C14442 ps > 0
C14436 ps > 0
C14434 ps > 0
C14431 ps > 0
C14429 ps > 0
C14426 ps > 0
C14420 ps > 0
C14326 ps > 0
C14324 ps > 0
C14322 ps > 0
C14282 unacceptable_atom Hg
C14228 ps > 0
C13768 unacceptable_atom *
C14119 MW > 999.0
C14118 MW > 999.0
C14117 MW > 999.0
C14116 MW > 999.0
C14064 unacceptable_atom *
C14055 unacceptable_atom *
C14042 no_acceptable_nonsalt_component
C13938 MW > 999.0
C13937 MW > 999.0
C13932 validation_error Sanitization error: Explicit valence for atom # 21 O, 4, is greater than permitted
C13926 unacceptable_atom *
C13925 unacceptable_atom *
C13924 unacceptable_atom *
C13923 unacceptable_atom *
C13922 unacceptable_atom *
C13921 unacceptable_atom *
C13920 unacceptable_atom *
C13918 MW > 999.0
C13909 MW > 999.0
C13908 MW > 999.0
C13907 MW > 999.0
C13897 MW > 999.0
C13896 MW > 999.0
C11439 unacceptable_atom *
C11385 unacceptable_atom *
C11377 unacceptable_atom *
Line #88 Failed to load mol
C11340 unacceptable_atom Sb
C11336 unacceptable_atom Hg
C11334 unacceptable_atom *
C11316 unacceptable_atom As
C11244 unacceptable_atom Mg,*
C11243 unacceptable_atom Mg
C11242 unacceptable_atom Mg
C11218 MW > 999.0
C11215 unacceptable_atom As
C11213 MW > 999.0
C11198 MW > 999.0
C11151 unacceptable_atom Hg
C11147 MW < 50.0
C11146 unacceptable_atom Hg
C11145 no_acceptable_nonsalt_component
C11144 MW < 50.0
Line #331 Failed to load mol
C11030 ps > 0
C11028 ps > 0
C11027 ps > 0
C11026 ps > 0
C11025 ps > 0
C11023 ps > 0
C11022 ps > 0
C11018 ps > 0
C11002 ps > 0
C10917 sss > 0
C20758 unacceptable_atom *
C20757 unacceptable_atom *
C20756 unacceptable_atom *
C20755 unacceptable_atom *
C20754 unacceptable_atom *
C20753 unacceptable_atom *
C20752 unacceptable_atom *
C20751 unacceptable_atom *
C20743 unacceptable_atom *
C20735 unacceptable_atom *
C20734 unacceptable_atom *
C20732 unacceptable_atom *
C20730 unacceptable_atom *
C20729 unacceptable_atom *
C20723 unacceptable_atom *
C20722 unacceptable_atom *
C20721 MW > 999.0
C20720 MW > 999.0
C20719 MW > 999.0
C20713 MW > 999.0
C20707 MW > 999.0
C20691 unacceptable_atom *
C20688 unacceptable_atom *
C20683 unacceptable_atom *
C20679 unacceptable_atom W
C20676 unacceptable_atom *
C20675 unacceptable_atom *
C20663 unacceptable_atom *
C20662 unacceptable_atom *
C20661 unacceptable_atom *
C20660 unacceptable_atom *
C20659 unacceptable_atom *
Line #114 Failed to load mol
C20652 unacceptable_atom *
C20649 unacceptable_atom *
C20648 unacceptable_atom *
C20647 unacceptable_atom *
C20627 MW > 999.0
C20626 MW > 999.0
C20625 MW > 999.0
C20622 MW > 999.0
C20621 MW > 999.0
C20620 MW > 999.0
C20619 MW > 999.0
C20618 MW > 999.0
C20617 MW > 999.0
Line #152 Failed to load mol
C20580 unacceptable_atom *
C20498 MW > 999.0
C20497 MW > 999.0
C20474 unacceptable_atom *
C20473 unacceptable_atom *
C20472 unacceptable_atom *
C20471 unacceptable_atom *
C20467 unacceptable_atom *
C20461 unacceptable_atom *
C20459 unacceptable_atom *
C20458 unacceptable_atom *
C20451 unacceptable_atom *
C20446 unacceptable_atom *
C20442 unacceptable_atom *
C20427 MW > 999.0
C20421 MW > 999.0
C20416 MW > 999.0
C20390 MW > 999.0
C20378 unacceptable_atom *
C20377 unacceptable_atom *
C20376 unacceptable_atom *
C20375 unacceptable_atom *
C20374 unacceptable_atom *
C20373 unacceptable_atom *
C20372 unacceptable_atom *
C20302 MW < 50.0
C20300 unacceptable_atom As
C20298 unacceptable_atom As
C20296 unacceptable_atom As
C20295 unacceptable_atom Cr
C20294 unacceptable_atom Cr
C05764 unacceptable_atom *
C05763 unacceptable_atom *
C05762 unacceptable_atom *
C05761 unacceptable_atom *
C05760 unacceptable_atom *
C05759 unacceptable_atom *
C05758 unacceptable_atom *
C05757 unacceptable_atom *
C05756 unacceptable_atom *
C05755 unacceptable_atom *
C05754 unacceptable_atom *
C05753 unacceptable_atom *
C05752 unacceptable_atom *
C05751 unacceptable_atom *
C05750 unacceptable_atom *
C05749 unacceptable_atom *
C05748 unacceptable_atom *
C05747 unacceptable_atom *
C05746 unacceptable_atom *
C05745 unacceptable_atom *
C05744 unacceptable_atom *
Line #26 Failed to load mol
C05729 unacceptable_atom *
C05727 unacceptable_atom *
C05726 unacceptable_atom *
C05723 unacceptable_atom *
C05718 unacceptable_atom *
C05713 unacceptable_atom *
C05712 unacceptable_atom *
C05710 unacceptable_atom *
C05708 unacceptable_atom Se
C05707 unacceptable_atom Se
C05706 unacceptable_atom Se
C05705 unacceptable_atom Se
C05704 unacceptable_atom Se
C05703 unacceptable_atom Se
C05699 unacceptable_atom Se
C05698 unacceptable_atom Se
C05697 unacceptable_atom Se
C05696 unacceptable_atom Se
C05695 unacceptable_atom Se
Line #55 Failed to load mol
Line #56 Failed to load mol
C05692 unacceptable_atom Se
C05691 unacceptable_atom Se
C05690 unacceptable_atom Se
C05689 unacceptable_atom Se
C05688 unacceptable_atom Se
C05686 unacceptable_atom Se
C05684 unacceptable_atom Se
C05681 unacceptable_atom *
Line #70 Failed to load mol
C05676 unacceptable_atom *
C05675 unacceptable_atom *
Line #119 Failed to load mol
Line #124 Failed to load mol
C05590 non-hydrogen_atoms < 4
C05546 unacceptable_atom *
C05545 unacceptable_atom *
C05544 unacceptable_atom *
C05535 unacceptable_atom *
Line #174 Failed to load mol
C05467 MW > 999.0
C05460 MW > 999.0
C05450 MW > 999.0
C05449 MW > 999.0
C05448 MW > 999.0
C05447 MW > 999.0
Line #269 Failed to load mol
C05370 MW > 999.0
C05361 MW < 50.0
C05360 MW < 50.0
Line #285 Failed to load mol
Line #286 Failed to load mol
Line #287 Failed to load mol
C05337 MW > 999.0
C05336 unacceptable_atom *,Se
C05335 unacceptable_atom Se
C05329 unacceptable_atom *
C05326 unacceptable_atom *
C05321 unacceptable_atom *
C05320 unacceptable_atom *
C05319 unacceptable_atom *
C05312 unacceptable_atom *
Line #324 Failed to load mol
C05307 unacceptable_atom Mg
C05306 unacceptable_atom Mg
Line #328 Failed to load mol
C05272 MW > 999.0
C05259 MW > 999.0
C05258 MW > 999.0
C05250 unacceptable_atom *
C05234 unacceptable_atom *
C05232 unacceptable_atom *
Line #380 Failed to load mol
C05226 unacceptable_atom *
C05223 unacceptable_atom *
C05218 unacceptable_atom *
C05217 unacceptable_atom *
C05212 unacceptable_atom *
C05210 unacceptable_atom *
C05209 unacceptable_atom *
C05208 unacceptable_atom *
C05207 unacceptable_atom *
C05206 unacceptable_atom *
C05205 unacceptable_atom *
Line #398 Failed to load mol
C05197 unacceptable_atom *
Line #401 Failed to load mol
Line #408 Failed to load mol
C05172 unacceptable_atom Se
C05167 unacceptable_atom *
C05159 unacceptable_atom *
C05157 unacceptable_atom *
C05156 unacceptable_atom *
C05144 unacceptable_atom *
Line #452 Failed to load mol
C05102 unacceptable_atom *
C05086 MW > 999.0
C05073 MW > 999.0
C05067 unacceptable_atom *
C05057 unacceptable_atom *
C05009 unacceptable_atom *,Fe
Line #483 Failed to load mol
C04944 unacceptable_atom *
C04943 unacceptable_atom *
C04942 unacceptable_atom *
C04940 unacceptable_atom *
C04939 unacceptable_atom *
C04938 unacceptable_atom *
C04937 unacceptable_atom *
C04936 unacceptable_atom *
C04934 unacceptable_atom *
C04932 MW > 999.0
C04930 unacceptable_atom *
C04927 unacceptable_atom *
C04926 unacceptable_atom *
C04925 unacceptable_atom *
Line #14 Failed to load mol
C06410 unacceptable_atom Co
C06409 unacceptable_atom Co
C06404 unacceptable_atom *
C06403 unacceptable_atom *
C06396 unacceptable_atom *
C06395 unacceptable_atom *
C06389 unacceptable_atom *
C06388 unacceptable_atom *
C06380 unacceptable_atom *
C06379 unacceptable_atom *
C06378 unacceptable_atom *
C06374 unacceptable_atom *
C06370 unacceptable_atom *
C06365 unacceptable_atom *
C06364 unacceptable_atom *
Line #57 Failed to load mol
Line #58 Failed to load mol
C06361 unacceptable_atom *
C06357 unacceptable_atom *
C06302 unacceptable_atom *
C06300 unacceptable_atom *
C06299 unacceptable_atom *
C06297 unacceptable_atom *
C06273 unacceptable_atom *
C06272 unacceptable_atom *
C06269 unacceptable_atom As
C06268 unacceptable_atom Cr
Line #124 Failed to load mol
Line #125 Failed to load mol
Line #126 Failed to load mol
Line #127 Failed to load mol
Line #128 Failed to load mol
Line #129 Failed to load mol
Line #130 Failed to load mol
Line #131 Failed to load mol
Line #132 Failed to load mol
C06254 unacceptable_atom *
C06251 MW > 999.0
C06250 unacceptable_atom *
C06249 unacceptable_atom *
C06247 unacceptable_atom *
C06246 unacceptable_atom *
C06232 unacceptable_atom Mo
C06228 unacceptable_atom Fe
C06227 unacceptable_atom *,Fe
C06216 MW > 999.0
C06157 unacceptable_atom *
C06143 unacceptable_atom *
C06141 unacceptable_atom *
C06140 unacceptable_atom *
C06139 unacceptable_atom *
C06138 unacceptable_atom *
C06136 unacceptable_atom *
C06135 unacceptable_atom *
C06134 unacceptable_atom *
C06133 unacceptable_atom *
C06132 unacceptable_atom *
C06131 unacceptable_atom *
C06130 unacceptable_atom *
Line #230 Failed to load mol
C06128 unacceptable_atom *
C06127 unacceptable_atom *
C06126 unacceptable_atom *
C06125 unacceptable_atom *
C06113 unacceptable_atom *
C06112 unacceptable_atom *
Line #244 Failed to load mol
Line #245 Failed to load mol
Line #264 Failed to load mol
Line #265 Failed to load mol
Line #272 Failed to load mol
C06062 unacceptable_atom *
Line #283 Failed to load mol
Line #284 Failed to load mol
C06058 unacceptable_atom *
C06049 unacceptable_atom *
C06042 unacceptable_atom *
C06041 unacceptable_atom *
C06040 unacceptable_atom *
C06038 unacceptable_atom *
C06037 unacceptable_atom *
C06036 unacceptable_atom *
C06026 MW > 999.0
C06025 MW > 999.0
C06024 MW > 999.0
C06021 unacceptable_atom *,Co
C06020 unacceptable_atom *,Co
Line #323 Failed to load mol
Line #334 Failed to load mol
C05981 unacceptable_atom *
C05980 unacceptable_atom *
C05977 unacceptable_atom *
C05976 unacceptable_atom *
C05974 unacceptable_atom *
C05973 unacceptable_atom *
C05920 unacceptable_atom *
C05917 unacceptable_atom *
C05916 unacceptable_atom *
C05915 unacceptable_atom *
C05914 unacceptable_atom *
C05898 MW > 999.0
C05897 MW > 999.0
Line #411 Failed to load mol
C05895 MW > 999.0
C05894 MW > 999.0
C05893 MW > 999.0
C05892 MW > 999.0
Line #416 Failed to load mol
C05868 MW > 999.0
C05864 MW > 999.0
C05861 MW > 999.0
C05860 MW > 999.0
C05850 unacceptable_atom *
C05845 MW > 999.0
Line #472 Failed to load mol
C05796 unacceptable_atom *
Line #484 Failed to load mol
Line #485 Failed to load mol
Line #486 Failed to load mol
Line #487 Failed to load mol
Line #488 Failed to load mol
Line #489 Failed to load mol
Line #490 Failed to load mol
C05777 unacceptable_atom Ni
C05776 unacceptable_atom *,Co
C05774 unacceptable_atom Co
C05773 unacceptable_atom Co
Line #2 Failed to load mol
Line #3 Failed to load mol
C15498 unacceptable_atom *
C15496 unacceptable_atom *
Line #23 Failed to load mol
C15482 MW > 999.0
Line #33 Failed to load mol
Line #34 Failed to load mol
C15455 unacceptable_atom Mo
C15448 unacceptable_atom *
C15435 MW > 999.0
C15426 unacceptable_atom Hg
C15235 unacceptable_atom Sb
C15234 unacceptable_atom Pb
C15233 unacceptable_atom Cd
C15231 unacceptable_atom *,Mn
C15230 ps > 0
C15227 unacceptable_atom Cr
C15226 unacceptable_atom Tl
Line #278 Failed to load mol
C15182 MW > 999.0
C04924 unacceptable_atom *
C04922 unacceptable_atom *
C04920 unacceptable_atom *
C04919 MW > 999.0
C04917 unacceptable_atom *
C04914 unacceptable_atom *
C04913 unacceptable_atom *
C04911 unacceptable_atom *
C04910 unacceptable_atom *
C04909 unacceptable_atom *
C04907 unacceptable_atom *
C04906 unacceptable_atom *
C04903 unacceptable_atom *
C04902 unacceptable_atom *
C04901 unacceptable_atom *
C04898 unacceptable_atom *
C04894 MW > 999.0
C04891 unacceptable_atom *
C04890 unacceptable_atom *
C04887 unacceptable_atom *
C04885 unacceptable_atom *
C04884 unacceptable_atom *
C04882 MW > 999.0
C04881 MW > 999.0
C04880 unacceptable_atom *
C04877 MW > 999.0
C04872 unacceptable_atom *
C04866 unacceptable_atom *
C04855 unacceptable_atom *
C04851 MW > 999.0
C04850 unacceptable_atom *
C04848 unacceptable_atom *
C04845 unacceptable_atom *
C04833 unacceptable_atom *
C04830 MW > 999.0
C04827 unacceptable_atom *
C04825 unacceptable_atom *
C04819 MW > 999.0
C04818 unacceptable_atom *
C04817 unacceptable_atom *
Line #79 Failed to load mol
C04810 unacceptable_atom *
Line #85 Failed to load mol
C04808 MW > 999.0
C04804 MW > 999.0
C04802 unacceptable_atom *
C04801 unacceptable_atom *
C04800 unacceptable_atom *
C04799 unacceptable_atom *
C04792 unacceptable_atom *
C04791 unacceptable_atom *
Line #102 Failed to load mol
C04789 unacceptable_atom *
C04779 unacceptable_atom *
C04776 unacceptable_atom *
C04775 unacceptable_atom *
C04772 unacceptable_atom *
C04768 unacceptable_atom *
C04763 unacceptable_atom *
C04760 MW > 999.0
C04759 unacceptable_atom *
C04756 unacceptable_atom *
C04755 unacceptable_atom *
C04750 unacceptable_atom *
Line #126 Failed to load mol
C04748 unacceptable_atom *
C04740 unacceptable_atom *
C04737 unacceptable_atom *
C04736 unacceptable_atom *
C04735 unacceptable_atom *
C04730 unacceptable_atom *
C04728 unacceptable_atom *
C04727 unacceptable_atom *
C04726 unacceptable_atom *
C04725 unacceptable_atom *
C04724 MW > 999.0
C04714 unacceptable_atom *
C04708 unacceptable_atom *
C04702 MW > 999.0
C04700 MW > 999.0
C04696 unacceptable_atom *
C04692 unacceptable_atom *
C04688 unacceptable_atom *
C04683 unacceptable_atom *
C04682 unacceptable_atom *
C04681 unacceptable_atom *
C04680 unacceptable_atom *
C04679 unacceptable_atom *
C04667 unacceptable_atom *
C04665 unacceptable_atom Co
C04662 unacceptable_atom *
C04657 unacceptable_atom *
C04656 unacceptable_atom *
C04652 MW > 999.0
C04649 unacceptable_atom *
C04648 unacceptable_atom *
C04645 unacceptable_atom *
C04644 MW > 999.0
C04637 unacceptable_atom *
C04636 unacceptable_atom *
C04635 unacceptable_atom *
C04633 unacceptable_atom *
C04632 unacceptable_atom *
C04627 unacceptable_atom *
C04620 unacceptable_atom *
C04619 unacceptable_atom *
C04618 unacceptable_atom *
C04615 MW > 999.0
C04614 unacceptable_atom *
C04598 unacceptable_atom *
Line #264 Failed to load mol
Line #265 Failed to load mol
C04565 unacceptable_atom *
C04564 unacceptable_atom *
C04549 unacceptable_atom *
C04545 unacceptable_atom *
C04542 unacceptable_atom *
Line #288 Failed to load mol
C04536 unacceptable_atom Mg
C04517 unacceptable_atom *
C04515 unacceptable_atom *
C04512 unacceptable_atom *
C04511 unacceptable_atom *
C04510 unacceptable_atom *
C04507 MW > 999.0
C04506 unacceptable_atom *
C04505 unacceptable_atom *
C04504 unacceptable_atom *
C04502 unacceptable_atom *
C04487 unacceptable_atom *
C04482 unacceptable_atom *
C04476 unacceptable_atom *
C04475 unacceptable_atom *
Line #337 Failed to load mol
C04466 unacceptable_atom *
C04465 MW > 999.0
C04459 unacceptable_atom *
C04448 unacceptable_atom *
C04441 unacceptable_atom *
C04438 unacceptable_atom *
C04432 unacceptable_atom *
C04429 unacceptable_atom *
C04422 unacceptable_atom *
C04419 unacceptable_atom *
C04403 MW > 999.0
C04398 unacceptable_atom *
C04397 unacceptable_atom *
Line #388 Failed to load mol
C04394 unacceptable_atom *
C04391 unacceptable_atom *
C04387 unacceptable_atom *
C04386 unacceptable_atom *
C04384 unacceptable_atom *
C04381 unacceptable_atom *
C04375 unacceptable_atom *
C04372 unacceptable_atom *
C04365 unacceptable_atom *
C04361 unacceptable_atom *
C04347 unacceptable_atom *
C04342 unacceptable_atom *
C04341 unacceptable_atom *
C04340 unacceptable_atom *
C04339 unacceptable_atom *
C04334 unacceptable_atom *
C04328 unacceptable_atom *
C04317 unacceptable_atom *
C04315 unacceptable_atom *
C04313 unacceptable_atom *
C04312 unacceptable_atom *
C04311 unacceptable_atom *
C04308 unacceptable_atom *
C04305 unacceptable_atom *
C04298 unacceptable_atom *
C04292 unacceptable_atom *
C04276 unacceptable_atom *
Line #479 Failed to load mol
C04262 unacceptable_atom *
C04261 unacceptable_atom *
C04260 unacceptable_atom *
C04258 unacceptable_atom *
Line #490 Failed to load mol
C04250 unacceptable_atom *
C04248 unacceptable_atom *
C04247 unacceptable_atom *
C04246 unacceptable_atom *
C04239 unacceptable_atom *
C18839 MW > 999.0
C18822 MW > 999.0
C18816 unacceptable_atom Al
C18809 ps > 0
C18797 unacceptable_atom *
C18765 validation_error Sanitization error: Explicit valence for atom # 1 Cl, 5, is greater than permitted
C18762 ps > 0
C18761 ps > 0
C18758 ps > 0
C18757 ps > 0
C18756 ps > 0
C18745 ps > 0
C18725 ps > 0
C18714 unacceptable_atom Cu
C18713 unacceptable_atom Cu
C18712 MW < 50.0
C18711 MW > 999.0
C18703 ps > 0
C18702 ps > 0
C18693 ps > 0
C18692 ps > 0
C18691 ps > 0
C18690 ps > 0
C18687 ps > 0
C18686 ps > 0
C18677 ps > 0
Line #183 Failed to load mol
C18673 MW < 50.0
C18672 unacceptable_atom Hg
C18670 unacceptable_atom Hg
C18669 ps > 0
C18667 ps > 0
C18666 ps > 0
C18665 ps > 0
C18664 ps > 0
C18662 ps > 0
C18661 ps > 0
C18658 ps > 0
C18657 ps > 0
C18655 ps > 0
C18648 unacceptable_atom As
C18647 unacceptable_atom As
C18644 ps > 0
C18618 unacceptable_atom *
C18617 unacceptable_atom *
C18616 unacceptable_atom *
C18586 MW < 50.0
C18567 unacceptable_atom Tl
C18566 MW < 50.0
C18469 ps > 0
C18448 non-hydrogen_atoms < 4
C18447 non-hydrogen_atoms < 4
C18407 ps > 0
C18406 ps > 0
C18405 ps > 0
C18404 ps > 0
C18403 ps > 0
C18402 ps > 0
C18400 ps > 0
C18398 ps > 0
C18397 ps > 0
C18395 ps > 0
C18394 ps > 0
C18390 MW > 999.0
C18384 validation_error Sanitization error: Explicit valence for atom # 4 O, 3, is greater than permitted
Line #473 Failed to load mol
C18381 no_acceptable_nonsalt_component
C18380 validation_error Sanitization error: Explicit valence for atom # 7 O, 3, is greater than permitted
C18379 unacceptable_atom Ca
C18370 unacceptable_atom *
C18368 validation_error Sanitization error: Explicit valence for atom # 1 Cl, 4, is greater than permitted
C18357 unacceptable_atom *
Line #13 Failed to load mol
C02789 unacceptable_atom *
C02773 unacceptable_atom *
C02764 unacceptable_atom *
C02762 unacceptable_atom *
C02761 unacceptable_atom *
Line #37 Failed to load mol
C02757 unacceptable_atom *
Line #39 Failed to load mol
C02749 unacceptable_atom *
Line #45 Failed to load mol
C02743 unacceptable_atom *
C02737 unacceptable_atom *
C02736 unacceptable_atom *
C02732 unacceptable_atom *
Line #57 Failed to load mol
C02716 unacceptable_atom *
C02715 unacceptable_atom *
C02707 unacceptable_atom *
C02706 unacceptable_atom *
C02705 unacceptable_atom *
C02702 unacceptable_atom *
C02699 unacceptable_atom *
C02695 unacceptable_atom *
C02687 unacceptable_atom *
C02686 unacceptable_atom *
Line #91 Failed to load mol
Line #92 Failed to load mol
Line #93 Failed to load mol
Line #94 Failed to load mol
C02677 unacceptable_atom Te
Line #102 Failed to load mol
C02671 unacceptable_atom *
C02661 non-hydrogen_atoms < 4
C02658 unacceptable_atom *
C02654 unacceptable_atom *
C02623 unacceptable_atom *
C02616 unacceptable_atom *
C02607 unacceptable_atom *
C02605 unacceptable_atom *
C02603 unacceptable_atom *
C02601 unacceptable_atom *
C02589 unacceptable_atom *
C02583 unacceptable_atom *
C02582 unacceptable_atom *
C02579 unacceptable_atom *
C02562 unacceptable_atom *
C02554 unacceptable_atom *
C02553 unacceptable_atom *
C02546 unacceptable_atom *
Line #181 Failed to load mol
C02535 unacceptable_atom Se
C02534 unacceptable_atom *
C02530 unacceptable_atom *
C02525 unacceptable_atom *
C02521 unacceptable_atom *
C02520 unacceptable_atom *
C02508 unacceptable_atom *
Line #209 Failed to load mol
C02492 unacceptable_atom *
C02490 unacceptable_atom *
C02489 unacceptable_atom *
C02478 unacceptable_atom *
C02475 unacceptable_atom *
C02474 unacceptable_atom *
C02473 unacceptable_atom *
C02472 unacceptable_atom *
C02461 unacceptable_atom *
Line #249 Failed to load mol
C02447 unacceptable_atom *
C02446 unacceptable_atom *
C02444 unacceptable_atom *
C02440 unacceptable_atom *
C02436 unacceptable_atom *
C02434 unacceptable_atom *
C02430 unacceptable_atom *
C02429 unacceptable_atom *
C02424 unacceptable_atom *
C02415 unacceptable_atom *
Line #274 Failed to load mol
C02412 unacceptable_atom *
C02410 unacceptable_atom *
Line #279 Failed to load mol
C02403 unacceptable_atom *
C02401 unacceptable_atom *
C02399 unacceptable_atom *
C02391 unacceptable_atom *
C02377 unacceptable_atom *
C02374 unacceptable_atom *
C02352 unacceptable_atom *
C02347 MW > 999.0
Line #322 Failed to load mol
C02339 unacceptable_atom *
C02337 unacceptable_atom *
C02332 unacceptable_atom *
C02327 unacceptable_atom *
C02324 unacceptable_atom *
C02321 unacceptable_atom *
C02320 unacceptable_atom *
C02319 unacceptable_atom *
C02318 unacceptable_atom *
C02315 unacceptable_atom *
C02311 MW < 50.0
Line #346 Failed to load mol
Line #347 Failed to load mol
C02303 unacceptable_atom *
C02301 unacceptable_atom *
Line #362 Failed to load mol
C02282 unacceptable_atom *
C02271 non-hydrogen_atoms < 4
C02270 unacceptable_atom *
C02269 unacceptable_atom *
Line #382 Failed to load mol
C02255 unacceptable_atom *
C02252 unacceptable_atom *
C02249 MW > 999.0
C02248 unacceptable_atom *
Line #390 Failed to load mol
C02245 unacceptable_atom *
Line #392 Failed to load mol
C02211 unacceptable_atom *
Line #419 Failed to load mol
C02202 validation_error Sanitization error: Explicit valence for atom # 0 N, 4, is greater than permitted
C02196 unacceptable_atom *
C02189 unacceptable_atom *
C02188 unacceptable_atom *
C02186 unacceptable_atom *
C02179 unacceptable_atom *
C02173 unacceptable_atom *
C02171 unacceptable_atom *
C02163 unacceptable_atom *
C02146 unacceptable_atom *
C02144 unacceptable_atom *
C02143 unacceptable_atom *
C02142 unacceptable_atom *
C02139 unacceptable_atom Mg
C02135 MW > 999.0
C02133 unacceptable_atom *
C02128 unacceptable_atom *
C02125 unacceptable_atom *
C02119 unacceptable_atom *
C02118 unacceptable_atom *
C02112 unacceptable_atom *
C02111 unacceptable_atom *
C02107 no_acceptable_nonsalt_component
C02103 unacceptable_atom *
C16541 unacceptable_atom Mg
C16540 unacceptable_atom Mg
C16532 MW > 999.0
C16531 MW > 999.0
C16530 MW > 999.0
C16529 MW > 999.0
C16528 MW > 999.0
C16520 unacceptable_atom *
Line #30 Failed to load mol
Line #31 Failed to load mol
Line #35 Failed to load mol
Line #44 Failed to load mol
C16487 MW < 50.0
C16486 unacceptable_atom *
C16467 unacceptable_atom *
C16460 unacceptable_atom Be
Line #86 Failed to load mol
Line #87 Failed to load mol
C16457 unacceptable_atom Ra
C16456 unacceptable_atom Ra
C16455 unacceptable_atom Ra
C16454 unacceptable_atom Rn
Line #94 Failed to load mol
Line #103 Failed to load mol
C16389 MW > 999.0
C16388 MW > 999.0
C16387 MW > 999.0
C16376 MW > 999.0
C16375 MW > 999.0
C16374 MW > 999.0
C16338 MW > 999.0
C16337 MW > 999.0
C16334 MW > 999.0
C16333 MW > 999.0
C16332 MW > 999.0
C16331 MW > 999.0
C16330 MW > 999.0
C16329 MW > 999.0
C16328 MW > 999.0
C16327 MW > 999.0
C16302 MW > 999.0
C16255 unacceptable_atom *
C16254 unacceptable_atom *
C16244 unacceptable_atom Co
C16243 unacceptable_atom Co
C16242 unacceptable_atom Co
C16240 unacceptable_atom *
C16239 unacceptable_atom *
C16237 unacceptable_atom *
C16236 unacceptable_atom *
C16221 unacceptable_atom *
C16220 unacceptable_atom *
C16219 unacceptable_atom *
C16218 MW > 999.0
C16217 MW > 999.0
C16216 MW > 999.0
C16180 MW > 999.0
C16179 MW > 999.0
Line #354 Failed to load mol
Line #355 Failed to load mol
Line #356 Failed to load mol
Line #357 Failed to load mol
C16173 MW > 999.0
C16172 MW > 999.0
C16171 MW > 999.0
C16170 MW > 999.0
C16169 MW > 999.0
C16168 MW > 999.0
C16167 MW > 999.0
C16166 MW > 999.0
C16165 MW > 999.0
C16164 MW > 999.0
C16163 MW > 999.0
C16162 MW > 999.0
C16161 unacceptable_atom *
C16160 unacceptable_atom *
Line #373 Failed to load mol
C16156 MW > 999.0
C16140 unacceptable_atom *
Line #392 Failed to load mol
Line #394 Failed to load mol
Line #395 Failed to load mol
Line #396 Failed to load mol
Line #397 Failed to load mol
Line #398 Failed to load mol
Line #399 Failed to load mol
Line #400 Failed to load mol
Line #401 Failed to load mol
Line #402 Failed to load mol
Line #403 Failed to load mol
Line #404 Failed to load mol
Line #405 Failed to load mol
Line #406 Failed to load mol
Line #407 Failed to load mol
Line #408 Failed to load mol
Line #409 Failed to load mol
Line #410 Failed to load mol
Line #411 Failed to load mol
Line #412 Failed to load mol
Line #413 Failed to load mol
Line #414 Failed to load mol
C16116 unacceptable_atom *
Line #416 Failed to load mol
Line #417 Failed to load mol
Line #418 Failed to load mol
Line #419 Failed to load mol
Line #420 Failed to load mol
Line #421 Failed to load mol
Line #422 Failed to load mol
Line #424 Failed to load mol
Line #425 Failed to load mol
Line #426 Failed to load mol
Line #427 Failed to load mol
Line #428 Failed to load mol
Line #429 Failed to load mol
Line #430 Failed to load mol
Line #431 Failed to load mol
Line #432 Failed to load mol
C16098 MW > 999.0
C16097 MW > 999.0
Line #435 Failed to load mol
Line #436 Failed to load mol
Line #437 Failed to load mol
Line #438 Failed to load mol
Line #439 Failed to load mol
Line #440 Failed to load mol
Line #441 Failed to load mol
Line #442 Failed to load mol
Line #443 Failed to load mol
Line #444 Failed to load mol
Line #445 Failed to load mol
Line #446 Failed to load mol
Line #447 Failed to load mol
Line #448 Failed to load mol
Line #449 Failed to load mol
Line #450 Failed to load mol
Line #451 Failed to load mol
Line #452 Failed to load mol
Line #453 Failed to load mol
Line #454 Failed to load mol
C16072 unacceptable_atom *
Line #461 Failed to load mol
Line #462 Failed to load mol
Line #463 Failed to load mol
Line #464 Failed to load mol
Line #465 Failed to load mol
Line #466 Failed to load mol
Line #467 Failed to load mol
Line #468 Failed to load mol
Line #469 Failed to load mol
Line #470 Failed to load mol
Line #471 Failed to load mol
Line #472 Failed to load mol
Line #473 Failed to load mol
Line #474 Failed to load mol
Line #475 Failed to load mol
Line #476 Failed to load mol
Line #477 Failed to load mol
Line #478 Failed to load mol
Line #479 Failed to load mol
Line #480 Failed to load mol
Line #481 Failed to load mol
Line #482 Failed to load mol
Line #483 Failed to load mol
Line #484 Failed to load mol
Line #485 Failed to load mol
Line #486 Failed to load mol
Line #487 Failed to load mol
Line #488 Failed to load mol
Line #489 Failed to load mol
Line #490 Failed to load mol
Line #492 Failed to load mol
Line #493 Failed to load mol
Line #494 Failed to load mol
Line #495 Failed to load mol
Line #496 Failed to load mol
Line #497 Failed to load mol
Line #498 Failed to load mol
Line #499 Failed to load mol
C06975 ps > 0
C06944 MW > 999.0
C06926 MW > 999.0
C06911 unacceptable_atom Pt
C06865 MW > 999.0
C06854 MW > 999.0
C06819 ps > 0
C06793 non-hydrogen_atoms < 4
C06770 MW > 999.0
C06767 unacceptable_atom Fe
C06765 MW > 999.0
Line #219 Failed to load mol
C06743 unacceptable_atom *
Line #222 Failed to load mol
C06710 unacceptable_atom Ag
Line #251 Failed to load mol
Line #252 Failed to load mol
Line #253 Failed to load mol
Line #254 Failed to load mol
Line #255 Failed to load mol
C06697 unacceptable_atom As
C06696 unacceptable_atom Pb
C06690 MW > 999.0
C06689 MW > 999.0
C06684 MW > 999.0
C06677 no_acceptable_nonsalt_component
C06663 unacceptable_atom *
C06607 ps > 0
C06605 ps > 0
C06604 ps > 0
C06592 unacceptable_atom *
C06567 unacceptable_atom *
C06550 unacceptable_atom As
C06548 MW < 50.0
C06547 MW < 50.0
C06510 unacceptable_atom Co
C06509 unacceptable_atom Co
C06508 unacceptable_atom Co
C06507 unacceptable_atom Co
C06506 unacceptable_atom Co
C06505 unacceptable_atom Co
C06504 unacceptable_atom Co
C06483 unacceptable_atom *
C06482 unacceptable_atom *,Se
C06481 unacceptable_atom *
Line #455 Failed to load mol
C06461 unacceptable_atom *
C06453 unacceptable_atom Co
C06443 unacceptable_atom *
C06437 unacceptable_atom *
C06432 MW > 999.0
Line #9 Failed to load mol
Line #60 Failed to load mol
C14819 unacceptable_atom Fe
C14818 unacceptable_atom Fe
C14711 unacceptable_atom Ni
C14686 no_acceptable_nonsalt_component
C14580 ps > 0
C14520 ps > 0
C14510 ps > 0
C03517 unacceptable_atom *
C03516 unacceptable_atom Mg
C03512 unacceptable_atom *
C03511 unacceptable_atom *
C03498 unacceptable_atom *
C03497 unacceptable_atom *
Line #22 Failed to load mol
C03475 unacceptable_atom *
C03463 unacceptable_atom *
C03457 unacceptable_atom *
C03456 unacceptable_atom *
C03454 unacceptable_atom *
C03446 unacceptable_atom *
C03444 unacceptable_atom Hg
C03438 unacceptable_atom *
C03437 unacceptable_atom *
C03429 unacceptable_atom *
C03422 unacceptable_atom *
C03419 unacceptable_atom *
C03418 unacceptable_atom *
Line #71 Failed to load mol
C03405 unacceptable_atom *
C03402 unacceptable_atom *
C03400 unacceptable_atom *
C03395 unacceptable_atom *
C03391 unacceptable_atom *
Line #90 Failed to load mol
C03372 unacceptable_atom *
C03371 unacceptable_atom *
C03363 unacceptable_atom *
C03361 unacceptable_atom *
Line #120 Failed to load mol
Line #121 Failed to load mol
C03323 unacceptable_atom *
C03318 unacceptable_atom *
C03317 unacceptable_atom *
C03315 unacceptable_atom *
C03306 unacceptable_atom *
C03303 unacceptable_atom *
Line #139 Failed to load mol
C03297 unacceptable_atom *
C03294 unacceptable_atom *
C03272 unacceptable_atom *
C03268 unacceptable_atom *
Line #164 Failed to load mol
Line #165 Failed to load mol
C03254 unacceptable_atom *
Line #171 Failed to load mol
C03236 unacceptable_atom *
C03201 unacceptable_atom *
C03193 unacceptable_atom *
Line #219 Failed to load mol
Line #220 Failed to load mol
C03184 unacceptable_atom Zn
Line #223 Failed to load mol
C03168 unacceptable_atom *
Line #237 Failed to load mol
Line #238 Failed to load mol
Line #240 Failed to load mol
C03152 unacceptable_atom *
C03151 unacceptable_atom *
C03148 unacceptable_atom *
C03135 unacceptable_atom *
C03130 unacceptable_atom *
C03129 unacceptable_atom *
C03127 unacceptable_atom *
C03125 unacceptable_atom *
C03122 unacceptable_atom *
Line #267 Failed to load mol
C03120 unacceptable_atom *
C03110 unacceptable_atom *
Line #278 Failed to load mol
C03105 unacceptable_atom *
Line #281 Failed to load mol
Line #282 Failed to load mol
C03095 unacceptable_atom *
C03086 unacceptable_atom *
C03085 unacceptable_atom *
C03084 unacceptable_atom *
C03083 unacceptable_atom *
C03035 MW > 999.0
C03033 unacceptable_atom *
Line #340 Failed to load mol
Line #343 Failed to load mol
Line #344 Failed to load mol
C03023 unacceptable_atom *
C03022 unacceptable_atom *
C03021 unacceptable_atom *
C03018 unacceptable_atom *
C03016 unacceptable_atom *
C03011 unacceptable_atom *
C03000 unacceptable_atom *
C02998 unacceptable_atom *
C02992 unacceptable_atom *
C02988 unacceptable_atom *
C02987 unacceptable_atom *
C02986 unacceptable_atom *
C02984 unacceptable_atom *
C02972 unacceptable_atom *
C02967 unacceptable_atom *
C02960 unacceptable_atom *
C02929 unacceptable_atom *
C02905 unacceptable_atom *
C02900 unacceptable_atom *
C02897 unacceptable_atom *
C02885 unacceptable_atom *
C02882 unacceptable_atom *
C02880 unacceptable_atom Mg
C02872 unacceptable_atom *
C02871 unacceptable_atom *
Line #457 Failed to load mol
C02867 unacceptable_atom *
Line #460 Failed to load mol
C02863 unacceptable_atom *
C02860 unacceptable_atom *
C02858 unacceptable_atom *
C02857 unacceptable_atom *
C02853 unacceptable_atom *
C02851 unacceptable_atom *
C02850 unacceptable_atom *
C02847 unacceptable_atom *
C02839 unacceptable_atom *
C02834 unacceptable_atom *
C02823 unacceptable_atom Co
C02816 unacceptable_atom *
C02805 unacceptable_atom *
C20224 unacceptable_atom *
C20160 MW > 999.0
C19600 validation_error Sanitization error: Explicit valence for atom # 2 O, 3, is greater than permitted
C17896 MW > 999.0
C17895 MW > 999.0
C17893 MW > 999.0
C17833 MW > 999.0
C17832 MW > 999.0
C17831 MW > 999.0
C17830 MW > 999.0
C17829 MW > 999.0
C17828 MW > 999.0
C17807 MW > 999.0
C17806 MW > 999.0
C17805 MW > 999.0
C17804 MW > 999.0
C17768 MW > 999.0
C17761 MW > 999.0
C17760 MW > 999.0
C20120 unacceptable_atom *
C20119 unacceptable_atom *
Line #217 Failed to load mol
Line #218 Failed to load mol
Line #219 Failed to load mol
Line #220 Failed to load mol
Line #221 Failed to load mol
Line #222 Failed to load mol
Line #223 Failed to load mol
Line #224 Failed to load mol
Line #225 Failed to load mol
Line #226 Failed to load mol
Line #227 Failed to load mol
Line #228 Failed to load mol
Line #229 Failed to load mol
Line #230 Failed to load mol
Line #231 Failed to load mol
Line #232 Failed to load mol
Line #233 Failed to load mol
Line #234 Failed to load mol
Line #235 Failed to load mol
Line #236 Failed to load mol
Line #237 Failed to load mol
Line #243 Failed to load mol
Line #244 Failed to load mol
Line #245 Failed to load mol
Line #246 Failed to load mol
Line #247 Failed to load mol
Line #248 Failed to load mol
Line #249 Failed to load mol
Line #250 Failed to load mol
C20084 MW > 999.0
Line #254 Failed to load mol
Line #255 Failed to load mol
Line #256 Failed to load mol
Line #257 Failed to load mol
Line #258 Failed to load mol
Line #260 Failed to load mol
Line #261 Failed to load mol
Line #262 Failed to load mol
Line #263 Failed to load mol
Line #264 Failed to load mol
Line #265 Failed to load mol
Line #266 Failed to load mol
Line #271 Failed to load mol
Line #272 Failed to load mol
Line #273 Failed to load mol
Line #274 Failed to load mol
Line #275 Failed to load mol
Line #276 Failed to load mol
Line #278 Failed to load mol
C20050 MW > 999.0
Line #280 Failed to load mol
C20048 MW > 999.0
Line #282 Failed to load mol
Line #286 Failed to load mol
Line #287 Failed to load mol
Line #288 Failed to load mol
Line #289 Failed to load mol
Line #290 Failed to load mol
Line #291 Failed to load mol
Line #292 Failed to load mol
C20029 MW > 999.0
C20028 MW > 999.0
C20024 MW > 999.0
C20014 MW > 999.0
C20013 MW > 999.0
C20011 MW > 999.0
C20005 MW > 999.0
C20003 MW > 999.0
C20002 MW > 999.0
C20001 MW > 999.0
C19997 MW > 999.0
C19995 MW > 999.0
Line #388 Failed to load mol
Line #389 Failed to load mol
C19935 MW < 50.0
C19930 ps > 0
Line #402 Failed to load mol
Line #403 Failed to load mol
Line #404 Failed to load mol
Line #405 Failed to load mol
Line #406 Failed to load mol
Line #407 Failed to load mol
C19912 unacceptable_atom *
Line #423 Failed to load mol
C19890 MW > 999.0
C19889 unacceptable_atom *
C19888 unacceptable_atom *
C19887 unacceptable_atom *
C19886 unacceptable_atom *
C19885 unacceptable_atom *
C19884 MW > 999.0
C19883 MW > 999.0
C19877 MW > 999.0
C19876 MW > 999.0
C19875 MW > 999.0
C19870 MW > 999.0
C19866 unacceptable_atom *
Line #466 Failed to load mol
Line #467 Failed to load mol
C19857 MW > 999.0
C19856 MW > 999.0
C19855 MW > 999.0
C19854 MW > 999.0
Line #478 Failed to load mol
C19846 unacceptable_atom *
C19845 unacceptable_atom *
C19842 unacceptable_atom *
C10240 MW > 999.0
C10235 MW > 999.0
C10229 MW > 999.0
C10222 MW > 999.0
C10218 MW > 999.0
C10210 MW > 999.0
C17061 unacceptable_atom Rb
Line #57 Failed to load mol
C17027 unacceptable_atom *
Line #72 Failed to load mol
Line #74 Failed to load mol
C17022 unacceptable_atom *
C16888 MW > 999.0
C16887 MW > 999.0
C16886 MW > 999.0
C16885 MW > 999.0
C16852 MW > 999.0
C16847 MW > 999.0
C16844 MW < 50.0
C16832 unacceptable_atom *
Line #224 Failed to load mol
C16791 MW > 999.0
C16762 MW > 999.0
C16740 unacceptable_atom *
C16739 unacceptable_atom *
C16738 unacceptable_atom *
C16736 unacceptable_atom *
C16734 unacceptable_atom *
C16733 unacceptable_atom *
C16732 unacceptable_atom *
C16731 unacceptable_atom *
C16730 unacceptable_atom *
C16729 unacceptable_atom *
C16722 unacceptable_atom *
C16720 unacceptable_atom *
C16711 unacceptable_atom *
C16691 unacceptable_atom *
C16690 unacceptable_atom *
C16687 MW > 999.0
Line #368 Failed to load mol
Line #369 Failed to load mol
C16676 unacceptable_atom *
C16669 unacceptable_atom *
Line #387 Failed to load mol
Line #388 Failed to load mol
C16645 MW > 999.0
C16638 unacceptable_atom *
Line #413 Failed to load mol
C16581 unacceptable_atom *
C01438 MW < 50.0
C01417 MW < 50.0
C01413 unacceptable_atom Cd
C01402 unacceptable_atom *
C01399 unacceptable_atom *
C01398 unacceptable_atom *
C01392 unacceptable_atom *
C01384 no_acceptable_nonsalt_component
C01382 non-hydrogen_atoms < 4
C01372 unacceptable_atom *
C01371 unacceptable_atom *
C01370 unacceptable_atom *
C01365 unacceptable_atom *
Line #48 Failed to load mol
C01358 no_acceptable_nonsalt_component
Line #51 Failed to load mol
Line #52 Failed to load mol
C01343 unacceptable_atom *,Hg
C01342 no_acceptable_nonsalt_component
C01336 unacceptable_atom *
C01335 unacceptable_atom *
C01334 unacceptable_atom *
C01330 no_acceptable_nonsalt_component
C01329 unacceptable_atom *
C01328 no_acceptable_nonsalt_component
C01327 MW < 50.0
C01326 MW < 50.0
C01324 no_acceptable_nonsalt_component
C01322 unacceptable_atom *
C01321 unacceptable_atom *
C01319 unacceptable_atom Hg
C01311 unacceptable_atom *
C01308 unacceptable_atom *
C01306 unacceptable_atom *
C01299 unacceptable_atom *
C01293 unacceptable_atom *
C01290 unacceptable_atom *
C01289 MW > 999.0
C01288 unacceptable_atom *
C01282 unacceptable_atom *
C01281 unacceptable_atom *
C01277 unacceptable_atom *
C01271 unacceptable_atom *
C01264 unacceptable_atom *
C01256 unacceptable_atom *
C01253 unacceptable_atom *
C01247 unacceptable_atom *
C01242 unacceptable_atom *
C01241 unacceptable_atom *
C01240 unacceptable_atom *
C01229 unacceptable_atom *
C01211 unacceptable_atom *
C01209 unacceptable_atom *
C01203 unacceptable_atom *
C01200 unacceptable_atom *
C01199 unacceptable_atom *
C01196 unacceptable_atom *
C01194 unacceptable_atom *
C01190 unacceptable_atom *
C01167 unacceptable_atom *
Line #204 Failed to load mol
C01153 unacceptable_atom *
C01141 unacceptable_atom *
C01140 unacceptable_atom *
C01139 unacceptable_atom *
Line #230 Failed to load mol
C01122 unacceptable_atom *
C01117 unacceptable_atom *
C01086 unacceptable_atom *
C01078 unacceptable_atom *
C01076 unacceptable_atom *
Line #281 Failed to load mol
Line #283 Failed to load mol
Line #284 Failed to load mol
C01064 unacceptable_atom *
Line #295 Failed to load mol
C01032 unacceptable_atom *
C01025 unacceptable_atom *
Line #323 Failed to load mol
C01021 unacceptable_atom *
C01016 unacceptable_atom *
C01003 unacceptable_atom *
Line #344 Failed to load mol
Line #345 Failed to load mol
Line #346 Failed to load mol
Line #347 Failed to load mol
Line #348 Failed to load mol
Line #349 Failed to load mol
C00992 unacceptable_atom Co
Line #353 Failed to load mol
C00985 unacceptable_atom *,Hg
C00980 unacceptable_atom *
C00972 unacceptable_atom *
C00965 unacceptable_atom *
C00963 unacceptable_atom *
C00960 unacceptable_atom *
C00958 unacceptable_atom *
Line #386 Failed to load mol
Line #389 Failed to load mol
C00938 unacceptable_atom *
Line #401 Failed to load mol
C00930 unacceptable_atom *
C00929 unacceptable_atom *
C00925 unacceptable_atom *
Line #409 Failed to load mol
Line #410 Failed to load mol
C00920 MW > 999.0
Line #416 Failed to load mol
Line #420 Failed to load mol
C00911 unacceptable_atom *
C00898 no_acceptable_nonsalt_component
C00893 unacceptable_atom *
C00889 unacceptable_atom *
C00887 MW < 50.0
C00886 unacceptable_atom *
C00875 unacceptable_atom *
C00873 MW > 999.0
C00871 unacceptable_atom *
C00868 unacceptable_atom *
C00865 unacceptable_atom *
C00863 unacceptable_atom *
C00856 unacceptable_atom *
C00853 unacceptable_atom Co
Line #484 Failed to load mol
C00839 unacceptable_atom *
Line #497 Failed to load mol
C00821 unacceptable_atom *
C19825 unacceptable_atom *
C19824 unacceptable_atom *
C19812 unacceptable_atom *
C19811 unacceptable_atom *
C19804 unacceptable_atom *
C19803 unacceptable_atom *
C19802 unacceptable_atom *
C19790 unacceptable_atom *
C19776 unacceptable_atom *
C19772 MW > 999.0
C19771 MW > 999.0
C19724 unacceptable_atom Co
C19723 unacceptable_atom *
C19722 unacceptable_atom *
C19720 MW > 999.0
C19697 non-hydrogen_atoms < 4
C19696 MW > 999.0
C19692 non-hydrogen_atoms < 4
C19673 unacceptable_atom *
Line #154 Failed to load mol
Line #155 Failed to load mol
Line #180 Failed to load mol
C16902 MW > 999.0
C16881 MW > 999.0
C16878 MW > 999.0
C16876 MW > 999.0
C16872 MW > 999.0
C16862 MW > 999.0
C16854 MW > 999.0
C16851 MW > 999.0
Line #235 Failed to load mol
Line #236 Failed to load mol
C19611 unacceptable_atom Mn
C19610 unacceptable_atom Mn
C19609 unacceptable_atom Ni
Line #255 Failed to load mol
Line #263 Failed to load mol
Line #265 Failed to load mol
Line #284 Failed to load mol
Line #288 Failed to load mol
Line #289 Failed to load mol
Line #300 Failed to load mol
Line #305 Failed to load mol
Line #306 Failed to load mol
Line #309 Failed to load mol
Line #310 Failed to load mol
Line #311 Failed to load mol
Line #328 Failed to load mol
C19523 validation_error Sanitization error: Explicit valence for atom # 1 Cl, 3, is greater than permitted
Line #338 Failed to load mol
Line #341 Failed to load mol
C19509 unacceptable_atom *
C19508 non-hydrogen_atoms < 4
C19507 unacceptable_atom *
C19505 unacceptable_atom *
C19503 MW < 50.0
C19492 unacceptable_atom *
C19460 unacceptable_atom Se
C19446 non-hydrogen_atoms < 4
Line #423 Failed to load mol
Line #424 Failed to load mol
Line #436 Failed to load mol
C19421 unacceptable_atom Se
C19419 non-hydrogen_atoms < 4
C19387 MW < 50.0
C19368 unacceptable_atom Cr
C19362 non-hydrogen_atoms < 4
C08382 sss > 0
C08372 sss > 0
C08253 unacceptable_atom *
C08230 unacceptable_atom Co
C08219 no_acceptable_nonsalt_component
Line #151 Failed to load mol
C08193 unacceptable_atom Au
C08192 MW > 999.0
C08142 MW < 50.0
C08136 no_acceptable_nonsalt_component
C08130 no_acceptable_nonsalt_component
C08043 unacceptable_atom *
C08040 non-hydrogen_atoms < 4
C08037 unacceptable_atom *
C08034 MW > 999.0
C08032 MW > 999.0
C08001 unacceptable_atom As
C07995 unacceptable_atom Mg
C07974 MW > 999.0
Line #309 Failed to load mol
Line #334 Failed to load mol
Line #337 Failed to load mol
C07876 no_acceptable_nonsalt_component
C07870 unacceptable_atom Bi
C07755 no_acceptable_nonsalt_component
C07695 unacceptable_atom Fe
C07671 MW > 999.0
C07641 ps > 0
C07638 unacceptable_atom Sb
C12538 no_acceptable_nonsalt_component
C12505 no_acceptable_nonsalt_component
C12484 unacceptable_atom *
C12483 unacceptable_atom *
C12470 unacceptable_atom *
C12467 unacceptable_atom *
C12465 unacceptable_atom *
C12464 unacceptable_atom *
C12463 unacceptable_atom *
C12462 unacceptable_atom *
C12461 unacceptable_atom *
C12460 unacceptable_atom *
C12442 unacceptable_atom *
C12441 unacceptable_atom *
C12439 unacceptable_atom *
C12389 MW > 999.0
C12388 MW > 999.0
C12365 unacceptable_atom *
C12364 unacceptable_atom *
C12363 unacceptable_atom *
C12362 unacceptable_atom *
C12361 unacceptable_atom *
C12360 unacceptable_atom *
C12359 unacceptable_atom *
C12358 unacceptable_atom *
C12357 unacceptable_atom *
C12356 unacceptable_atom *
C12355 unacceptable_atom *
C12354 unacceptable_atom *
C12353 unacceptable_atom *
C12352 unacceptable_atom *
C12351 unacceptable_atom *
C12350 unacceptable_atom *
C12349 unacceptable_atom *
C12348 unacceptable_atom *
C12309 unacceptable_atom *
C12282 unacceptable_atom *
C12277 no_acceptable_nonsalt_component
C12268 unacceptable_atom *
C12267 unacceptable_atom *
C12266 unacceptable_atom *
C12265 unacceptable_atom *
C12218 unacceptable_atom Fe
C12217 unacceptable_atom Fe
C12156 MW > 999.0
C12146 unacceptable_atom *
C12145 unacceptable_atom *
C12133 MW > 999.0
C12132 MW > 999.0
C12131 MW > 999.0
C12130 MW > 999.0
C12129 MW > 999.0
C12126 unacceptable_atom *
C12068 MW > 999.0
C12055 MW > 999.0
C12054 MW > 999.0
C12053 MW > 999.0
C12052 MW > 999.0
C12051 MW > 999.0
C12050 MW > 999.0
C12046 MW > 999.0
C12043 MW > 999.0
C12042 MW > 999.0
C12041 MW > 999.0
C12036 MW > 999.0
C12035 MW > 999.0
C12034 MW > 999.0
C12030 unacceptable_atom *
C12024 MW > 999.0
C12016 MW > 999.0
C12014 MW > 999.0
C12013 MW > 999.0
C12008 MW > 999.0
C12006 MW > 999.0
C19359 non-hydrogen_atoms < 4
C19354 non-hydrogen_atoms < 4
C19347 ps > 0
C19331 unacceptable_atom As
C19330 unacceptable_atom *
Line #32 Failed to load mol
Line #47 Failed to load mol
Line #52 Failed to load mol
C19295 validation_error Sanitization error: Explicit valence for atom # 1 Br, 5, is greater than permitted
Line #68 Failed to load mol
Line #72 Failed to load mol
C19215 MW < 50.0
C19203 unacceptable_atom *
Line #158 Failed to load mol
Line #160 Failed to load mol
Line #168 Failed to load mol
C19185 MW < 50.0
C19184 non-hydrogen_atoms < 4
Line #177 Failed to load mol
Line #181 Failed to load mol
Line #188 Failed to load mol
C19171 unacceptable_atom Co
Line #197 Failed to load mol
C19162 MW < 50.0
C19161 unacceptable_atom Cr
C19159 unacceptable_atom Pu
C19157 unacceptable_atom Th
C19148 ps > 0
C19140 ps > 0
C19113 MW < 50.0
C19085 unacceptable_atom *
C19080 unacceptable_atom *
C19078 unacceptable_atom *
C19067 MW < 50.0
C19055 validation_error Sanitization error: Explicit valence for atom # 1 As, 7, is greater than permitted
C19040 validation_error Sanitization error: Explicit valence for atom # 1 Si, 8, is greater than permitted
C19036 ps > 0
C19033 non-hydrogen_atoms < 4
C19028 ps > 0
C19020 ps > 0
C19018 ps > 0
C19016 ps > 0
C19014 ps > 0
C19012 ps > 0
C19010 ps > 0
C19009 ps > 0
C19006 ps > 0
C19005 ps > 0
C19004 ps > 0
C19003 ps > 0
C19002 ps > 0
C19001 ps > 0
C19000 ps > 0
Line #362 Failed to load mol
Line #363 Failed to load mol
Line #364 Failed to load mol
Line #365 Failed to load mol
Line #366 Failed to load mol
Line #369 Failed to load mol
C18989 ps > 0
C18988 ps > 0
C18987 ps > 0
C18986 ps > 0
C18985 ps > 0
C18984 ps > 0
C18983 ps > 0
C18982 ps > 0
C18981 ps > 0
C18979 ps > 0
C18978 ps > 0
C18977 ps > 0
C18976 ps > 0
C18975 ps > 0
C18974 ps > 0
C18973 ps > 0
C18970 ps > 0
C18969 ps > 0
C18968 ps > 0
C18966 ps > 0
C18965 ps > 0
C18964 ps > 0
C18963 ps > 0
C18925 ps > 0
C18905 unacceptable_atom Se
C18904 unacceptable_atom Se
C18902 unacceptable_atom Se
C18893 unacceptable_atom Se
C18872 unacceptable_atom Se
C18871 unacceptable_atom Se
C18870 unacceptable_atom Se
C11906 unacceptable_atom Na,As
C11851 unacceptable_atom Zn
C11850 unacceptable_atom Mg
C11832 unacceptable_atom Mg
C11831 unacceptable_atom Mg
C11830 unacceptable_atom Mg
C11829 unacceptable_atom Mg
C11827 MW > 999.0
C11826 MW > 999.0
Line #141 Failed to load mol
C11823 unacceptable_atom *
C11757 unacceptable_atom *
C11756 unacceptable_atom *
C11746 unacceptable_atom *
C11744 unacceptable_atom As
C11712 MW > 999.0
C11687 MW < 50.0
C11627 unacceptable_atom V
C11613 unacceptable_atom *
C11612 unacceptable_atom *
C11598 MW < 50.0
C11572 unacceptable_atom *
C11557 unacceptable_atom *
C11556 unacceptable_atom *
C11554 unacceptable_atom *
C11553 unacceptable_atom *
C11552 unacceptable_atom *
C11551 unacceptable_atom *
C11550 unacceptable_atom *
C11549 unacceptable_atom *
C11548 unacceptable_atom *
C11547 unacceptable_atom *
C11545 unacceptable_atom Co
C11543 unacceptable_atom Co
C11542 unacceptable_atom Co
C11541 unacceptable_atom Co
C11540 unacceptable_atom Co
C11539 unacceptable_atom Co
C11538 unacceptable_atom Co
C11531 unacceptable_atom *
C11529 unacceptable_atom *
Line #428 Failed to load mol
Line #429 Failed to load mol
C11505 MW < 50.0
C11482 unacceptable_atom *
C11478 unacceptable_atom *
Line #473 Failed to load mol
C11475 unacceptable_atom *
C11473 sss > 0
C11469 MW > 999.0
C11449 unacceptable_atom *
C11440 unacceptable_atom *
Line #2 Failed to load mol
Line #3 Failed to load mol
Line #4 Failed to load mol
Line #5 Failed to load mol
Line #6 Failed to load mol
Line #7 Failed to load mol
Line #8 Failed to load mol
Line #9 Failed to load mol
Line #10 Failed to load mol
Line #11 Failed to load mol
Line #12 Failed to load mol
Line #15 Failed to load mol
Line #16 Failed to load mol
C16011 unacceptable_atom *
Line #18 Failed to load mol
Line #19 Failed to load mol
C16008 MW > 999.0
Line #21 Failed to load mol
Line #22 Failed to load mol
Line #23 Failed to load mol
Line #24 Failed to load mol
Line #25 Failed to load mol
Line #26 Failed to load mol
Line #28 Failed to load mol
Line #33 Failed to load mol
C15984 MW > 999.0
C15979 unacceptable_atom *
C15977 unacceptable_atom *
C15975 unacceptable_atom *
C15973 unacceptable_atom *
C15972 unacceptable_atom *
C15964 MW > 999.0
C15963 MW > 999.0
Line #64 Failed to load mol
Line #65 Failed to load mol
Line #66 Failed to load mol
C15959 MW > 999.0
Line #74 Failed to load mol
Line #75 Failed to load mol
Line #76 Failed to load mol
Line #77 Failed to load mol
Line #78 Failed to load mol
Line #79 Failed to load mol
Line #84 Failed to load mol
Line #86 Failed to load mol
Line #90 Failed to load mol
Line #92 Failed to load mol
Line #99 Failed to load mol
Line #100 Failed to load mol
Line #101 Failed to load mol
Line #103 Failed to load mol
C15917 unacceptable_atom *
Line #105 Failed to load mol
Line #108 Failed to load mol
Line #109 Failed to load mol
Line #114 Failed to load mol
Line #116 Failed to load mol
Line #119 Failed to load mol
Line #121 Failed to load mol
Line #123 Failed to load mol
Line #125 Failed to load mol
Line #126 Failed to load mol
Line #128 Failed to load mol
Line #129 Failed to load mol
Line #130 Failed to load mol
Line #139 Failed to load mol
Line #143 Failed to load mol
Line #144 Failed to load mol
Line #146 Failed to load mol
Line #147 Failed to load mol
Line #148 Failed to load mol
Line #149 Failed to load mol
Line #150 Failed to load mol
Line #152 Failed to load mol
Line #153 Failed to load mol
C15864 unacceptable_atom *
Line #155 Failed to load mol
Line #156 Failed to load mol
Line #162 Failed to load mol
Line #163 Failed to load mol
C15854 unacceptable_atom *
C15851 MW > 999.0
Line #173 Failed to load mol
C15844 MW > 999.0
Line #176 Failed to load mol
Line #177 Failed to load mol
Line #178 Failed to load mol
Line #179 Failed to load mol
Line #180 Failed to load mol
Line #182 Failed to load mol
Line #183 Failed to load mol
Line #184 Failed to load mol
Line #185 Failed to load mol
Line #186 Failed to load mol
Line #187 Failed to load mol
Line #188 Failed to load mol
C15820 unacceptable_atom *
C15819 MW > 999.0
C15817 unacceptable_atom Fe
C15814 unacceptable_atom *
C15813 unacceptable_atom *
C15812 unacceptable_atom *
C15811 unacceptable_atom *
C15810 unacceptable_atom *
Line #205 Failed to load mol
Line #206 Failed to load mol
Line #207 Failed to load mol
Line #208 Failed to load mol
C15775 unacceptable_atom *
C15774 unacceptable_atom *
C15773 unacceptable_atom *
C15764 MW > 999.0
C15763 MW > 999.0
C15752 MW > 999.0
C15750 MW > 999.0
C15749 MW > 999.0
C15748 MW > 999.0
C15747 MW > 999.0
C15746 MW > 999.0
C15745 MW > 999.0
C15744 MW > 999.0
C15741 MW > 999.0
C15727 MW > 999.0
C15722 MW > 999.0
C15721 MW > 999.0
C15718 MW > 999.0
C15717 MW > 999.0
C15711 MW > 999.0
C15698 MW > 999.0
C15697 MW > 999.0
C15695 MW > 999.0
C15686 MW > 999.0
C15672 unacceptable_atom Fe
C15670 unacceptable_atom Fe
C15669 unacceptable_atom *
C15473 no_acceptable_nonsalt_component
C15472 unacceptable_atom Ge
C15471 unacceptable_atom Bi
C15656 unacceptable_atom *
C15653 unacceptable_atom *
C15647 unacceptable_atom *
C15646 unacceptable_atom *
C15645 unacceptable_atom *
C15614 MW > 999.0
C15613 MW > 999.0
Line #408 Failed to load mol
Line #409 Failed to load mol
Line #410 Failed to load mol
C15598 unacceptable_atom *
Line #413 Failed to load mol
Line #414 Failed to load mol
Line #415 Failed to load mol
Line #416 Failed to load mol
Line #417 Failed to load mol
Line #418 Failed to load mol
Line #420 Failed to load mol
Line #425 Failed to load mol
C15578 unacceptable_atom *
C15577 unacceptable_atom *
C15576 unacceptable_atom *
C15575 unacceptable_atom *
C15574 unacceptable_atom *
C15573 unacceptable_atom *
C15565 unacceptable_atom *
C15564 unacceptable_atom *
C15560 MW > 999.0
C15558 unacceptable_atom *
C15544 unacceptable_atom *
C15543 unacceptable_atom *
C15542 MW > 999.0
C15541 unacceptable_atom *
C15540 unacceptable_atom *
C15539 unacceptable_atom *
C15535 unacceptable_atom *
C15534 unacceptable_atom *
C15529 unacceptable_atom *
C15528 unacceptable_atom *
C15521 unacceptable_atom *
C17732 MW < 50.0
Line #37 Failed to load mol
C17689 MW > 999.0
C17633 MW > 999.0
C17629 MW > 999.0
Line #107 Failed to load mol
Line #108 Failed to load mol
C17626 MW > 999.0
C17625 MW > 999.0
C17550 MW > 999.0
C17549 MW > 999.0
C17542 MW > 999.0
C17541 MW > 999.0
C17537 MW > 999.0
C17536 MW > 999.0
C17516 MW > 999.0
C17510 unacceptable_atom *
C17509 unacceptable_atom *
C17487 MW > 999.0
C17478 no_acceptable_nonsalt_component
C17477 unacceptable_atom Ca
C17469 MW > 999.0
C17468 MW > 999.0
C17443 MW > 999.0
C17441 MW > 999.0
C17417 MW > 999.0
C17410 MW > 999.0
C17409 MW > 999.0
C17401 unacceptable_atom Co
C17392 MW < 50.0
Line #335 Failed to load mol
C17389 unacceptable_atom Zn
C17388 unacceptable_atom Ca
C17383 unacceptable_atom Co
C17382 unacceptable_atom Fe
Line #344 Failed to load mol
C17379 unacceptable_atom Pb
C17378 unacceptable_atom *
C17346 MW > 999.0
C17345 MW > 999.0
C17343 MW > 999.0
C17325 unacceptable_atom *
C17324 unacceptable_atom *
C17323 unacceptable_atom *
C17322 unacceptable_atom *
C17266 unacceptable_atom *
C17265 unacceptable_atom *
C17264 unacceptable_atom *
C17263 unacceptable_atom *
C17262 unacceptable_atom *
C17261 unacceptable_atom *
C17260 unacceptable_atom *
C17259 unacceptable_atom *
C17258 no_acceptable_nonsalt_component
C17202 unacceptable_atom *
C17142 unacceptable_atom *
C17141 unacceptable_atom *
C02100 unacceptable_atom *
C02089 unacceptable_atom *
C02085 unacceptable_atom *
C02084 sss > 0
C02075 unacceptable_atom *
C02073 unacceptable_atom *
Line #26 Failed to load mol
C02065 unacceptable_atom *
C02060 MW > 999.0
C02058 unacceptable_atom *
C02056 unacceptable_atom *
C02055 unacceptable_atom *
C02051 unacceptable_atom *
C02050 MW > 999.0
Line #41 Failed to load mol
C02047 unacceptable_atom *
C02041 MW > 999.0
C02038 unacceptable_atom *
C02031 unacceptable_atom *
C02023 unacceptable_atom *
Line #63 Failed to load mol
Line #66 Failed to load mol
C02015 MW > 999.0
C02012 unacceptable_atom *
C02003 unacceptable_atom *
Line #77 Failed to load mol
C02000 unacceptable_atom *
C01997 unacceptable_atom *
Line #91 Failed to load mol
C01978 unacceptable_atom *
C01977 unacceptable_atom *
C01972 unacceptable_atom *
C01960 unacceptable_atom *
C01958 unacceptable_atom *
C01931 unacceptable_atom *
C01928 unacceptable_atom *
Line #138 Failed to load mol
C01918 unacceptable_atom *
C01915 unacceptable_atom *
C01913 unacceptable_atom Fe
C01910 unacceptable_atom *
Line #153 Failed to load mol
C01895 MW > 999.0
C01890 unacceptable_atom *
C01889 unacceptable_atom *
C01887 unacceptable_atom *
C01885 unacceptable_atom *
C01884 unacceptable_atom *
C01883 unacceptable_atom *
C01872 unacceptable_atom *
Line #180 Failed to load mol
Line #181 Failed to load mol
C01861 sss > 0
Line #205 Failed to load mol
Line #207 Failed to load mol
C01813 unacceptable_atom *
C01812 unacceptable_atom *
C01806 ps > 0
C01798 unacceptable_atom *
C01794 MW > 999.0
C01793 unacceptable_atom Mg,*
C01790 unacceptable_atom *
C01783 unacceptable_atom Hg
C01777 unacceptable_atom *
C01776 MW > 999.0
Line #247 Failed to load mol
C01768 unacceptable_atom *
C01764 unacceptable_atom *
C01755 non-hydrogen_atoms < 4
C01754 unacceptable_atom *
C01731 unacceptable_atom *,Hg
Line #290 Failed to load mol
Line #298 Failed to load mol
Line #304 Failed to load mol
C01707 unacceptable_atom *
C01706 unacceptable_atom *
C01702 unacceptable_atom *
Line #314 Failed to load mol
Line #334 Failed to load mol
C01664 unacceptable_atom *
C01663 unacceptable_atom *
C01658 unacceptable_atom *
C01656 unacceptable_atom *
C01654 unacceptable_atom *
Line #344 Failed to load mol
Line #345 Failed to load mol
Line #346 Failed to load mol
Line #347 Failed to load mol
Line #348 Failed to load mol
Line #349 Failed to load mol
Line #350 Failed to load mol
Line #351 Failed to load mol
Line #352 Failed to load mol
Line #353 Failed to load mol
Line #354 Failed to load mol
Line #355 Failed to load mol
Line #356 Failed to load mol
Line #357 Failed to load mol
Line #358 Failed to load mol
Line #359 Failed to load mol
Line #360 Failed to load mol
Line #361 Failed to load mol
Line #362 Failed to load mol
Line #366 Failed to load mol
C01628 unacceptable_atom *
C01615 unacceptable_atom *
C01614 unacceptable_atom *
C01612 unacceptable_atom *
Line #383 Failed to load mol
C01600 unacceptable_atom *
Line #391 Failed to load mol
Line #406 Failed to load mol
Line #409 Failed to load mol
C01573 unacceptable_atom *
C01566 MW < 50.0
Line #421 Failed to load mol
C01548 MW < 50.0
Line #431 Failed to load mol
C01529 unacceptable_atom Se
C01528 unacceptable_atom Se
C01525 unacceptable_atom *
Line #448 Failed to load mol
C01506 unacceptable_atom *
C01505 MW > 999.0
Line #462 Failed to load mol
Line #465 Failed to load mol
Line #466 Failed to load mol
Line #469 Failed to load mol
Line #470 Failed to load mol
C01490 unacceptable_atom *
C01486 validation_error Sanitization error: Explicit valence for atom # 1 Cl, 3, is greater than permitted
C01485 validation_error Sanitization error: Explicit valence for atom # 1 Cl, 5, is greater than permitted
C01478 unacceptable_atom As
C01469 unacceptable_atom *
C01450 unacceptable_atom *
C00238 no_acceptable_nonsalt_component
C00237 MW < 50.0
C00229 unacceptable_atom *
C00226 unacceptable_atom *
C00218 MW < 50.0
Line #24 Failed to load mol
C00211 unacceptable_atom *
C00210 unacceptable_atom *,Co
C00209 no_acceptable_nonsalt_component
Line #34 Failed to load mol
C00201 unacceptable_atom *
C00195 unacceptable_atom *
C00194 unacceptable_atom Co
C00192 MW < 50.0
C00177 MW < 50.0
C00176 unacceptable_atom *
C00175 unacceptable_atom Co
Line #65 Failed to load mol
C00173 unacceptable_atom *
C00172 unacceptable_atom *
C00171 unacceptable_atom *
C00165 unacceptable_atom *
C00162 unacceptable_atom *
C00161 unacceptable_atom *
C00157 unacceptable_atom *
C00154 MW > 999.0
C00151 unacceptable_atom *
C00150 unacceptable_atom Mo
C00145 unacceptable_atom *
Line #99 Failed to load mol
Line #100 Failed to load mol
C00132 MW < 50.0
C00126 unacceptable_atom *,Fe
C00125 unacceptable_atom *,Fe
C00122 no_acceptable_nonsalt_component
C00107 unacceptable_atom *
C00098 unacceptable_atom *
C00088 MW < 50.0
C00087 MW < 50.0
C00084 MW < 50.0
C00080 MW < 50.0
C00076 no_acceptable_nonsalt_component
C00071 unacceptable_atom *
C00070 unacceptable_atom Cu
C00069 unacceptable_atom *
C00067 MW < 50.0
C00066 unacceptable_atom *
C00060 unacceptable_atom *
C00059 no_acceptable_nonsalt_component
C00058 MW < 50.0
Line #185 Failed to load mol
C00046 unacceptable_atom *
C00045 unacceptable_atom *
C00040 unacceptable_atom *
C00039 unacceptable_atom *
C00038 unacceptable_atom Zn
C00034 unacceptable_atom Mn
C00033 no_acceptable_nonsalt_component
C00032 unacceptable_atom Fe
Line #205 Failed to load mol
Line #207 Failed to load mol
C00027 MW < 50.0
C00023 unacceptable_atom Fe
C00017 unacceptable_atom *
C00014 MW < 50.0
C00012 unacceptable_atom *
C00011 MW < 50.0
C00009 no_acceptable_nonsalt_component
C00007 MW < 50.0
C00001 MW < 50.0
C09306 non-hydrogen_atoms < 4
C08989 MW > 999.0
C08987 MW > 999.0
C08986 MW > 999.0
C08982 MW > 999.0
C08978 MW > 999.0
C08977 MW > 999.0
C08973 MW > 999.0
C08970 MW > 999.0
C08967 MW > 999.0
C08960 MW > 999.0
C08956 MW > 999.0
C08938 MW > 999.0
C08934 MW > 999.0
C08933 MW > 999.0
C08927 MW > 999.0
C08926 MW > 999.0
C08921 MW > 999.0
C08917 MW > 999.0
C08915 MW > 999.0
C08911 MW > 999.0
C08910 MW > 999.0
C08908 MW > 999.0
C08907 MW > 999.0
C08906 MW > 999.0
C08900 MW > 999.0
C04235 unacceptable_atom *
C04233 unacceptable_atom *
C04232 unacceptable_atom *
C04230 unacceptable_atom *
C04215 unacceptable_atom *
Line #17 Failed to load mol
C04213 unacceptable_atom *
C04212 unacceptable_atom *
C04202 unacceptable_atom *
C04196 unacceptable_atom *
Line #33 Failed to load mol
C04180 unacceptable_atom *
Line #51 Failed to load mol
C04160 unacceptable_atom *
C04159 unacceptable_atom *
C04158 unacceptable_atom *
C04157 unacceptable_atom *
C04156 unacceptable_atom *
C04155 unacceptable_atom *
C04154 unacceptable_atom *
C04153 unacceptable_atom *
C04152 unacceptable_atom *
C04149 unacceptable_atom *
C04143 unacceptable_atom *
C04142 unacceptable_atom *
C04141 unacceptable_atom *
C04136 unacceptable_atom *
C04135 unacceptable_atom *
C04134 unacceptable_atom *
C04128 unacceptable_atom *
C04125 unacceptable_atom *
C04117 unacceptable_atom *
C04116 unacceptable_atom *
C04099 unacceptable_atom *
Line #103 Failed to load mol
Line #104 Failed to load mol
Line #108 Failed to load mol
C04088 unacceptable_atom *
C04087 unacceptable_atom *
C04080 unacceptable_atom *
C04073 unacceptable_atom *
C04072 unacceptable_atom *
C04061 unacceptable_atom *
C04054 unacceptable_atom Co
C04046 unacceptable_atom *
C04031 unacceptable_atom *
C04026 unacceptable_atom *
C04021 unacceptable_atom *
C04019 unacceptable_atom *
Line #160 Failed to load mol
C04013 unacceptable_atom *
C04010 unacceptable_atom *
Line #169 Failed to load mol
C03983 unacceptable_atom *
C03974 unacceptable_atom *
C03968 unacceptable_atom *
Line #197 Failed to load mol
C03957 unacceptable_atom *
C03956 unacceptable_atom *
Line #210 Failed to load mol
C03941 unacceptable_atom *
C03939 unacceptable_atom *
C03933 unacceptable_atom *
C03924 unacceptable_atom *
C03922 unacceptable_atom *
C03905 unacceptable_atom *
C03904 unacceptable_atom *
C03899 unacceptable_atom *
C03895 unacceptable_atom *
C03893 unacceptable_atom *
C03892 unacceptable_atom *
C03890 unacceptable_atom *
C03889 unacceptable_atom *
C03886 unacceptable_atom *
C03881 unacceptable_atom *
C03880 unacceptable_atom *
C03879 unacceptable_atom *
C03875 unacceptable_atom *
C03874 unacceptable_atom *
C03873 unacceptable_atom *
C03866 unacceptable_atom *
Line #267 Failed to load mol
Line #274 Failed to load mol
C03847 unacceptable_atom *
C03834 unacceptable_atom *
C03823 unacceptable_atom *
C03820 unacceptable_atom *
C03819 unacceptable_atom *
C03808 unacceptable_atom *
Line #300 Failed to load mol
C03803 unacceptable_atom *
C03802 unacceptable_atom *
C03800 unacceptable_atom *
C03798 unacceptable_atom *
C03792 unacceptable_atom *
C03788 unacceptable_atom *
C03773 unacceptable_atom *
C03768 unacceptable_atom *
C03740 unacceptable_atom *
C03730 unacceptable_atom *
C03726 unacceptable_atom *
C03723 unacceptable_atom *
C03721 unacceptable_atom *
C03715 unacceptable_atom *
Line #370 Failed to load mol
C03707 unacceptable_atom *
C03706 unacceptable_atom *
C03702 unacceptable_atom *
C03701 unacceptable_atom *
C03692 unacceptable_atom *
Line #380 Failed to load mol
C03687 MW < 50.0
C03674 unacceptable_atom *
C03667 unacceptable_atom *
C03658 unacceptable_atom *
C03649 unacceptable_atom *
C03645 unacceptable_atom *
Line #418 Failed to load mol
C03638 unacceptable_atom *
C03637 unacceptable_atom *
C03636 unacceptable_atom *
Line #425 Failed to load mol
C03633 unacceptable_atom *
C03632 unacceptable_atom *
C03631 unacceptable_atom *
C03625 unacceptable_atom *
C03620 unacceptable_atom *
C03617 unacceptable_atom *
C03611 unacceptable_atom *
Line #450 Failed to load mol
C03595 MW > 999.0
C03587 unacceptable_atom *
C03573 unacceptable_atom *
C03566 unacceptable_atom *
Line #477 Failed to load mol
Line #484 Failed to load mol
C03535 unacceptable_atom *
C03531 unacceptable_atom *
C03529 unacceptable_atom *
Line #493 Failed to load mol
C03523 unacceptable_atom *
C03518 unacceptable_atom *
C21769 unacceptable_atom Ni
C21763 unacceptable_atom *
Line #9 Failed to load mol
C21744 unacceptable_atom Mn
C21743 unacceptable_atom *
C21742 unacceptable_atom *
C21741 unacceptable_atom *
C21740 unacceptable_atom *
C21699 unacceptable_atom *
C21697 unacceptable_atom *
C21696 unacceptable_atom *
C21680 unacceptable_atom *
C21675 unacceptable_atom *
C21674 unacceptable_atom *
C21673 unacceptable_atom *
C21672 unacceptable_atom *
C21668 unacceptable_atom *
C21666 unacceptable_atom *
C21657 unacceptable_atom *
C21652 unacceptable_atom *
C21651 unacceptable_atom *
C21645 unacceptable_atom *
C21641 MW < 50.0
C21629 unacceptable_atom *
C21628 unacceptable_atom *
C21626 unacceptable_atom *
C21621 unacceptable_atom *
C21609 unacceptable_atom *
C21608 unacceptable_atom *
C21607 unacceptable_atom *
C21606 unacceptable_atom *
C21582 unacceptable_atom Mg,*
C20650 unacceptable_atom Mg,*
C21567 unacceptable_atom *
C21564 unacceptable_atom *
C21532 unacceptable_atom *
C21531 unacceptable_atom *
C21530 unacceptable_atom *
C21529 unacceptable_atom *
C21528 MW > 999.0
C21512 unacceptable_atom Ni
C21511 unacceptable_atom Ni
C21510 unacceptable_atom Ni
C21509 unacceptable_atom *
C21508 unacceptable_atom *
C21507 unacceptable_atom *
C21506 unacceptable_atom *
C21505 unacceptable_atom *
C21504 unacceptable_atom *
C21503 MW > 999.0
C21502 MW > 999.0
C21501 unacceptable_atom *
C21500 unacceptable_atom *
C21499 unacceptable_atom *
C21498 unacceptable_atom *
C21494 unacceptable_atom *
C21493 MW > 999.0
C21489 unacceptable_atom *
C21488 unacceptable_atom *
C21487 unacceptable_atom *
C21486 unacceptable_atom Mo
C21485 unacceptable_atom Mo
C19871 unacceptable_atom Mo
C21472 MW > 999.0
C21471 MW > 999.0
C21470 MW > 999.0
C21469 MW > 999.0
C21468 unacceptable_atom *
C21467 unacceptable_atom *
C21466 unacceptable_atom *
C21465 unacceptable_atom *
C21464 MW > 999.0
C21463 MW > 999.0
C21462 MW > 999.0
C21461 MW > 999.0
C21458 unacceptable_atom *
C21457 unacceptable_atom *
C21456 unacceptable_atom *
C21455 unacceptable_atom *
C21451 unacceptable_atom *
C21449 MW > 999.0
C21441 unacceptable_atom Mg
C21440 unacceptable_atom *
C21437 unacceptable_atom *
C21435 unacceptable_atom Mg
C21434 unacceptable_atom Mg
C21433 unacceptable_atom Mg
C21432 unacceptable_atom Mg
C21431 unacceptable_atom Mg
C21430 unacceptable_atom *
C21429 unacceptable_atom Mg
C21428 unacceptable_atom Mg
C21427 unacceptable_atom Mg
C21426 unacceptable_atom Mg,*
C21407 unacceptable_atom Mg,*
C21394 unacceptable_atom *
C21393 unacceptable_atom *
C21392 unacceptable_atom *
C21388 unacceptable_atom *
C21387 unacceptable_atom *
C21386 unacceptable_atom *
C21378 unacceptable_atom *
C21377 unacceptable_atom *
C21376 unacceptable_atom *
C21375 unacceptable_atom *
C21361 unacceptable_atom *
C21357 unacceptable_atom *
C21347 unacceptable_atom *
C21346 unacceptable_atom *
C21345 unacceptable_atom *
C21344 unacceptable_atom *
C21343 unacceptable_atom *
C21342 MW > 999.0
C21341 MW > 999.0
C21340 MW > 999.0
C21339 sss > 0
C21338 sss > 0
C21337 sss > 0
C21328 unacceptable_atom *
C21327 unacceptable_atom *
C21324 MW > 999.0
C21319 unacceptable_atom *
C21318 unacceptable_atom *
C21317 unacceptable_atom *
C21316 unacceptable_atom *
C21315 unacceptable_atom *
C21314 unacceptable_atom *
C21311 unacceptable_atom *
C21309 unacceptable_atom *
C21366 unacceptable_atom *
C21365 unacceptable_atom *
C21364 unacceptable_atom *
C21301 MW > 999.0
C21300 unacceptable_atom *
C21299 unacceptable_atom *
C21284 unacceptable_atom Fe
Line #494 Failed to load mol
Line #495 Failed to load mol
Line #496 Failed to load mol
Line #497 Failed to load mol
Line #498 Failed to load mol
Line #499 Failed to load mol
C08895 MW > 999.0
C08892 MW > 999.0
C08889 MW > 999.0
C08888 MW > 999.0
C08887 MW > 999.0
Line #71 Failed to load mol
Line #74 Failed to load mol
Line #77 Failed to load mol
Line #80 Failed to load mol
C08721 unacceptable_atom *
C08642 MW > 999.0
C08641 MW > 999.0
C08609 MW > 999.0
C08597 MW > 999.0
Line #1 Failed to load mol
Line #2 Failed to load mol
Line #3 Failed to load mol
Line #4 Failed to load mol
Line #5 Failed to load mol
Line #6 Failed to load mol
Line #7 Failed to load mol
Line #8 Failed to load mol
Line #9 Failed to load mol
Line #10 Failed to load mol
Line #11 Failed to load mol
Line #12 Failed to load mol
Line #13 Failed to load mol
Line #14 Failed to load mol
Line #15 Failed to load mol
Line #16 Failed to load mol
Line #17 Failed to load mol
Line #18 Failed to load mol
Line #19 Failed to load mol
C21240 unacceptable_atom *
C21217 unacceptable_atom Mg
C21210 unacceptable_atom *
C21207 unacceptable_atom *
C21194 unacceptable_atom *
C21193 unacceptable_atom *
C21190 unacceptable_atom *
C21189 unacceptable_atom *
C21188 unacceptable_atom *
C21179 unacceptable_atom *
C21178 unacceptable_atom *
C21177 unacceptable_atom *
C21174 MW > 999.0
C21173 MW > 999.0
C21172 unacceptable_atom *
C21171 unacceptable_atom *
C21165 unacceptable_atom *
C21158 unacceptable_atom *
C21157 MW > 999.0
C21153 unacceptable_atom Co
C21151 unacceptable_atom *
C21129 unacceptable_atom *
C21115 unacceptable_atom *
C21114 unacceptable_atom *
C21108 unacceptable_atom *
C21101 unacceptable_atom *
C21099 unacceptable_atom *
C21098 unacceptable_atom *
C21097 unacceptable_atom *
C21083 MW > 999.0
C21082 MW > 999.0
C21072 MW > 999.0
C21014 validation_error Sanitization error: Explicit valence for atom # 9 N, 4, is greater than permitted
C21013 unacceptable_atom *
C21012 unacceptable_atom *
C21011 unacceptable_atom *
C21031 unacceptable_atom *
C21025 unacceptable_atom *
C21024 unacceptable_atom *
C21023 unacceptable_atom *
C21022 unacceptable_atom *
C21021 unacceptable_atom *
C21020 unacceptable_atom *
C21019 unacceptable_atom *
C21018 unacceptable_atom *
C21006 MW > 999.0
C21005 MW > 999.0
C21000 MW > 999.0
C20999 MW > 999.0
C20998 MW > 999.0
C20997 MW > 999.0
C20996 MW > 999.0
C20991 unacceptable_atom *
C20970 MW > 999.0
C20951 unacceptable_atom *
C20950 unacceptable_atom *
C20949 unacceptable_atom *
C20948 unacceptable_atom *
C20947 MW > 999.0
C20937 MW < 50.0
C20936 MW > 999.0
C20935 MW > 999.0
C20933 MW > 999.0
Line #334 Failed to load mol
C20929 unacceptable_atom *
C20909 unacceptable_atom *
C20908 unacceptable_atom *
C20907 unacceptable_atom *
C20906 unacceptable_atom *
C20898 unacceptable_atom *
C20897 unacceptable_atom *
C20886 MW > 999.0
C20882 MW > 999.0
C20881 MW > 999.0
C20880 MW > 999.0
C20879 unacceptable_atom *
C20878 unacceptable_atom *
C20877 unacceptable_atom *
C20876 unacceptable_atom *
C20875 MW > 999.0
C20874 MW > 999.0
C20873 MW > 999.0
C20869 MW > 999.0
C20864 unacceptable_atom *
C20863 unacceptable_atom *
C20862 unacceptable_atom *
C20860 unacceptable_atom *
C20859 unacceptable_atom *
C20858 unacceptable_atom *
C20840 MW > 999.0
Line #424 Failed to load mol
Line #428 Failed to load mol
Line #429 Failed to load mol
C20825 unacceptable_atom *
C20810 unacceptable_atom *
C20796 unacceptable_atom *
C20794 unacceptable_atom *
C20791 unacceptable_atom *
C20783 MW < 50.0
C20763 MW > 999.0
C20762 MW > 999.0
C20761 MW > 999.0
C20759 MW > 999.0
C07613 MW > 999.0
C07612 MW > 999.0
C07607 MW > 999.0
C07597 unacceptable_atom Fe
C07550 MW > 999.0
C07549 MW > 999.0
C07498 ps > 0
C07497 ps > 0
C07343 MW > 999.0
C07331 non-hydrogen_atoms < 4
C07314 unacceptable_atom *
C07308 unacceptable_atom As
C07306 MW > 999.0
Line #290 Failed to load mol
Line #295 Failed to load mol
Line #296 Failed to load mol
C07297 MW > 999.0
C07296 MW > 999.0
C07295 unacceptable_atom As
C07294 unacceptable_atom As
Line #301 Failed to load mol
Line #302 Failed to load mol
Line #303 Failed to load mol
C07282 unacceptable_atom *
C07281 unacceptable_atom *
C07279 unacceptable_atom As
C07269 unacceptable_atom Fe
C07105 MW > 999.0
C18355 unacceptable_atom *
C18353 unacceptable_atom *
C18337 unacceptable_atom *
C18336 unacceptable_atom *
C18335 unacceptable_atom *
C18334 unacceptable_atom *
C18333 unacceptable_atom *
C18332 unacceptable_atom *
C18331 unacceptable_atom *
C18330 unacceptable_atom *
C18329 unacceptable_atom *
C18328 unacceptable_atom *
C18327 unacceptable_atom *
Line #30 Failed to load mol
C17877 ps > 0
Line #44 Failed to load mol
C18294 unacceptable_atom *
C18293 unacceptable_atom *
Line #65 Failed to load mol
Line #66 Failed to load mol
Line #67 Failed to load mol
Line #68 Failed to load mol
Line #69 Failed to load mol
Line #70 Failed to load mol
C18248 non-hydrogen_atoms < 4
C18237 unacceptable_atom Mo
Line #123 Failed to load mol
Line #124 Failed to load mol
Line #146 Failed to load mol
Line #147 Failed to load mol
Line #148 Failed to load mol
Line #158 Failed to load mol
Line #164 Failed to load mol
Line #165 Failed to load mol
Line #166 Failed to load mol
Line #167 Failed to load mol
Line #168 Failed to load mol
Line #174 Failed to load mol
Line #175 Failed to load mol
Line #176 Failed to load mol
Line #177 Failed to load mol
Line #178 Failed to load mol
Line #179 Failed to load mol
Line #180 Failed to load mol
Line #181 Failed to load mol
Line #182 Failed to load mol
Line #183 Failed to load mol
C18169 unacceptable_atom *
C18168 unacceptable_atom *
C18163 unacceptable_atom Mg,*
C18162 unacceptable_atom Mg,*
C18161 unacceptable_atom Mg,*
C18160 unacceptable_atom Mg,*
C18157 unacceptable_atom Mg
C18156 unacceptable_atom Mg
C18155 unacceptable_atom Mg
C18154 unacceptable_atom Mg
C18153 unacceptable_atom Mg
C18152 unacceptable_atom Mg
C18151 unacceptable_atom Mg
Line #219 Failed to load mol
C18129 unacceptable_atom *
C18126 unacceptable_atom *
C18125 unacceptable_atom *
C18089 unacceptable_atom *
C18088 unacceptable_atom *
C18087 unacceptable_atom *
C18086 unacceptable_atom *
C18061 unacceptable_atom *
C18059 MW > 999.0
Line #303 Failed to load mol
C18049 unacceptable_atom *
C18047 unacceptable_atom *
C18046 unacceptable_atom *
C18009 unacceptable_atom *
C18008 unacceptable_atom *
C18007 unacceptable_atom *
C18006 unacceptable_atom *
C17959 MW > 999.0
Line #422 Failed to load mol
Line #423 Failed to load mol
Line #8 Failed to load mol
C10827 MW > 999.0
C10803 MW > 999.0
C13884 unacceptable_atom Sr
C13881 unacceptable_atom Ba
C13874 MW > 999.0
C13872 MW > 999.0
C13842 MW > 999.0
C13789 unacceptable_atom *
C13781 unacceptable_atom *
Line #104 Failed to load mol
C13681 validation_error Sanitization error: Explicit valence for atom # 11 F, 2, is greater than permitted
C13662 MW > 999.0
Line #118 Failed to load mol
C13619 unacceptable_atom As
C13613 MW > 999.0
C13612 MW > 999.0
C13610 MW > 999.0
C13588 MW > 999.0
C13587 MW > 999.0
C13569 MW > 999.0
C13563 no_acceptable_nonsalt_component
C13558 no_acceptable_nonsalt_component
C13557 no_acceptable_nonsalt_component
C13556 no_acceptable_nonsalt_component
C13553 unacceptable_atom *
C13523 unacceptable_atom *
C13500 unacceptable_atom *
C13451 MW > 999.0
C13743 ps > 0
C13742 ps > 0
C13726 unacceptable_atom *
C13724 unacceptable_atom *
C13723 unacceptable_atom *
C13645 non-hydrogen_atoms < 4
C13515 unacceptable_atom Rb
C13508 unacceptable_atom *
C13452 MW > 999.0
C13450 MW > 999.0
Line #289 Failed to load mol
C13391 unacceptable_atom Al
C13377 unacceptable_atom Hg
C13373 unacceptable_atom Xe
C13301 MW > 999.0
C13199 no_acceptable_nonsalt_component
C13198 no_acceptable_nonsalt_component
C13197 no_acceptable_nonsalt_component
C13194 no_acceptable_nonsalt_component
C13192 no_acceptable_nonsalt_component
C13189 no_acceptable_nonsalt_component
C13183 MW > 999.0
C13156 unacceptable_atom *
C13140 no_acceptable_nonsalt_component
C13102 unacceptable_atom Bi
C13086 unacceptable_atom Ge
C13074 unacceptable_atom *
C12942 unacceptable_atom *
C12862 unacceptable_atom Pt
C12570 unacceptable_atom Zn
C12569 no_acceptable_nonsalt_component
C12568 no_acceptable_nonsalt_component
C12567 no_acceptable_nonsalt_component
C12554 no_acceptable_nonsalt_component
Line #5 Failed to load mol
C00812 unacceptable_atom *
Line #14 Failed to load mol
C00801 unacceptable_atom *
C00797 MW < 50.0
Line #33 Failed to load mol
C00778 unacceptable_atom *
Line #41 Failed to load mol
C00765 MW > 999.0
C00760 unacceptable_atom *
Line #55 Failed to load mol
C00753 unacceptable_atom W
Line #61 Failed to load mol
C00748 unacceptable_atom Fe
C00746 MW > 999.0
C00742 MW < 50.0
C00726 unacceptable_atom *
Line #83 Failed to load mol
C00722 unacceptable_atom *
C00721 unacceptable_atom *
C00720 unacceptable_atom *
C00718 unacceptable_atom *
C00717 unacceptable_atom *
C00714 unacceptable_atom *
C00708 no_acceptable_nonsalt_component
C00707 unacceptable_atom *
C00706 unacceptable_atom *
C00704 MW < 50.0
C00703 unacceptable_atom Hg
Line #102 Failed to load mol
C00698 no_acceptable_nonsalt_component
C00697 MW < 50.0
C00694 unacceptable_atom *
C00693 unacceptable_atom *
C00686 unacceptable_atom *
C00685 unacceptable_atom *
C00681 unacceptable_atom *
C00677 unacceptable_atom *
C00676 unacceptable_atom *
C00675 unacceptable_atom *
Line #132 Failed to load mol
Line #137 Failed to load mol
C00658 unacceptable_atom *
C00653 unacceptable_atom *
C00641 unacceptable_atom *
C00640 unacceptable_atom *
C00638 unacceptable_atom *
C00635 unacceptable_atom *
C00634 unacceptable_atom *
C00625 unacceptable_atom *
C00615 unacceptable_atom *
C00614 unacceptable_atom *
C00613 unacceptable_atom *
C00609 unacceptable_atom *
C00608 unacceptable_atom *
C00607 unacceptable_atom *
C00605 unacceptable_atom *
C00602 unacceptable_atom *
C00591 unacceptable_atom *
C00585 unacceptable_atom *
C00580 non-hydrogen_atoms < 4
C00574 unacceptable_atom *
C00573 unacceptable_atom *
Line #211 Failed to load mol
Line #216 Failed to load mol
C00552 no_acceptable_nonsalt_component
Line #225 Failed to load mol
C00550 unacceptable_atom *
C00543 MW < 50.0
C00541 unacceptable_atom Co
C00538 unacceptable_atom *
C00533 MW < 50.0
C00524 unacceptable_atom *,Fe
C00518 unacceptable_atom *
Line #257 Failed to load mol
C00510 MW > 999.0
Line #268 Failed to load mol
Line #277 Failed to load mol
C00488 MW < 50.0
C00484 unacceptable_atom *
C00480 unacceptable_atom *
C00469 MW < 50.0
Line #305 Failed to load mol
C00462 unacceptable_atom *
C00461 unacceptable_atom *
C00454 unacceptable_atom *
C00444 unacceptable_atom *
Line #328 Failed to load mol
C00434 unacceptable_atom *
C00426 unacceptable_atom *
C00422 unacceptable_atom *
C00419 unacceptable_atom *
C00416 unacceptable_atom *
C00412 MW > 999.0
C00409 MW < 50.0
C00405 unacceptable_atom *
C00403 unacceptable_atom *
C00401 unacceptable_atom *
C00395 unacceptable_atom *
Line #366 Failed to load mol
Line #368 Failed to load mol
C00384 unacceptable_atom *
Line #381 Failed to load mol
C00375 unacceptable_atom *
C00374 unacceptable_atom *
Line #385 Failed to load mol
C00372 unacceptable_atom *
C00369 unacceptable_atom *
Line #390 Failed to load mol
C00351 unacceptable_atom *
C00350 unacceptable_atom *
C00347 unacceptable_atom *
C00344 unacceptable_atom *
C00343 unacceptable_atom *
C00342 unacceptable_atom *
Line #415 Failed to load mol
C00339 unacceptable_atom *
Line #417 Failed to load mol
Line #427 Failed to load mol
C00324 unacceptable_atom Fe
C00306 MW > 999.0
C00305 no_acceptable_nonsalt_component
C00304 unacceptable_atom *
Line #453 Failed to load mol
C00297 unacceptable_atom *
C00291 unacceptable_atom Ni
Line #460 Failed to load mol
C00283 MW < 50.0
C00282 MW < 50.0
C00269 unacceptable_atom *
C00264 unacceptable_atom *
C00244 no_acceptable_nonsalt_component
C00241 unacceptable_atom *
C00240 unacceptable_atom *