STL145901 ps > 0
STL281179 non-hydrogen_atoms < 4
STL482420 unacceptable_atom Hg
STL482421 unacceptable_atom Hg
STK107825 validation_error Explicit valence for atom # 12 N, 4, is greater than permitted
STK672150 MW > 999.0
STK672267 ps > 0
STK672701 unacceptable_atom Ge
STK088339 validation_error Explicit valence for atom # 17 K, 2, is greater than permitted
STK011889 validation_error Explicit valence for atom # 18 K, 2, is greater than permitted
STK021259 validation_error Explicit valence for atom # 18 K, 2, is greater than permitted
STK058946 validation_error Explicit valence for atom # 18 K, 2, is greater than permitted
STK056025 validation_error Explicit valence for atom # 23 Na, 2, is greater than permitted
STK077880 validation_error Explicit valence for atom # 23 K, 2, is greater than permitted
STK040341 validation_error Explicit valence for atom # 23 Rb, 2, is greater than permitted
STK062986 validation_error Explicit valence for atom # 25 K, 2, is greater than permitted
STK009614 validation_error Explicit valence for atom # 18 K, 2, is greater than permitted
STK052211 validation_error Explicit valence for atom # 18 Na, 2, is greater than permitted
STK086898 validation_error Explicit valence for atom # 19 K, 2, is greater than permitted
STK060480 validation_error Explicit valence for atom # 20 K, 2, is greater than permitted
STK076312 validation_error Explicit valence for atom # 21 K, 2, is greater than permitted
STK058024 validation_error Explicit valence for atom # 27 K, 2, is greater than permitted
STK017043 validation_error Explicit valence for atom # 23 K, 2, is greater than permitted
STK089153 validation_error Explicit valence for atom # 20 K, 2, is greater than permitted
STK057622 validation_error Explicit valence for atom # 21 K, 2, is greater than permitted
STK047210 validation_error Explicit valence for atom # 19 K, 2, is greater than permitted
STK039350 validation_error Explicit valence for atom # 22 K, 2, is greater than permitted
STK001965 validation_error Explicit valence for atom # 17 K, 2, is greater than permitted
STK027758 validation_error Explicit valence for atom # 19 K, 2, is greater than permitted
STK033649 validation_error Explicit valence for atom # 27 K, 2, is greater than permitted
STK008329 validation_error Explicit valence for atom # 22 K, 2, is greater than permitted
STK028338 validation_error Explicit valence for atom # 19 K, 2, is greater than permitted
STL135479 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
STK031392 ps > 0
STK026445 ps > 0
STK004656 ps > 0
STK067146 ps > 0
STK756135 ps > 0
STK731553 ps > 0
STK731555 ps > 0
STK662526 ps > 0
STK731561 ps > 0
STK731564 ps > 0
STK731566 ps > 0
STK731569 ps > 0
STK731570 ps > 0
STK731574 ps > 0
STK731575 ps > 0
STK731576 ps > 0
STK731577 ps > 0
STK731578 ps > 0
STK662528 ps > 0
STK662529 ps > 0
STK731582 ps > 0
STL322630 unacceptable_atom Se
STL524448 MW > 999.0
STL524799 MW > 999.0
STL055819 unacceptable_atom Zn
STK329495 unacceptable_atom Cu
STK540476 ps > 0
STL561471 MW > 999.0
STL518785 unacceptable_atom Cu
STL325848 unacceptable_atom Se
STL325865 unacceptable_atom Fe
STL325890 unacceptable_atom Ge
STL325917 unacceptable_atom Se
STL326114 ps > 0
STL326132 ps > 0
STL326167 ps > 0
STL326221 unacceptable_atom Ge
STL326241 ps > 0
STL326251 ps > 0
STL326312 ps > 0
STL326434 unacceptable_atom V
STL196883 validation_error Explicit valence for atom # 11 O, 3, is greater than permitted
STL000186 unacceptable_atom Se
STK785152 ps > 0
STK667136 unacceptable_atom Se
STK667137 unacceptable_atom Se
STK667139 unacceptable_atom Se
STK667140 unacceptable_atom Se
STK667141 unacceptable_atom Se
STK667142 unacceptable_atom Se
STK743028 unacceptable_atom Se
STK743029 unacceptable_atom Se
STK892028 validation_error Explicit valence for atom # 16 N, 4, is greater than permitted
STK892029 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
STK295941 MW > 999.0
STK296026 MW > 999.0
STK680281 unacceptable_atom Se
STL151273 unacceptable_atom Co
STL151292 unacceptable_atom Co
STL151299 unacceptable_atom Zn
STL168873 validation_error Explicit valence for atom # 33 O, 3, is greater than permitted
STK366811 ps > 0
STK367021 unacceptable_atom Zn
STK367023 unacceptable_atom Zn
STK721944 unacceptable_atom Zn
STK372199 unacceptable_atom Ca
STK372200 unacceptable_atom Cu
STK349456 unacceptable_atom Na
STK349501 unacceptable_atom Na
STK349610 unacceptable_atom Na
STK349611 unacceptable_atom Na
STK349612 unacceptable_atom Na
STK349625 unacceptable_atom Na
STK694105 unacceptable_atom Se
STK694106 unacceptable_atom Se
STK694107 unacceptable_atom Se
STK694108 unacceptable_atom Se
STK694109 unacceptable_atom Se
STK694110 unacceptable_atom Se
STK694111 unacceptable_atom Se
STK694112 unacceptable_atom Se
STK694113 unacceptable_atom Se
STK694114 unacceptable_atom Se
STK694115 unacceptable_atom Se
STL345341 unacceptable_atom Se
STK365422 ps > 0
STK365423 ps > 0
STK365425 ps > 0
STK666871 unacceptable_atom Se
STL058734 validation_error Explicit valence for atom # 14 O, 3, is greater than permitted
STL058736 validation_error Explicit valence for atom # 26 O, 3, is greater than permitted
STK377241 unacceptable_atom K
STK526823 MW > 999.0
STK527039 unacceptable_atom Se
STK527074 unacceptable_atom Se
STK527082 ps > 0
STK379095 unacceptable_atom Se
STK524343 unacceptable_atom Se
STK524630 unacceptable_atom Co
STK524660 unacceptable_atom Fe
STK524707 ps > 0
STK325716 ps > 0
STK375822 unacceptable_atom Na
STK529350 unacceptable_atom Se
STK529467 MW > 999.0
STK529478 unacceptable_atom Se
STK529492 MW > 999.0
STK529493 ps > 0
STK529557 unacceptable_atom Se
STK529642 MW > 999.0
STK204922 ps > 0
STK204927 unacceptable_atom Ge
STK204928 unacceptable_atom Ge
STK204930 unacceptable_atom Ge
STK204934 ps > 0
STK204935 ps > 0
STK204937 ps > 0
STK208333 ps > 0
STK208353 ps > 0
STK208407 ps > 0
STK208431 ps > 0
STK208433 ps > 0
STK208445 ps > 0
STL303773 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
STK266059 validation_error Explicit valence for atom # 25 N, 4, is greater than permitted
STK369422 validation_error Explicit valence for atom # 14 Ge, 6, is greater than permitted
STL386496 unacceptable_atom Se
STK349025 unacceptable_atom Na
STK372689 unacceptable_atom Se
STK372889 unacceptable_atom Se
STK372947 ps > 0
STK372948 ps > 0
STK372949 ps > 0
STK372950 ps > 0
STK372951 ps > 0
STK372964 ps > 0
STK372965 ps > 0
STK372983 ps > 0
STK723331 validation_error Explicit valence for atom # 18 Na, 2, is greater than permitted
STK530397 MW > 999.0
STL558326 validation_error Explicit valence for atom # 23 Na, 2, is greater than permitted
STL546507 unacceptable_atom Se
STL565037 MW > 999.0
STL565040 MW > 999.0
STL565370 unacceptable_atom Co
STL565377 MW > 999.0
STL565379 MW > 999.0
STL565395 MW > 999.0
STL565398 MW > 999.0
STL565404 MW > 999.0
STL565416 MW > 999.0
STL565422 MW > 999.0
STL565428 MW > 999.0
STL565448 MW > 999.0
STL565630 MW > 999.0
STK902099 ps > 0
STK809712 unacceptable_atom Se
STK499805 validation_error Explicit valence for atom # 23 N, 4, is greater than permitted
STK499808 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK685890 MW > 999.0
STL565179 ps > 0
STL562410 ps > 0
STL433988 unacceptable_atom Se
STL429878 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
STL426081 MW < 50.0
STK041243 MW > 999.0
STK682744 isotopes15n > 0
STK682749 unacceptable_atom Se
STK682766 unacceptable_atom Se
STK682767 unacceptable_atom Se
STK001918 unacceptable_atom Hg
STK523825 unacceptable_atom Se
STK523826 unacceptable_atom Se
STK523827 unacceptable_atom Se
STK523828 unacceptable_atom Se
STK523829 unacceptable_atom Se
STK523830 unacceptable_atom Se
STK712982 unacceptable_atom Se
STK523831 unacceptable_atom Se
STK523834 unacceptable_atom Se
STK523835 unacceptable_atom Se
STK712989 unacceptable_atom Se
STL431725 validation_error Explicit valence for atom # 1 N, 5, is greater than permitted
STL343327 ps > 0
STL326470 unacceptable_atom Se
STL326508 ps > 0
STL326550 ps > 0
STL326552 unacceptable_atom Se
STL326580 unacceptable_atom Se
STL326692 ps > 0
STL326926 ps > 0
STL326948 unacceptable_atom Se
STK003531 unacceptable_atom Na
STK068930 unacceptable_atom Na
STK026777 unacceptable_atom Na
STK069995 unacceptable_atom Na
STL558616 sss > 0
STL333870 unacceptable_atom Se
STK912572 validation_error Explicit valence for atom # 25 N, 4, is greater than permitted
STK772364 unacceptable_atom Se
STK772365 unacceptable_atom Se
STK772414 unacceptable_atom Se
STK759018 ps > 0
STK772413 unacceptable_atom Se
STL363951 validation_error Explicit valence for atom # 9 N, 4, is greater than permitted
STK732824 unacceptable_atom Na
STL569947 MW > 999.0
STL569955 unacceptable_atom Se
STL580093 ps > 0
STL580172 ps > 0
STL580246 ps > 0
STL580362 MW > 999.0
STL569969 unacceptable_atom Zn
STL580417 unacceptable_atom Se
STL569971 unacceptable_atom Fe
STL378481 validation_error Explicit valence for atom # 9 N, 4, is greater than permitted
STL238154 unacceptable_atom Fe
STL417068 unacceptable_atom Se
STL428162 unacceptable_atom Se
STK670357 MW > 999.0
STK670419 unacceptable_atom Cu
STK670433 MW > 999.0
STL444020 unacceptable_atom Se
STL444021 unacceptable_atom Se
STK633485 unacceptable_atom Se
STL140825 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STL140862 unacceptable_atom As
STL263251 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STL263252 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK537179 MW > 999.0
STK537232 unacceptable_atom Cu
STK832380 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK832381 validation_error Explicit valence for atom # 9 N, 4, is greater than permitted
STK832382 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK832384 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK832385 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK832388 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK826175 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK202299 ps > 0
STK727059 unacceptable_atom Se
STK724044 validation_error Explicit valence for atom # 29 K, 2, is greater than permitted
STK290765 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
STK290766 validation_error Explicit valence for atom # 24 N, 4, is greater than permitted
STK290767 validation_error Explicit valence for atom # 23 N, 4, is greater than permitted
STL324059 ps > 0
STL324068 ps > 0
STL324172 unacceptable_atom Se
STL324303 ps > 0
STL324362 ps > 0
STL324375 ps > 0
STL324607 ps > 0
STL065847 validation_error Explicit valence for atom # 8 Na, 2, is greater than permitted
STL582570 unacceptable_atom Se
STL055615 ps > 0
STL322937 unacceptable_atom Se
STL323089 unacceptable_atom Se
STL323135 unacceptable_atom Se
STL323258 unacceptable_atom Se
STL323415 ps > 0
STL335291 unacceptable_atom Se
STL503724 unacceptable_atom Fe
STK667451 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted
STL331573 ps > 0
STL331615 ps > 0
STL331870 ps > 0
STL559258 unacceptable_atom Mg
STK688543 ps > 0
STK328068 unacceptable_atom Se
STL438112 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
STL563209 unacceptable_atom Fe
STL563252 unacceptable_atom Fe
STL563279 MW > 999.0
STL563282 ps > 0
STL563286 MW > 999.0
STL563294 ps > 0
STL563300 MW > 999.0
STL563318 ps > 0
STL563324 MW > 999.0
STL563328 MW > 999.0
STL563331 MW > 999.0
STL563336 ps > 0
STL563339 MW > 999.0
STL563340 MW > 999.0
STL563460 MW > 999.0
STL563480 ps > 0
STL563483 ps > 0
STL563489 ps > 0
STL563506 ps > 0
STL563523 ps > 0
STL563577 ps > 0
STK337794 unacceptable_atom Cu
STL145790 unacceptable_atom Se
STL300020 unacceptable_atom Se
STL197469 MW < 50.0
STL282721 no_acceptable_nonsalt_component
STK675743 unacceptable_atom Se
STK752175 ps > 0
STL058759 validation_error Explicit valence for atom # 15 O, 3, is greater than permitted
STL058760 validation_error Explicit valence for atom # 21 O, 3, is greater than permitted
STL058764 validation_error Explicit valence for atom # 12 O, 3, is greater than permitted
STL058766 validation_error Explicit valence for atom # 23 O, 3, is greater than permitted
STL058783 validation_error Explicit valence for atom # 28 O, 3, is greater than permitted
STL058790 validation_error Explicit valence for atom # 20 O, 3, is greater than permitted
STL058792 validation_error Explicit valence for atom # 21 O, 3, is greater than permitted
STL058814 validation_error Explicit valence for atom # 14 O, 3, is greater than permitted
STL058873 unacceptable_atom Co
STL058889 unacceptable_atom Co
STL058892 unacceptable_atom Cu
STL058903 unacceptable_atom Co
STL058905 unacceptable_atom Zn
STL058989 unacceptable_atom Zn
STL059000 MW > 999.0
STL059038 unacceptable_atom V
STL059052 MW > 999.0
STL059056 MW > 999.0
STL059097 unacceptable_atom V
STL059111 ps > 0
STL059134 unacceptable_atom Zn
STL059228 MW > 999.0
STL312263 unacceptable_atom Fe
STK836466 ps > 0
STK723902 unacceptable_atom Se
STK927061 MW > 999.0
STL040688 ps > 0
STL040763 unacceptable_atom Co
STL040898 ps > 0
STK089221 ps > 0
STK351008 unacceptable_atom Na
STK351009 unacceptable_atom Na
STK351010 unacceptable_atom K
STK351011 unacceptable_atom Na
STK351012 unacceptable_atom Na
STK351013 unacceptable_atom Na
STK351014 unacceptable_atom Na
STK351015 unacceptable_atom Na
STK351016 unacceptable_atom Na
STK695675 validation_error Explicit valence for atom # 27 N, 4, is greater than permitted
STK699794 unacceptable_atom Se
STK699962 unacceptable_atom Se
STK370468 MW > 999.0
STK370471 MW > 999.0
STK370472 MW > 999.0
STK370941 unacceptable_atom Se
STK367172 MW > 999.0
STK367204 ps > 0
STK367240 unacceptable_atom Ba
STK367447 unacceptable_atom Se
STK367553 ps > 0
STK367554 ps > 0
STK367555 ps > 0
STK367556 ps > 0
STK367557 ps > 0
STK367558 ps > 0
STK367559 ps > 0
STK367564 ps > 0
STK367566 ps > 0
STK367567 ps > 0
STK367568 ps > 0
STK367569 ps > 0
STL347485 unacceptable_atom Fe
STK532055 unacceptable_atom Co
STK369194 MW > 999.0
STL367496 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
STK364550 ps > 0
STK364551 ps > 0
STK529218 ps > 0
STK529226 ps > 0
STK529235 ps > 0
STK184748 ps > 0
STK184756 ps > 0
STK184762 ps > 0
STK184766 ps > 0
STK184767 ps > 0
STK184770 ps > 0
STK184771 ps > 0
STK184773 ps > 0
STK184776 ps > 0
STK184777 ps > 0
STK184779 ps > 0
STK184781 ps > 0
STK184783 ps > 0
STK192095 ps > 0
STK192099 ps > 0
STK525991 unacceptable_atom Cu
STK042425 ps > 0
STK007153 ps > 0
STK108759 ps > 0
STK101189 ps > 0
STK106647 ps > 0
STK106071 ps > 0
STK089381 ps > 0
STK683187 unacceptable_atom Se
STK683188 unacceptable_atom Se
STK097158 ps > 0
STK017391 ps > 0
STL576568 validation_error Explicit valence for atom # 20 N, 4, is greater than permitted
STL109905 unacceptable_atom Mn
STL298625 ps > 0
STL298626 ps > 0
STL298627 unacceptable_atom Se
STL433383 ps > 0
STK467423 MW > 999.0
STL112889 unacceptable_atom Se
STL112890 unacceptable_atom Se
STL436860 ps > 0
STK684259 unacceptable_atom Se
STK893823 unacceptable_atom K
STK894004 unacceptable_atom K
STK870150 unacceptable_atom Zn
STK870187 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STK870204 validation_error Explicit valence for atom # 0 B, 6, is greater than permitted
STK870205 validation_error Explicit valence for atom # 0 B, 6, is greater than permitted
STK870206 validation_error Explicit valence for atom # 0 B, 6, is greater than permitted
STK870209 validation_error Explicit valence for atom # 0 B, 5, is greater than permitted
STK870224 validation_error Explicit valence for atom # 9 O, 3, is greater than permitted
STL565832 MW > 999.0
STL565848 MW > 999.0
STL565899 MW > 999.0
STL565976 MW > 999.0
STL565989 MW > 999.0
STL566003 MW > 999.0
STL565149 MW > 999.0
STL566160 MW > 999.0
STL566241 MW > 999.0
STL337606 unacceptable_atom Se
STL337932 unacceptable_atom Zn
STK667433 validation_error Explicit valence for atom # 16 N, 4, is greater than permitted
STK149408 ps > 0
STK383327 MW > 999.0
STK543729 unacceptable_atom Se
STK362975 unacceptable_atom Mn
STL331963 ps > 0
STL332006 ps > 0
STL332150 ps > 0
STL332386 ps > 0
STL332410 ps > 0
STK023979 validation_error Explicit valence for atom # 15 Na, 2, is greater than permitted
STL344073 ps > 0
STL512399 unacceptable_atom Zn
STL512546 unacceptable_atom Cu
STK332022 unacceptable_atom Fe
STK332024 unacceptable_atom Fe
STK332025 unacceptable_atom Fe
STK332026 unacceptable_atom Fe
STK332027 unacceptable_atom Fe
STK332028 unacceptable_atom Fe
STK332030 unacceptable_atom Fe
STK332032 unacceptable_atom Fe
STK332033 unacceptable_atom Fe
STK332036 unacceptable_atom Fe
STK332037 unacceptable_atom Fe
STK332038 unacceptable_atom Fe
STK332039 unacceptable_atom Fe
STK332040 unacceptable_atom Fe
STK332042 unacceptable_atom Fe
STK332043 unacceptable_atom Fe
STK332044 unacceptable_atom Fe
STK332045 unacceptable_atom Fe
STK332046 unacceptable_atom Fe
STK332053 unacceptable_atom Fe
STK332054 unacceptable_atom Fe
STK332090 unacceptable_atom Se
STK332118 unacceptable_atom Fe
STK332120 unacceptable_atom Fe
STL147817 unacceptable_atom Se
STL232093 unacceptable_atom Zn
STL232095 unacceptable_atom Co
STK522214 ps > 0
STK069039 sss > 0
STK011197 validation_error Explicit valence for atom # 22 Na, 2, is greater than permitted
STK007740 unacceptable_atom Fe
STK669173 MW > 999.0
STK669498 MW > 999.0
STK920442 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920443 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920444 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920445 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920446 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920447 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920448 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920449 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920450 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted
STK920451 validation_error Explicit valence for atom # 25 N, 4, is greater than permitted
STK990724 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STK990725 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STK990726 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK990727 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920452 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920453 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
STK920454 validation_error Explicit valence for atom # 23 N, 4, is greater than permitted
STK920455 validation_error Explicit valence for atom # 23 N, 4, is greater than permitted
STK920456 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
STK920457 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
STK920458 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
STK920459 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
STK920460 validation_error Explicit valence for atom # 23 N, 4, is greater than permitted
STK920461 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
STK920462 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
STK920463 validation_error Explicit valence for atom # 25 N, 4, is greater than permitted
STK920464 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920465 validation_error Explicit valence for atom # 24 N, 4, is greater than permitted
STK920466 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920467 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920468 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920469 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920470 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920471 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920472 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920473 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920474 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920475 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920476 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920477 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920478 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920479 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920480 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920481 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920482 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK920483 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted
STK920484 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920485 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
STK920486 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920487 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
STK920488 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920489 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920490 validation_error Explicit valence for atom # 24 N, 4, is greater than permitted
STK920491 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920492 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK990728 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STK990729 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STK920493 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920494 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920495 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920496 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920497 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK990730 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920498 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK990731 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920499 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920500 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920501 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920502 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920503 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920504 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920505 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920506 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920507 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920508 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK920509 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920510 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920511 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920512 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
STK920513 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920514 validation_error Explicit valence for atom # 21 N, 4, is greater than permitted
STK990732 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920515 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920516 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920517 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK990733 validation_error Explicit valence for atom # 25 N, 4, is greater than permitted
STK920518 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920519 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920520 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920521 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
STK920522 validation_error Explicit valence for atom # 24 N, 4, is greater than permitted
STK920523 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STK920524 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STL019542 ps > 0
STL019550 ps > 0
STL582618 unacceptable_atom Te
STL582620 unacceptable_atom Te
STL582633 unacceptable_atom Te
STL582640 unacceptable_atom Te
STL582641 unacceptable_atom Te
STL582642 ps > 0
STK026023 unacceptable_atom Sm
STK060489 unacceptable_atom Tb
STK038968 unacceptable_atom Co
STK024338 validation_error Explicit valence for atom # 2 Si, 8, is greater than permitted
STK538724 ps > 0
STL327051 ps > 0
STL327225 ps > 0
STL327240 ps > 0
STL342843 ps > 0
STL343171 ps > 0
STL513501 MW > 999.0
STK499043 ps > 0
STL062440 unacceptable_atom Hg
STK803667 validation_error Explicit valence for atom # 16 C, 5, is greater than permitted
STK541426 ps > 0
STL525478 MW > 999.0
STL525545 MW > 999.0
STL525633 MW > 999.0
STL525640 MW > 999.0
STL525870 unacceptable_atom Co
STK544769 ps > 0
STL333138 unacceptable_atom Se
STL333280 unacceptable_atom Se
STL333296 unacceptable_atom Se
STL333471 unacceptable_atom Se
STK396291 unacceptable_atom Se
STK550696 ps > 0
STK745115 MW > 999.0
STL019965 ps > 0
STL019966 ps > 0
STK829698 validation_error Explicit valence for atom # 20 N, 4, is greater than permitted
STL579819 ps > 0
STL579873 unacceptable_atom Cu
STL577999 ps > 0
STL581908 unacceptable_atom Se
STL185539 unacceptable_atom Li
STL185613 non-hydrogen_atoms < 4
STL168036 MW < 50.0
STL168869 unacceptable_atom Co
STL168870 unacceptable_atom Co
STL146990 MW > 999.0
STL147009 MW > 999.0
STL147045 MW > 999.0
STL580621 ps > 0
STL580747 unacceptable_atom Se
STL580807 ps > 0
STK354695 unacceptable_atom Fe
STK835997 ps > 0
STK529980 ps > 0
STK529995 ps > 0
STK530077 unacceptable_atom Cu
STL420217 validation_error Explicit valence for atom # 20 N, 4, is greater than permitted
STK284611 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK379549 no_acceptable_nonsalt_component
STK379550 no_acceptable_nonsalt_component
STK524785 unacceptable_atom Fe
STK524794 unacceptable_atom Zn
STK524834 unacceptable_atom Zn
STK524923 unacceptable_atom Fe
STK525199 ps > 0
STL279128 validation_error Explicit valence for atom # 10 N, 4, is greater than permitted
STL043203 ps > 0
STL043205 MW > 999.0
STL043281 unacceptable_atom Ni
STK177209 MW > 999.0
STK177298 MW > 999.0
STK177328 MW > 999.0
STK177341 unacceptable_atom Na
STK531089 MW > 999.0
STK531099 MW > 999.0
STK531157 unacceptable_atom Cu
STK370084 validation_error Explicit valence for atom # 1 Ge, 6, is greater than permitted
STL431206 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STL199173 no_acceptable_nonsalt_component
STK685515 ps > 0
STK688617 unacceptable_atom Se
STL564604 MW > 999.0
STL564703 MW > 999.0
STL564740 MW > 999.0
STL565144 MW > 999.0
STL547011 unacceptable_atom Se
STL575452 sss > 0
STL573831 unacceptable_atom Se
STK098085 unacceptable_atom Se
STK091365 unacceptable_atom Se
STK069803 unacceptable_atom Se
STK681114 isotopes2h > 0
STL560463 validation_error Explicit valence for atom # 14 O, 3, is greater than permitted
STL574045 unacceptable_atom Se
STK513705 unacceptable_atom Na
STK513706 unacceptable_atom Na
STK513707 unacceptable_atom Na
STK513708 unacceptable_atom Na
STK674976 ps > 0
STL168875 validation_error Explicit valence for atom # 23 O, 3, is greater than permitted
STL168876 validation_error Explicit valence for atom # 8 O, 3, is greater than permitted
STL168877 validation_error Explicit valence for atom # 20 O, 3, is greater than permitted
STK070033 isotopes2h > 0
STK687256 unacceptable_atom Se
STK922514 unacceptable_atom Fe
STK922515 unacceptable_atom Fe
STL564323 MW > 999.0
STL564347 MW > 999.0
STL564377 MW > 999.0
STL564378 MW > 999.0
STL564391 MW > 999.0
STL564417 MW > 999.0
STL564431 MW > 999.0
STL564435 MW > 999.0
STL564448 MW > 999.0
STL564465 MW > 999.0
STL564506 MW > 999.0
STL564546 MW > 999.0
STL344894 ps > 0
STK349908 unacceptable_atom Na
STK349978 unacceptable_atom Na
STK694573 unacceptable_atom Se
STK371630 MW > 999.0
STK371631 unacceptable_atom Fe
STK371872 unacceptable_atom Se
STK371995 unacceptable_atom K
STL303063 unacceptable_atom Se
STK802376 MW < 50.0
STK377122 ps > 0
STK526574 unacceptable_atom Mn
STK526577 unacceptable_atom Se
STK526581 unacceptable_atom Se
STL373472 MW < 50.0
STL373474 ps > 0
STL311107 ps > 0
STL146429 MW < 50.0
STL146464 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
STL146526 non-hydrogen_atoms < 4
STL146595 unacceptable_atom Sb
STL146598 unacceptable_atom Pb
STL146602 unacceptable_atom Ti
STL146628 unacceptable_atom Se
STL281853 MW < 50.0
STK365604 pp > 0
STK365638 ps > 0
STK365648 unacceptable_atom Fe
STK365672 MW > 999.0
STK365673 MW > 999.0
STK365675 MW > 999.0
STK365676 MW > 999.0
STK365677 MW > 999.0
STL582178 ps > 0
STK386043 unacceptable_atom Se
STL580963 unacceptable_atom Se
STL580975 unacceptable_atom Se
STL580978 unacceptable_atom Se
STL580998 unacceptable_atom Se
STL581066 ps > 0
STK808363 ps > 0
STK808365 ps > 0
STK667250 unacceptable_atom Se
STK743634 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK743637 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK743641 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STK743646 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STK743650 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
STK743655 validation_error Explicit valence for atom # 10 N, 4, is greater than permitted
STK037402 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
STK076707 unacceptable_atom Na
STK788475 validation_error Explicit valence for atom # 19 Na, 2, is greater than permitted
STL020591 unacceptable_atom Na
STL388660 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
STK075220 MW > 999.0
STK064122 MW > 999.0
STK070932 MW > 999.0
STK025762 MW > 999.0
STK011905 MW > 999.0
STK671821 MW > 999.0
STK671822 MW > 999.0
STK671824 MW > 999.0
STL578242 MW > 999.0
STL578244 MW > 999.0
STL581432 unacceptable_atom Fe
STL578288 MW > 999.0
STL578295 MW > 999.0
STL578297 MW > 999.0
STL578299 MW > 999.0
STL581438 MW > 999.0
STL578308 MW > 999.0
STL581443 unacceptable_atom Fe
STL578351 MW > 999.0
STL578361 MW > 999.0
STL578363 MW > 999.0
STL578364 MW > 999.0
STL578369 MW > 999.0
STL321977 unacceptable_atom Ge
STL322245 unacceptable_atom Se
STL524994 MW > 999.0
STL524996 MW > 999.0
STK523269 unacceptable_atom Se
STK384447 ps > 0
STK149369 ps > 0
STK149374 ps > 0
STK535939 MW > 999.0
STK536019 unacceptable_atom V
STL115749 unacceptable_atom Se
STL115750 unacceptable_atom Se
STL115752 unacceptable_atom Se
STL115754 unacceptable_atom Se
STL115757 unacceptable_atom Se
STL372655 unacceptable_atom Na
STL115747 unacceptable_atom Se
STL115748 unacceptable_atom Se
STL352976 unacceptable_atom Se
STL352977 unacceptable_atom Se
STL115751 unacceptable_atom Se
STL352978 unacceptable_atom Se
STL352979 unacceptable_atom Se
STL115753 unacceptable_atom Se
STL115755 unacceptable_atom Se
STL115756 unacceptable_atom Se
STL115758 unacceptable_atom Se
STL115759 unacceptable_atom Se
STL115760 unacceptable_atom Se
STL325352 unacceptable_atom Se
STL325572 ps > 0
STL325580 ps > 0
STL325638 ps > 0
STL325694 ps > 0
STL325778 unacceptable_atom Se
STL328697 unacceptable_atom Ni
STL328730 unacceptable_atom Se
STL328966 unacceptable_atom Se
STL329018 unacceptable_atom Fe
STL329109 unacceptable_atom Se
STL329114 unacceptable_atom Se
STL329160 unacceptable_atom Se
STK768227 ps > 0
STK768228 ps > 0
STK768316 ps > 0
STK768325 ps > 0
STL057422 MW > 999.0
STL508690 validation_error Explicit valence for atom # 3 B, 4, is greater than permitted
STL508692 validation_error Explicit valence for atom # 23 O, 3, is greater than permitted
STL332458 ps > 0
STK094591 validation_error Explicit valence for atom # 23 K, 2, is greater than permitted
STK164580 unacceptable_atom Se
STK164582 ps > 0
STK164583 ps > 0
STK325962 ps > 0
STL338083 unacceptable_atom Se
STK542994 ps > 0
STL048363 ps > 0
STL048412 unacceptable_atom Zn
STL048644 unacceptable_atom Cu
STL513098 unacceptable_atom Fe
STL513276 unacceptable_atom Co
STK537919 unacceptable_atom Mn
STK537995 MW > 999.0
STK538212 ps > 0
STL169389 ps > 0
STL147083 unacceptable_atom Fe
STL147157 MW > 999.0
STL147204 unacceptable_atom Fe
STL147210 unacceptable_atom Fe
STL147238 unacceptable_atom Ge
STL436044 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted
STL578073 ps > 0
STL578081 ps > 0
STL581343 ps > 0
STL578092 ps > 0
STL578097 ps > 0
STL578107 ps > 0
STL582591 unacceptable_atom Fe
STL582592 unacceptable_atom Fe
STL582597 unacceptable_atom Fe
STL582599 unacceptable_atom Fe
STL582600 unacceptable_atom Fe
STL582616 unacceptable_atom Fe
STL582256 unacceptable_atom Zn
STL581697 MW > 999.0
STL582531 unacceptable_atom As
STL582532 unacceptable_atom As
STL529156 MW > 999.0
STK296339 MW > 999.0
STK296383 MW > 999.0
STK053258 isotopes2h > 0
STK672840 ps > 0
STK019119 unacceptable_atom K
STL367729 unacceptable_atom Cu
STL367947 validation_error Explicit valence for atom # 13 N, 4, is greater than permitted
STL367948 validation_error Explicit valence for atom # 18 N, 4, is greater than permitted
STL367949 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
STL367950 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
STL368040 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
STK368318 unacceptable_atom Fe
STK368319 unacceptable_atom Fe
STK368320 unacceptable_atom Fe
STK368321 unacceptable_atom Fe
STK368322 unacceptable_atom Fe
STK368323 unacceptable_atom Fe
STK368324 unacceptable_atom Fe
STK368325 unacceptable_atom Cu
STK368329 ps > 0
STK368330 ps > 0
STK368333 unacceptable_atom Te
STK368337 MW > 999.0
STK368338 MW > 999.0
STK368373 unacceptable_atom Bi
STK368450 unacceptable_atom As
STK368765 ps > 0
STK387106 no_acceptable_nonsalt_component
STK525415 ps > 0
STK525457 ps > 0
STK525746 unacceptable_atom Fe
STK100428 validation_error Explicit valence for atom # 13 O, 3, is greater than permitted
STK379812 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STK379813 validation_error Explicit valence for atom # 16 N, 4, is greater than permitted
STK379814 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
STK528397 unacceptable_atom Cu
STK374876 unacceptable_atom Se
STK374981 ps > 0
STK332047 unacceptable_atom Fe
STK332048 unacceptable_atom Fe
STK332049 unacceptable_atom Fe
STK332050 unacceptable_atom Fe
STK332051 unacceptable_atom Fe
STK358634 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
STL567425 unacceptable_atom Cu
STL552727 unacceptable_atom Co
STL552924 unacceptable_atom Co
STL566308 MW > 999.0
STL566343 MW > 999.0
STL566576 unacceptable_atom Fe
STK066836 ps > 0
STK414829 validation_error Explicit valence for atom # 7 C, 5, is greater than permitted
STL559921 unacceptable_atom Mn
STL085976 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
STL125442 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
STL125460 unacceptable_atom Na
STL125465 unacceptable_atom Na
STL125466 unacceptable_atom Na
STL125467 unacceptable_atom Na
STL125476 unacceptable_atom Na
STL125477 unacceptable_atom Na
STK026448 unacceptable_atom Tm
STK386894 ps > 0
STK386898 ps > 0
STK326389 ps > 0
STK386900 ps > 0
STK386901 ps > 0
STK043210 ps > 0
STK386903 ps > 0
STK386913 ps > 0
STK897842 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
STL442634 unacceptable_atom Fe
STK645628 unacceptable_atom Se
STL298443 unacceptable_atom Se
STK366118 MW > 999.0
STK366131 MW > 999.0
STK366257 MW > 999.0
STL069502 unacceptable_atom Ag
STL372988 MW > 999.0
STL059324 unacceptable_atom Ge
STL059346 ps > 0
STL059376 unacceptable_atom Ge
STL059379 unacceptable_atom Ge
STL059386 unacceptable_atom Ge
STL059390 unacceptable_atom Fe
STL059393 validation_error Explicit valence for atom # 15 Ge, 6, is greater than permitted
STL059405 validation_error Explicit valence for atom # 1 Ge, 6, is greater than permitted
STL059412 validation_error Explicit valence for atom # 1 Ge, 6, is greater than permitted
STK115634 validation_error Explicit valence for atom # 27 N, 4, is greater than permitted
STK527800 MW > 999.0
STK527902 unacceptable_atom Se
STK528066 MW > 999.0
STK378541 ps > 0
STK378542 ps > 0
STK378543 ps > 0
STK378545 unacceptable_atom Na
STK378740 unacceptable_atom Pb
STK378746 unacceptable_atom Se
STL349696 unacceptable_atom Se
STL349818 ps > 0
STL368242 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
STL582586 unacceptable_atom Fe
STL582587 unacceptable_atom Fe
STK726936 MW > 999.0
STK367691 ps > 0
STK367816 ps > 0
STK367939 unacceptable_atom Se
STK368108 unacceptable_atom Se
STK368153 unacceptable_atom Se
STK371231 unacceptable_atom Fe
STK371244 unacceptable_atom Fe
STK371245 unacceptable_atom Fe
STK371246 ps > 0
STK371453 unacceptable_atom Ge
STK371454 unacceptable_atom Ge
STK371455 unacceptable_atom Ge
STK371458 unacceptable_atom Ge
STK371462 unacceptable_atom Ge
STK695240 unacceptable_atom Se
STK886100 unacceptable_atom Se
STK826649 unacceptable_atom Se
STK886159 unacceptable_atom Se
STK826680 unacceptable_atom Se
STK886160 unacceptable_atom Se
STK886161 unacceptable_atom Se
STK886162 unacceptable_atom Se
STK826681 unacceptable_atom Se
STK826682 unacceptable_atom Se
STK826683 unacceptable_atom Se
STK826684 unacceptable_atom Se
STK955614 ps > 0
STL360874 validation_error Explicit valence for atom # 29 Na, 2, is greater than permitted
STL570413 unacceptable_atom Fe
STL112385 unacceptable_atom Na
STL112386 unacceptable_atom Na
STL112387 unacceptable_atom Na
STL112388 unacceptable_atom Na
STL112389 unacceptable_atom Na
STK072669 isotopes2h > 0
STL297643 unacceptable_atom Se
STL297728 ps > 0
STK539491 ps > 0
STL341759 ps > 0
STK290826 validation_error Explicit valence for atom # 12 N, 4, is greater than permitted
STL528882 MW > 999.0
STL331081 ps > 0
STL331307 ps > 0
STK779700 ps > 0
STK400073 unacceptable_atom Na
STK701359 unacceptable_atom Se
STK701360 unacceptable_atom Se
STK667444 validation_error Explicit valence for atom # 20 N, 4, is greater than permitted
STL388443 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STL495774 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
STK149179 validation_error Explicit valence for atom # 33 N, 4, is greater than permitted
STL252708 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
STL334644 unacceptable_atom Zn
STL334744 ps > 0
STL323466 ps > 0
STL323514 ps > 0
STL323550 ps > 0
STL323649 ps > 0
STL323707 ps > 0
STL323750 ps > 0
STL503649 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted