene-1,2-diol 259 CPELXLSAUQHCOX-ZMJNGJBWCE [Br-] bromide 260 CPELXLSAUQHCOX-UHFFFAOYAZ Br hydrogen bromide 261 ZTQSAGDEMFDKMZ-UHFFFAOYAZ CCCC=O butanal 262 OWBTYPJTUOEWEK-UHFFFAOYAE CC(C(C)O)O butane-2,3-diol 263 LRHPLDYGYMQRHN-UHFFFAOYAS CCCCO butan-1-ol 264 FERIUCNNQQJTOY-JSWHHWTPCW CCCC(=O)O butanoic acid 266 JSHMCUNOMIZJDJ-ZDKSUBDRCB CCCC(=O)OP(=O)(O)O phosphono butanoate 271 BHPQYMZQTOCNFJ-UHFFFAOYAP [Ca+2] calcium(+2) cation 273 VHRGRCVQAFMJIZ-UHFFFAOYAX C(CCN)CCN pentane-1,5-diamine 276 KXDHJXZQYSOELW-GLLOPPQGCQ C(=O)(N)[O-] carbamate 277 KXDHJXZQYSOELW-TULZNQERCV C(=O)(N)O carbamic acid 278 FFQKYPRQEYGKAF-HUFPXAKNCL C(=O)(N)OP(=O)(O)O phosphono carbamate 280 CURLTUGMZLYLDI-UHFFFAOYAO C(=O)=O carbon dioxide 281 UGFAIRIUMAVXCW-UHFFFAOYAT [C-]#[O+] carbon monoxide 283 BDAGIHXWWSANSR-ASVDBMMWCU C(=O)[O-] formate 284 BDAGIHXWWSANSR-QEZKKOIZCL C(=O)O formic acid 285 NQRKYASMKDDGHT-ZURMFFRACM C(C(=O)[O-])ON 2-aminooxyacetate 286 NQRKYASMKDDGHT-JLSKMEETCS C(C(=O)O)ON 2-aminooxyacetic acid 289 YCIMNLLNPGFGHC-UHFFFAOYAA C1=CC=C(C(=C1)O)O benzene-1,2-diol 297 VNWKTOKETHGBQD-UHFFFAOYAM C methane 300 FOCAUTSVDIKZOP-JLSKMEETCI C(C(=O)O)Cl 2-chloroacetic acid 301 AJPXTSMULZANCB-UHFFFAOYAV C1=CC(=C(C=C1O)Cl)O 2-chlorobenzene-1,4-diol 307 KJPRLNWUNMBNBZ-UHFFFAOYAB C1=CC=C(C=C1)C=CC=O 3-phenylprop-2-enal 308 OOCCDEMITAIZTP-UHFFFAOYAA C1=CC=C(C=C1)C=CCO 3-phenylprop-2-en-1-ol 310 TXXHDPDFNKHHGW-AUDIXQRPCS C(=CC(=O)O)C=CC(=O)O hexa-2,4-dienedioic acid 312 VEXZGXHMUGYJMC-QOKNLKRHCF [Cl-] chloride 313 VEXZGXHMUGYJMC-UHFFFAOYAT Cl hydrogen chloride 323 ZYGHJZDHTFUPRJ-UHFFFAOYAC C1=CC=C2C(=C1)C=CC(=O)O2 chromen-2-one 326 WTWBUQJHJGUZCY-UHFFFAOYAP CC(C)C1=CC=C(C=C1)C=O 4-propan-2-ylbenzaldehyde 331 NGDLSXMSQYUVSJ-BGGKNDAXCN CC(CC(CC(=O)O)N)N 3,5-diaminohexanoic acid 332 YOMSJEATGXXYPX-UHFFFAOYAD COC1=C(C=CC(=C1)C=C)O 4-ethenyl-2-methoxyphenol 335 QWVGKYWNOKOFNN-UHFFFAOYAS CC1=CC=CC=C1O 2-methylphenol 338 YGSDEFSMJLZEOE-BGGKNDAXCM C1=CC=C(C(=C1)C(=O)O)O 2-hydroxybenzoic acid 340 PGSWEKYNAOWQDF-UHFFFAOYAB CC1=C(C(=CC=C1)O)O 3-methylbenzene-1,2-diol 342 RLSSMJSEOOYNOY-UHFFFAOYAJ CC1=CC(=CC=C1)O 3-methylphenol 354 HYVSZVZMTYIHKF-FLKJISBTCS C(CC(=O)O)C=CC(=O)C(=O)O 2-oxohept-3-enedioic acid 356 TVMXDCGIABBOFY-UHFFFAOYAY CCCCCCCC octane 358 FAASBXNEOGMQHS-BGGKNDAXCC CC(CC(=O)CC(=O)O)N 5-amino-3-oxohexanoic acid 359 QCDYQQDYXPDABM-UHFFFAOYAF C1=C(C=C(C=C1O)O)O benzene-1,3,5-triol 363 LYIIBVSRGJSHAV-UHFFFAOYAY C(C=O)N 2-aminoacetaldehyde 364 PECYZEOJVXMISF-BRMMOCHJCT C(C(C(=O)O)N)N 2,3-diaminopropanoic acid 371 YTIVTFGABIZHHX-AOTPWWKUCY C(#CC(=O)O)C(=O)O but-2-ynedioic acid 379 WWZKQHOCKIZLMA-BGGKNDAXCD CCCCCCCC(=O)O octanoic acid 385 WLJVNTCWHIRURA-PSPNOWEWCY C(CCC(=O)O)CCC(=O)O heptanedioic acid 389 AHLPHDHHMVZTML-FZOZFQFYCX C(CC(C(=O)O)N)CN 2,5-diaminopentanoic acid 392 QKEWQOJCHPFEAF-BGGKNDAXCY C(CC(CC(=O)O)N)CN 3,6-diaminohexanoic acid 397 ZOAMBXDOGPRZLP-QMLCPYSLCD C1=CC=C2C(=C1)C(=CN2)CC(=O)N 2-(1H-indol-3-yl)acetamide 398 FGLBSLMDCBOPQK-UHFFFAOYAM CC(C)[N+](=O)[O-] 2-nitropropane 402 RWSOTUBLDIXVET-UHFFFAOYAJ S hydrogen sulfide 403 PLIKAWJENQZMHA-UHFFFAOYAD C1=CC(=CC=C1N)O 4-aminophenol 412 MYKUKUCHPMASKF-UHFFFAOYAS C1CC(NC1)C2=CN=CC=C2 3-pyrrolidin-2-ylpyridine 419 SOXXPQLIZIPMIZ-PSPNOWEWCB C(C(=O)C=CC(=O)O)C(=O)O 4-oxohex-2-enedioic acid 424 CKLJMWTZIZZHCS-HJYFZBQUCZ C(C(C(=O)O)N)C(=O)O 2-aminobutanedioic acid 428 XFNJVJPLKCPIBV-UHFFFAOYAG C(CN)CN propane-1,3-diamine 441 WHBMMWSBFZVSSR-BRMMOCHJCA CC(CC(=O)O)O 3-hydroxybutanoic acid 447 LULAYUGMBFYYEX-BGGKNDAXCG C1=CC(=CC(=C1)Cl)C(=O)O 3-chlorobenzoic acid 453 FBPFZTCFMRRESA-UHFFFAOYAI C(C(C(C(C(CO)O)O)O)O)O hexane-1,2,3,4,5,6-hexol 454 NUJGJRNETVAIRJ-UHFFFAOYAK CCCCCCCC=O octanal 460 LHGVFZTZFXWLCP-UHFFFAOYAI COC1=CC=CC=C1O 2-methoxyphenol 469 OYIFNHCXNCRBQI-PSPNOWEWCJ C(CC(C(=O)O)N)CC(=O)O 2-aminohexanedioic acid 470 OGNSCSPNOLGXSM-QDQILVOLCY C(CN)C(C(=O)O)N 2,4-diaminobutanoic acid 484 QRZMXADUXZADTF-BRMMOCHJCQ C1=C(NC=N1)N 3H-imidazol-4-amine 487 ZIYVHBGGAOATLY-AOTPWWKUCR CC(C(=O)O)C(=O)O 2-methylpropanedioic acid 490 YEMKIGUKNDOZEG-NUMVZRSTCF C(C=O)P(=O)(O)O 2-oxoethylphosphonic acid 502 YANFYYGANIYHGI-XLKFYZMLCW C(CCNC(=O)N)CN 4-aminobutylurea 504 CAAMSDWKXXPUJR-JSWHHWTPCC C1C(=O)NC=N1 3,5-dihydroimidazol-4-one 523 VHKNBDIQDAXGBL-FZOZFQFYCD C(CC(=O)C(=O)O)C=O 2,5-dioxopentanoic acid 525 BJEPYKJPYRNKOW-HJYFZBQUCH C(C(C(=O)O)O)C(=O)O 2-hydroxybutanedioic acid 527 NBBJYMSMWIIQGU-UHFFFAOYAZ CCC=O propanal 529 ASCFNMCAHFUBCO-VDBCHIHOCB C(C(=O)O)OP(=O)(O)O 2-phosphonooxyacetic acid 533 SPVXKVOXSXTJOY-UHFFFAOYAF [SeH2] hydrogen selenide 540 XLJMAIOERFSOGZ-UHFFFAOYAT C(#N)O cyanic acid 541 BXRFQSNOROATLV-UHFFFAOYAO C1=CC(=CC=C1C=O)[N+](=O)[O-] 4-nitrobenzaldehyde 545 GCPXMJHSNVMWNM-UHFFFAOYAA O[As](O)O arsorous acid 546 XUYJLQHKOGNDPB-VDBCHIHOCO C(C(=O)O)P(=O)(O)O 2-phosphonoacetic acid 559 VCOFTLCIPLEZKE-PPMNOVJICR C(CC=O)CN=C(N)N 2-(4-oxobutyl)guanidine 564 SLXKOJJOQWFEFD-FZOZFQFYCD C(CCC(=O)O)CCN 6-aminohexanoic acid 567 DCNLOVYDMCVNRZ-GJDLCBJWAH C1=CC=C(C=C1)[Hg] phenylmercury 568 TXCDCPKCNAJMEE-UHFFFAOYAX C1=CC=C2C(=C1)C3=CC=CC=C3O2 dibenzofuran 597 OPTASPLRGRRNAP-PTAWIYCUCW C1=C(NC(=O)N=C1)N 4-amino-3H-pyrimidin-2-one 602 QNAYBMKLOCPYGJ-JSWHHWTPCH CC(C(=O)O)N 2-aminopropanoic acid 611 WHUUTDBJXJRKMK-AUDIXQRPCX C(CC(=O)O)C(C(=O)O)N 2-aminopentanedioic acid 612 JVTAAEKCZFNVCJ-JSWHHWTPCE CC(C(=O)O)O 2-hydroxypropanoic acid 649 OIVLITBTBDPEFK-JYEHRPOACO C1CNC(=O)NC1=O 1,3-diazinane-2,4-dione 650 QSJXEFYPDANLFS-UHFFFAOYAX CC(=O)C(=O)C butane-2,3-dione 652 KCEGBPIYGIWCDH-XWKXFZRBCL CC(C(CCCCCC(=O)O)N)N 7,8-diaminononanoic acid 654 UCQFCFPECQILOL-JSWHHWTPCF CCOP(=O)(O)OCC diethyl hydrogen phosphate 660 VMUXSMXIQBNMGZ-UHFFFAOYAH C1CC(=O)OC2=CC=CC=C21 chroman-2-one 663 VLYUGYAKYZETRF-JSGPKCTECC C(CCC(=O)N)CC(CCS)S 6,8-bis-sulfanyloctanamide 670 RXKJFZQQPQGTFL-UHFFFAOYAE C(C(=O)CO)O 1,3-dihydroxypropan-2-one 673 FFDGPVCHZBVARC-BRMMOCHJCJ CN(C)CC(=O)O 2-dimethylaminoacetic acid 674 ROSDSFDQCJNGOL-UHFFFAOYAM CNC N-methylmethanamine 679 IAZDPXIOMUYVGZ-UHFFFAOYAR CS(=O)C methylsulfinylmethane 700 HZAXFHJVJLSVMW-UHFFFAOYAD C(CO)N 2-aminoethanol 702 LFQSCWFLJHTTHZ-UHFFFAOYAB CCO ethanol 712 WSFSSNUMVMOOMR-UHFFFAOYAT C=O formaldehyde 713 ZHNUHDYFZUAESO-RZDQGJFACD C(=O)N formamide 723 VZCYOOQTPOCHFL-AOTPWWKUCS C(=CC(=O)O)C(=O)O but-2-enedioic acid 743 JFCQEDHGNNZCLN-HJYFZBQUCP C(CC(=O)O)CC(=O)O pentanedioic acid 750 DHMQDGOQFOQNFH-JLSKMEETCN C(C(=O)O)N 2-aminoacetic acid 751 MNQZXJOMYWMBOU-UHFFFAOYAU C(C(C=O)O)O 2,3-dihydroxypropanal 753 PEDCQBHIVMGVHV-UHFFFAOYAF C(C(CO)O)O propane-1,2,3-triol 756 WGCNASOHLSPBMP-UHFFFAOYAH C(C=O)O 2-hydroxyacetaldehyde 757 AEMRFAOFKBGASW-JLSKMEETCI C(C(=O)O)O 2-hydroxyacetic acid 760 HHLFWLYXYJOTON-JLSKMEETCL C(=O)C(=O)O oxaldehydic acid 767 BVKZGUZCCUSVTD-IBIRENAJCI C(=O)(O)O carbonic acid 768 LELOWRISYMNNSU-UHFFFAOYAU C#N formonitrile 769 BVKZGUZCCUSVTD-JCBUHNHRCY C(=O)(O)[O-] hydrogen carbonate 781 ZMZDMBWJUHKJPS-UHFFFAOYAD C(#N)S thiocyanic acid 783 UFHFLCQGNIYNRP-UHFFFAOYAN [HH] molecular hydrogen 784 MHAJPDPJQMAIIY-UHFFFAOYAL OO hydrogen peroxide 785 QIGBRXMKCJKVMJ-UHFFFAOYAX C1=CC(=CC=C1O)O benzene-1,4-diol 787 AVXURJPOCDRRFD-UHFFFAOYAD NO hydroxylamine 790 FDGQSTZJBFJUBT-HJYFZBQUCE C1=NC2=C(N1)C(=O)N=CN2 3,7-dihydropurin-6-one 795 RAXXELZNTBOGNW-JLSKMEETCJ C1=CN=CN1 1H-imidazole 796 NMUOATVLLQEYHI-FHORRWOCDS C(C(=N)C(=O)O)C(=O)O 2-iminobutanedioic acid 798 SIKJAQJRHWYJAI-UHFFFAOYAI C1=CC=C2C(=C1)C=CN2 1H-indole 801 SEOVTRFCIGRIMH-TWWDDUKDCL C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-] 2-(1H-indol-3-yl)acetate 807 PNDPGZBMCMUPRI-UHFFFAOYAF II molecular iodine 813 NPYPAHLBTDXSSS-UHFFFAOYAE [K+] potassium(+1) cation 824 SNDPXSYFESPGGJ-QDQILVOLCO CCCC(C(=O)O)N 2-aminopentanoic acid 827 HEBKCHPVOIAQTA-UHFFFAOYAB C(C(C(C(CO)O)O)O)O pentane-1,2,3,4,5-pentol 829 HOSWPDPVFBCLSY-QDQILVOLCR C(C=O)C(C(=O)O)N 2-amino-4-oxobutanoic acid 855 BSABBBMNWQWLLU-UHFFFAOYAY CC(C=O)O 2-hydroxypropanal 866 KDXKERNSBIXSRK-BGGKNDAXCU C(CCN)CC(C(=O)O)N 2,6-diaminohexanoic acid 867 OFOBLEOULBTSOW-CVXXDPDJCU C(C(=O)O)C(=O)O propanedioic acid 868 OAKURXIZZOAYBC-JSWHHWTPCF C(C=O)C(=O)O 3-oxopropanoic acid 878 LSDPWZHWYPCBBB-UHFFFAOYAW CS methanethiol 880 AIJULSRZWUXGPQ-UHFFFAOYAZ CC(=O)C=O 2-oxopropanal 881 LGRLWUINFJPLSH-UHFFFAOYAK [CH3-] carbanide 887 OKKJLVBELUTLKV-UHFFFAOYAX CO methanol 888 JLVVSXFLKOJNIY-UHFFFAOYAC [Mg+2] magnesium(+2) cation 904 FZERHIULMFGESH-BGGKNDAXCW CC(=O)NC1=CC=CC=C1 N-phenylacetamide 923 FKNQFGJONOIPTF-UHFFFAOYAZ [Na+] sodium(+1) cation 931 UFWIBTONFRDIAS-UHFFFAOYAC C1=CC=C2C=CC=CC2=C1 naphthalene 933 RBLWMQWAHONKNC-UHFFFAOYAH [NH3+]O hydroxyazanium 934 VEQPNABPJHWNSG-UHFFFAOYAL [Ni+2] nickel(+2) cation 935 PXHVJJICTQNCMI-UHFFFAOYAH [Ni] nickel 936 DFPAKSUCGFBDDF-IAUQMDSZCD C1=CC(=CN=C1)C(=O)N pyridine-3-carboxamide