M038369 MW > 999.0 M038436 MW > 999.0 M038494 MW > 999.0 M038673 MW > 999.0 I005008 unacceptable_atom Na I005260 MW > 999.0 I005395 isotopes13c > 0 I005734 MW > 999.0 I005737 MW > 999.0 I005951 ps > 0 I005977 MW > 999.0 I006019 MW > 999.0 I006029 MW > 999.0 I006158 ps > 0 I006190 unacceptable_atom Mn I006309 isotopes2h > 0 I006311 isotopes2h > 0 I006330 ps > 0 Line #472 Failed to load mol Line #487 Failed to load mol R071131 no_acceptable_nonsalt_component R071135 unacceptable_atom Cr R071136 no_acceptable_nonsalt_component R071137 unacceptable_atom Cr R071138 no_acceptable_nonsalt_component R071139 unacceptable_atom Sb R071140 unacceptable_atom As R071141 no_acceptable_nonsalt_component R071142 unacceptable_atom Sb R071143 unacceptable_atom Sb R071144 non-hydrogen_atoms < 4 R071145 unacceptable_atom W R071146 unacceptable_atom Sb R071147 unacceptable_atom Sb R071149 unacceptable_atom As R071157 unacceptable_atom Bi R071158 unacceptable_atom Bi R071161 unacceptable_atom Al R071162 unacceptable_atom Ba R071166 unacceptable_atom Cd R071171 no_acceptable_nonsalt_component R071175 non-hydrogen_atoms < 4 R071179 no_acceptable_nonsalt_component R071185 unacceptable_atom Be R071187 unacceptable_atom Cr R071194 unacceptable_atom Al R071196 no_acceptable_nonsalt_component R071197 unacceptable_atom Fe R071200 MW < 50.0 R071203 MW < 50.0 R071207 unacceptable_atom Cr R071209 unacceptable_atom Pb R071214 no_acceptable_nonsalt_component R071215 no_acceptable_nonsalt_component R071221 no_acceptable_nonsalt_component R071222 no_acceptable_nonsalt_component R071224 unacceptable_atom Zr R071225 no_acceptable_nonsalt_component R071228 unacceptable_atom Mn R071229 unacceptable_atom Mn R071232 unacceptable_atom Mn R071233 unacceptable_atom Mn R071234 unacceptable_atom Co R071236 validation_error Explicit valence for atom # 1 Si, 8, is greater than permitted R071237 unacceptable_atom Hg R071239 unacceptable_atom Hg R071240 MW < 50.0 R071241 unacceptable_atom Hg R071250 no_acceptable_nonsalt_component R071253 unacceptable_atom Fe R071256 MW < 50.0 R071257 unacceptable_atom Fe R071260 unacceptable_atom Ca R071264 no_acceptable_nonsalt_component R071269 unacceptable_atom V R071270 unacceptable_atom Pb R071271 unacceptable_atom Ta R071272 non-hydrogen_atoms < 4 R071274 unacceptable_atom V R071276 unacceptable_atom Cd R071282 MW < 50.0 R071283 MW < 50.0 R071286 no_acceptable_nonsalt_component R071288 unacceptable_atom Zn R071289 unacceptable_atom Zr R071290 no_acceptable_nonsalt_component R071294 unacceptable_atom Hg R071295 unacceptable_atom Hg R071296 unacceptable_atom Hg R071298 unacceptable_atom Ni R071302 no_acceptable_nonsalt_component R071304 unacceptable_atom Cr R071305 unacceptable_atom Cr R071307 unacceptable_atom Be R071350 MW > 999.0 I011875 MW > 999.0 I003427 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted I012037 MW > 999.0 I012038 ps > 0 M144273 unacceptable_atom As Line #407 Failed to load mol Line #447 Failed to load mol Line #491 Failed to load mol M034503 MW > 999.0 M034512 MW > 999.0 M034581 MW > 999.0 M034675 MW > 999.0 M034698 MW > 999.0 M034716 MW > 999.0 M034983 MW > 999.0 R040111 MW > 999.0 R040299 unacceptable_atom Se R040550 MW > 999.0 R040626 MW > 999.0 Line #474 Failed to load mol R040891 non-hydrogen_atoms < 4 M177298 unacceptable_atom Se M297545 ps > 0 R070254 unacceptable_atom As R070277 MW > 999.0 M140971 MW > 999.0 M141012 unacceptable_atom Pd M141017 MW > 999.0 M141019 unacceptable_atom Se M141035 MW > 999.0 M026068 ps > 0 M026109 MW > 999.0 M026186 MW > 999.0 M026193 MW > 999.0 M026269 unacceptable_atom Ge M026317 MW > 999.0 M026340 MW > 999.0 M026344 MW > 999.0 M026347 ps > 0 M026351 MW > 999.0 M026504 MW > 999.0 M026573 MW > 999.0 M026596 MW > 999.0 M026662 MW > 999.0 M026703 MW > 999.0 M026714 MW > 999.0 M026715 MW > 999.0 M026743 MW > 999.0 R021175 unacceptable_atom As R021177 unacceptable_atom As R021182 unacceptable_atom As R021191 unacceptable_atom As R021197 unacceptable_atom As R021199 unacceptable_atom As R021213 MW > 999.0 Line #57 Failed to load mol R021217 unacceptable_atom As R021271 no_acceptable_nonsalt_component R021297 no_acceptable_nonsalt_component R021343 unacceptable_atom As R021344 MW > 999.0 R021381 unacceptable_atom Fe R021468 unacceptable_atom Pt R021470 unacceptable_atom Ag R021482 no_acceptable_nonsalt_component R021517 unacceptable_atom Ag R021672 non-hydrogen_atoms < 4 R021732 unacceptable_atom Se R021742 MW < 50.0 R021776 unacceptable_atom Cu R021780 unacceptable_atom Al R021864 MW > 999.0 R021917 unacceptable_atom Se M136571 MW > 999.0 M136640 MW > 999.0 M136652 unacceptable_atom Al M136690 MW > 999.0 M136850 MW > 999.0 M136860 MW > 999.0 M136872 MW > 999.0 M136878 MW > 999.0 M137144 ps > 0 P000274 MW > 999.0 P000276 MW > 999.0 P000277 MW > 999.0 Line #5 Failed to load mol P000279 MW > 999.0 Line #7 Failed to load mol P000281 MW > 999.0 P000282 MW > 999.0 Line #10 Failed to load mol P000285 MW > 999.0 P000286 MW > 999.0 P000288 MW > 999.0 P000289 MW > 999.0 P000290 MW > 999.0 P000291 MW > 999.0 P000293 MW > 999.0 P000294 MW > 999.0 P000295 MW > 999.0 P000301 MW > 999.0 P000302 MW > 999.0 P000303 MW > 999.0 P000304 MW > 999.0 P000305 MW > 999.0 P000307 MW > 999.0 P000308 MW > 999.0 P000310 MW > 999.0 P000316 MW > 999.0 P000317 MW > 999.0 P000318 MW > 999.0 P000320 MW > 999.0 P000321 MW > 999.0 P000324 MW > 999.0 P000325 MW > 999.0 P000327 MW > 999.0 P000329 MW > 999.0 P000331 MW > 999.0 P000332 MW > 999.0 Line #44 Failed to load mol P000341 MW > 999.0 P000342 MW > 999.0 I010392 ps > 0 R030653 ps > 0 R030860 non-hydrogen_atoms < 4 R030866 ps > 0 R030870 ps > 0 R030940 ps > 0 R030943 ps > 0 R030945 ps > 0 R031054 unacceptable_atom Se R031059 MW > 999.0 R031162 MW > 999.0 R031166 MW > 999.0 R031510 non-hydrogen_atoms < 4 R031626 MW < 50.0 R031725 unacceptable_atom Al R031794 no_acceptable_nonsalt_component R031868 no_acceptable_nonsalt_component R031964 MW > 999.0 M030530 MW > 999.0 M030542 MW < 50.0 M030612 MW > 999.0 M030634 MW > 999.0 M030641 MW > 999.0 M321806 unacceptable_atom Se M060219 unacceptable_atom Cr M060224 unacceptable_atom Y M060238 MW < 50.0 M060240 unacceptable_atom Lu M060244 unacceptable_atom Ce M060262 unacceptable_atom Au M060270 unacceptable_atom Zn M060316 unacceptable_atom La M060321 ps > 0 M060327 unacceptable_atom Sc M060335 MW < 50.0 M060336 MW < 50.0 M060356 unacceptable_atom Dy M060369 unacceptable_atom Rn M060377 unacceptable_atom Cr M060396 unacceptable_atom Te M060427 unacceptable_atom Bi M060435 MW < 50.0 M060446 unacceptable_atom Ni M060450 unacceptable_atom Al M060457 unacceptable_atom Mn M060475 MW < 50.0 M060476 unacceptable_atom As M060488 unacceptable_atom Y,As M060499 unacceptable_atom Sb M060505 MW < 50.0 M060508 MW < 50.0 M060529 unacceptable_atom Re M060533 unacceptable_atom Mo M060536 unacceptable_atom Ga M060540 unacceptable_atom Co M060552 unacceptable_atom Cr M060554 unacceptable_atom As M060559 unacceptable_atom In M060565 MW < 50.0 M060576 unacceptable_atom Al M060587 unacceptable_atom Ru M060591 sss > 0 M060594 unacceptable_atom Se M060619 unacceptable_atom Ti M060629 unacceptable_atom W M060633 unacceptable_atom Sb M060651 unacceptable_atom Zn M060658 unacceptable_atom Cr M060668 unacceptable_atom Nb M060706 unacceptable_atom Xe M060712 unacceptable_atom Al M060730 sss > 0 M060731 MW < 50.0 M060735 MW < 50.0 M060745 unacceptable_atom Mo M060750 unacceptable_atom Mo M060752 unacceptable_atom Al M060773 unacceptable_atom V M060775 unacceptable_atom Pr M060777 MW > 999.0 M060779 unacceptable_atom As M060812 MW < 50.0 M060827 MW > 999.0 M060828 unacceptable_atom Mn M060841 unacceptable_atom Y M060845 no_acceptable_nonsalt_component M060855 unacceptable_atom Fe M060872 unacceptable_atom Be M060893 MW < 50.0 M060896 unacceptable_atom W M060927 unacceptable_atom Ti M060928 unacceptable_atom La M060938 unacceptable_atom Lu M060946 unacceptable_atom W M060949 MW < 50.0 M060951 unacceptable_atom Pd M060975 MW < 50.0 M092487 MW > 999.0 M092512 MW > 999.0 M092519 MW > 999.0 M092552 MW > 999.0 M092581 MW > 999.0 M092600 MW > 999.0 M092622 MW > 999.0 M092694 MW > 999.0 M092806 MW > 999.0 M092807 MW > 999.0 M092902 MW > 999.0 M092960 MW > 999.0 M093006 MW > 999.0 M093106 unacceptable_atom Al M093121 MW > 999.0 M215327 ps > 0 M215344 ps > 0 R018206 MW < 50.0 R018216 MW < 50.0 R018484 unacceptable_atom Pd M050963 ps > 0 M050965 unacceptable_atom Fe M050996 unacceptable_atom Al M051026 unacceptable_atom Re M051063 MW < 50.0 M051105 unacceptable_atom Al M051110 unacceptable_atom Ga M051113 ps > 0 M051125 unacceptable_atom As M051132 unacceptable_atom As M051147 unacceptable_atom Al M051182 unacceptable_atom W M051225 ps > 0 M051253 ps > 0 M051262 unacceptable_atom Al M051282 MW > 999.0 M051309 unacceptable_atom Mn M051317 unacceptable_atom Al M051337 unacceptable_atom Ru M051339 sss > 0 M051343 unacceptable_atom V M051344 non-hydrogen_atoms < 4 M051348 unacceptable_atom Ge,Te M051360 unacceptable_atom Al M051375 unacceptable_atom Nd M051378 unacceptable_atom Pu M051386 non-hydrogen_atoms < 4 M051389 unacceptable_atom Dy M051409 unacceptable_atom Li,As M051410 MW > 999.0 M051414 unacceptable_atom Cr M051425 unacceptable_atom Cr M051426 no_acceptable_nonsalt_component M051432 unacceptable_atom W M051450 no_acceptable_nonsalt_component M051462 MW < 50.0 M051467 unacceptable_atom Al M051468 unacceptable_atom V M051484 unacceptable_atom Se M051500 unacceptable_atom Pt M051520 unacceptable_atom W M051566 unacceptable_atom Ta M051568 no_acceptable_nonsalt_component M051569 no_acceptable_nonsalt_component M051575 unacceptable_atom Ti M051576 non-hydrogen_atoms < 4 M051580 MW > 999.0 M051588 unacceptable_atom Au M051595 ps > 0 M051597 unacceptable_atom Cr M051606 unacceptable_atom Sc M051608 unacceptable_atom Al M051623 unacceptable_atom Ru M051632 validation_error Explicit valence for atom # 18 Br, 3, is greater than permitted M051634 unacceptable_atom Al M051639 unacceptable_atom Pb M051644 unacceptable_atom Te,Co M051646 unacceptable_atom Al M051652 unacceptable_atom Al M051658 unacceptable_atom Cr M051662 unacceptable_atom Cr M051666 unacceptable_atom V M051668 unacceptable_atom Kr M051670 unacceptable_atom Se M051694 unacceptable_atom Fe M051698 unacceptable_atom Pb M051699 unacceptable_atom Ba,Te M085768 no_acceptable_nonsalt_component M085782 MW > 999.0 M085785 MW < 50.0 M085792 MW > 999.0 M085813 unacceptable_atom As M085819 unacceptable_atom Al M085820 MW > 999.0 M085859 ps > 0 M085877 MW > 999.0 M085878 validation_error Explicit valence for atom # 3 Si, 8, is greater than permitted M085905 MW < 50.0 M085949 unacceptable_atom Nb M085954 ps > 0 M085959 non-hydrogen_atoms < 4 M085963 unacceptable_atom Co M086030 unacceptable_atom Te M086136 unacceptable_atom Fe M086186 MW < 50.0 M086287 ps > 0 M086352 unacceptable_atom Ir M086358 unacceptable_atom Ir R000604 MW > 999.0 R000611 MW > 999.0 R000726 unacceptable_atom As R001106 MW > 999.0 M042285 MW > 999.0 M042309 MW > 999.0 M042330 MW > 999.0 M042415 MW > 999.0 M042477 MW > 999.0 M042611 MW > 999.0 M042666 MW > 999.0 M042827 MW > 999.0 M042835 unacceptable_atom Ta M042905 MW > 999.0 M049383 unacceptable_atom Ba M049408 unacceptable_atom Co M049421 unacceptable_atom Pb M049460 non-hydrogen_atoms < 4 M049474 unacceptable_atom Cu M049497 unacceptable_atom Hg M049514 MW > 999.0 M049530 ps > 0 M049555 MW < 50.0 M049571 unacceptable_atom Ge M049598 unacceptable_atom Al M049609 MW < 50.0 M049628 unacceptable_atom Se M049638 MW < 50.0 M049657 unacceptable_atom Cd M049699 MW > 999.0 M049704 ps > 0 M049711 MW < 50.0 M049722 unacceptable_atom Co M049727 no_acceptable_nonsalt_component M049751 unacceptable_atom Ir M049777 ps > 0 M049791 unacceptable_atom As M049792 sss > 0 M049805 unacceptable_atom Ge M049822 unacceptable_atom Pb,Te M049827 MW > 999.0 M049854 MW < 50.0 M049872 unacceptable_atom Zn M049926 MW < 50.0 M049927 no_acceptable_nonsalt_component M049952 unacceptable_atom As,Ga M049966 MW < 50.0 M050046 unacceptable_atom Se M050091 non-hydrogen_atoms < 4 M050096 sss > 0 M050103 unacceptable_atom Al M050124 unacceptable_atom Co M050132 MW < 50.0 R005696 unacceptable_atom Se R005697 unacceptable_atom Se M015580 unacceptable_atom Pd M015688 MW > 999.0 M015690 MW > 999.0 M015751 MW > 999.0 M015816 MW > 999.0 M015868 MW > 999.0 M015975 MW > 999.0 M001278 MW > 999.0 M001280 MW > 999.0 M001428 MW > 999.0 M001464 unacceptable_atom Eu M001516 MW > 999.0 M001538 MW > 999.0 M001551 unacceptable_atom Lu M001565 unacceptable_atom Dy M001576 MW > 999.0 M001579 MW > 999.0 M001600 MW > 999.0 M001675 MW > 999.0 M001716 MW > 999.0 M001826 MW > 999.0 M001847 ps > 0 M343138 ps > 0 M343139 ps > 0 M343240 ps > 0 M343245 ps > 0 M188615 ps > 0 M131300 MW > 999.0 M131357 MW > 999.0 M131431 MW > 999.0 M131444 unacceptable_atom Pt M131466 MW < 50.0 M131479 MW > 999.0 M131506 MW > 999.0 M131553 MW < 50.0 M131594 unacceptable_atom Gd,Sb M131599 MW > 999.0 M131692 MW > 999.0 M131896 MW > 999.0 M138570 ps > 0 M348278 unacceptable_atom Se M348279 unacceptable_atom Se R052748 unacceptable_atom As R053034 ps > 0 R053126 ps > 0 R053204 ps > 0 R053205 ps > 0 R053249 ps > 0 R053300 unacceptable_atom As M117096 MW > 999.0 M117136 MW > 999.0 M117138 MW > 999.0 M117156 unacceptable_atom At M117206 MW > 999.0 M117305 unacceptable_atom Al M117363 MW < 50.0 M117388 MW > 999.0 M117421 MW > 999.0 M117444 MW > 999.0 M117478 unacceptable_atom Se M117517 MW > 999.0 M117642 MW > 999.0 M117722 MW > 999.0 M117748 MW > 999.0 M117780 MW > 999.0 M117787 MW > 999.0 M199787 ps > 0 M199788 ps > 0 M007341 MW > 999.0 M007411 MW > 999.0 M007430 unacceptable_atom Gd M007502 MW > 999.0 M007574 unacceptable_atom Cr M007587 unacceptable_atom As M007624 MW > 999.0 M007669 unacceptable_atom As M007680 MW > 999.0 M007719 unacceptable_atom La M007826 ps > 0 M007841 MW > 999.0 M007869 ps > 0 M007881 ps > 0 M007904 MW > 999.0 M007951 unacceptable_atom Pr R047185 ps > 0 R047636 no_acceptable_nonsalt_component M289966 unacceptable_atom Se M289967 unacceptable_atom Se M289970 unacceptable_atom Se M202650 ps > 0 M202651 ps > 0 M074991 unacceptable_atom Cu M074999 unacceptable_atom Al M075021 unacceptable_atom Ni M075058 unacceptable_atom Ga M075091 unacceptable_atom As M075098 unacceptable_atom Hg M075130 unacceptable_atom Se M075133 MW < 50.0 M075144 unacceptable_atom V M075148 unacceptable_atom Nb M075174 unacceptable_atom Zn M075186 unacceptable_atom Cu M075236 ps > 0 M075251 unacceptable_atom Pt M075252 MW > 999.0 M075261 non-hydrogen_atoms < 4 M075294 non-hydrogen_atoms < 4 M075388 ps > 0 M075414 unacceptable_atom Te M075417 unacceptable_atom As M114164 MW > 999.0 M114172 MW > 999.0 M114178 MW > 999.0 M114322 MW > 999.0 M114326 MW > 999.0 M114341 MW > 999.0 M114349 MW > 999.0 M114455 MW > 999.0 M114465 MW > 999.0 M114512 MW > 999.0 M114529 MW > 999.0 M114644 unacceptable_atom Mo M114661 MW > 999.0 M114663 MW > 999.0 M114725 MW > 999.0 M114735 MW > 999.0 M114789 MW > 999.0 M114907 MW > 999.0 M078750 unacceptable_atom Sb M078808 no_acceptable_nonsalt_component M078856 unacceptable_atom Hg M078869 unacceptable_atom Zr M078880 MW < 50.0 M078912 unacceptable_atom W M078929 unacceptable_atom Sb M078932 unacceptable_atom Zr M079006 MW < 50.0 M079025 unacceptable_atom Ge M079037 validation_error Explicit valence for atom # 1 Si, 8, is greater than permitted M079083 unacceptable_atom Dy M079113 unacceptable_atom Ta M079161 sss > 0 M079166 unacceptable_atom V M079216 no_acceptable_nonsalt_component M079227 validation_error Explicit valence for atom # 3 Si, 8, is greater than permitted M079238 unacceptable_atom Ag M079245 unacceptable_atom Pd M079312 unacceptable_atom As M079340 unacceptable_atom Rb M079344 ps > 0 M070823 unacceptable_atom Al M070830 unacceptable_atom Ge M070934 MW < 50.0 M070972 no_acceptable_nonsalt_component M071163 unacceptable_atom Hg M071185 MW < 50.0 M071261 unacceptable_atom Hg M071363 unacceptable_atom Hg M071456 MW < 50.0 M071547 unacceptable_atom As M071560 MW > 999.0 M099216 MW > 999.0 M099240 MW > 999.0 M099281 MW > 999.0 M099324 MW > 999.0 M099355 MW > 999.0 M099406 unacceptable_atom Mo M099413 MW > 999.0 M099416 unacceptable_atom Bi M099425 MW > 999.0 M099437 ps > 0 M099455 MW > 999.0 M099523 MW > 999.0 M099525 MW > 999.0 M099563 MW > 999.0 M099575 MW > 999.0 M099578 MW > 999.0 M099606 MW > 999.0 M099618 MW > 999.0 M099645 unacceptable_atom Se M099656 unacceptable_atom Zr M099666 MW > 999.0 M099737 MW > 999.0 M099772 MW > 999.0 M099843 MW > 999.0 M099858 MW > 999.0 M099870 MW > 999.0 M099922 MW > 999.0 M099944 MW > 999.0 M099949 unacceptable_atom Hg M065512 no_acceptable_nonsalt_component M065517 unacceptable_atom As M065520 unacceptable_atom Cr,Sb M065525 MW > 999.0 M065546 MW < 50.0 M065547 unacceptable_atom Ge M065562 unacceptable_atom Ge M065563 non-hydrogen_atoms < 4 M065577 unacceptable_atom Ni M065585 unacceptable_atom Cu M065586 ps > 0 M065589 MW < 50.0 M065590 MW < 50.0 M065594 unacceptable_atom In M065631 unacceptable_atom Re M065641 unacceptable_atom As M065644 unacceptable_atom Ga M065646 no_acceptable_nonsalt_component M065656 non-hydrogen_atoms < 4 M065660 unacceptable_atom Tb M065673 unacceptable_atom Mg M065675 MW < 50.0 M065684 MW < 50.0 M065691 unacceptable_atom V M065716 MW > 999.0 M065719 unacceptable_atom Mn M065720 unacceptable_atom Zr M065721 unacceptable_atom Fe M065737 unacceptable_atom As M065750 non-hydrogen_atoms < 4 M065758 unacceptable_atom Ge M065770 unacceptable_atom In M065789 unacceptable_atom Sb M065805 ps > 0 M065822 MW < 50.0 M065829 MW < 50.0 M065842 ps > 0 M065853 unacceptable_atom Ir M065856 MW < 50.0 M065874 ps > 0 M065907 unacceptable_atom Mo M065923 unacceptable_atom Co M065935 unacceptable_atom Nb M065937 MW < 50.0 M065949 ps > 0 M065976 unacceptable_atom Te,Li M065979 unacceptable_atom Se,Ta M065985 unacceptable_atom As,Fe M065986 unacceptable_atom Co M065988 unacceptable_atom Np M065994 unacceptable_atom Al M066013 MW > 999.0 M066022 unacceptable_atom Nb,Pb M066023 unacceptable_atom Se M066029 MW < 50.0 M066035 unacceptable_atom As,Fe M066039 unacceptable_atom Pd M066040 unacceptable_atom As,Zn M066046 unacceptable_atom Lu M066053 non-hydrogen_atoms < 4 M066063 unacceptable_atom In M066072 unacceptable_atom Ag M066074 no_acceptable_nonsalt_component M066075 non-hydrogen_atoms < 4 M066089 unacceptable_atom Ga M066094 unacceptable_atom Ce M066097 unacceptable_atom Ge M066098 unacceptable_atom Pt M066121 MW < 50.0 M066129 unacceptable_atom Hg M066155 unacceptable_atom Zn M066177 MW < 50.0 M066181 unacceptable_atom Al M066206 unacceptable_atom W M066222 MW < 50.0 M066228 unacceptable_atom Se M066237 unacceptable_atom Mn M066258 unacceptable_atom Nb M066259 unacceptable_atom Sc M066260 unacceptable_atom Zr M066270 unacceptable_atom Al M066281 unacceptable_atom Al M066287 unacceptable_atom Fe M103827 MW > 999.0 M103848 MW > 999.0 M103955 MW > 999.0 M103996 MW > 999.0 M104033 MW > 999.0 M104059 MW > 999.0 M104070 MW > 999.0 P000348 MW > 999.0 M104093 MW > 999.0 M104105 MW > 999.0 M104135 MW > 999.0 M104239 MW > 999.0 M104245 MW > 999.0 M104313 MW > 999.0 M104398 MW > 999.0 M104413 MW > 999.0 M104501 MW > 999.0 M104503 MW > 999.0 M104561 MW > 999.0 M099965 MW > 999.0 M099991 unacceptable_atom Al M100027 MW > 999.0 M100057 MW > 999.0 M100068 MW > 999.0 M100074 MW > 999.0 M100101 MW > 999.0 M100110 MW > 999.0 M100125 MW > 999.0 M100209 MW > 999.0 M100225 MW > 999.0 M100339 MW > 999.0 M100349 MW > 999.0 M100355 MW > 999.0 M100359 MW > 999.0 M100383 unacceptable_atom As M100396 MW > 999.0 M100402 MW > 999.0 M100406 ps > 0 M100424 MW > 999.0 M100425 MW > 999.0 M100426 MW > 999.0 M100514 MW > 999.0 M100564 MW > 999.0 M100591 MW > 999.0 M100620 MW > 999.0 M100631 MW > 999.0 M100709 MW > 999.0 M100734 MW > 999.0 M068037 unacceptable_atom Hg M068122 unacceptable_atom Fe M068162 ps > 0 M068197 no_acceptable_nonsalt_component M068225 sss > 0 M068296 unacceptable_atom As M068308 MW > 999.0 M068366 ps > 0 M068396 unacceptable_atom Hg M068411 ps > 0 M068418 ps > 0 M068645 non-hydrogen_atoms < 4 M068753 MW > 999.0 M068813 MW > 999.0 M068851 unacceptable_atom Se M068904 unacceptable_atom As M107603 unacceptable_atom Al M107670 MW > 999.0 M107681 MW > 999.0 M107710 MW > 999.0 M107723 MW > 999.0 M107725 MW > 999.0 M107750 MW > 999.0 M107754 MW > 999.0 M107755 MW > 999.0 M107776 MW > 999.0 M107784 MW > 999.0 M107823 MW > 999.0 M107841 MW > 999.0 M107855 MW > 999.0 M107871 MW > 999.0 M107901 unacceptable_atom Bi M108005 unacceptable_atom Ti M108021 MW > 999.0 M108043 MW > 999.0 M108067 MW > 999.0 M108071 MW > 999.0 M108078 unacceptable_atom Se M108170 unacceptable_atom Ni M075558 unacceptable_atom Se M075563 unacceptable_atom Cr M075577 unacceptable_atom Re M075683 validation_error Explicit valence for atom # 1 Si, 8, is greater than permitted M075717 unacceptable_atom Ge M075721 unacceptable_atom Hf M075762 no_acceptable_nonsalt_component M075773 unacceptable_atom Sb M075774 unacceptable_atom Ag M075796 unacceptable_atom Ir M075797 unacceptable_atom Se M075805 ps > 0 M075816 unacceptable_atom Cr M075923 ps > 0 M075931 MW < 50.0 M075963 non-hydrogen_atoms < 4 M076002 unacceptable_atom Sb M076006 MW > 999.0 M076007 non-hydrogen_atoms < 4 M076034 unacceptable_atom Hg M076054 unacceptable_atom Co M076079 unacceptable_atom As M116343 MW > 999.0 M116357 MW > 999.0 M116414 MW > 999.0 M116560 MW > 999.0 M116580 MW > 999.0 M116585 MW > 999.0 M116633 MW > 999.0 M116669 MW > 999.0 M116745 unacceptable_atom Se M116754 MW > 999.0 M116779 MW > 999.0 M116812 unacceptable_atom Mo M116829 MW > 999.0 M116884 MW > 999.0 M116948 MW > 999.0 M117074 MW > 999.0 M108972 MW > 999.0 M109004 unacceptable_atom Pt M109062 MW > 999.0 M109075 MW > 999.0 M109090 MW > 999.0 M109148 no_acceptable_nonsalt_component M109150 MW > 999.0 M109195 MW > 999.0 M109241 MW > 999.0 M109264 MW > 999.0 M109265 MW > 999.0 M109305 MW > 999.0 M109409 MW > 999.0 M109489 MW > 999.0 M109505 unacceptable_atom Sb M109611 MW > 999.0 M109614 MW > 999.0 M109620 MW > 999.0 M109621 MW > 999.0 M109630 MW > 999.0 M109657 MW > 999.0 M109664 MW > 999.0 M120735 non-hydrogen_atoms < 4 M120748 unacceptable_atom Eu M120757 MW < 50.0 M120767 unacceptable_atom Fe M120769 unacceptable_atom W M120779 unacceptable_atom Cu M120807 unacceptable_atom Al M120810 unacceptable_atom Nd M120813 no_acceptable_nonsalt_component M120841 MW > 999.0 M120869 unacceptable_atom Ge M120897 unacceptable_atom Hg M120907 unacceptable_atom Mn M120927 unacceptable_atom Ge M120950 ps > 0 M120954 unacceptable_atom Sb M120963 unacceptable_atom Rh M120964 ps > 0 M120997 ps > 0 M121019 unacceptable_atom As M121135 unacceptable_atom Se M121176 unacceptable_atom Os M121188 unacceptable_atom Pd M121192 unacceptable_atom Hg M121194 unacceptable_atom Al M121207 unacceptable_atom Te M121227 unacceptable_atom Pb M121229 MW < 50.0 M121243 unacceptable_atom Bi M121269 ps > 0 M121386 no_acceptable_nonsalt_component M121396 unacceptable_atom Al M121412 unacceptable_atom Tm M009317 MW > 999.0 M009351 MW > 999.0 M009377 MW > 999.0 M009389 MW > 999.0 M009430 MW > 999.0 M009525 MW > 999.0 M009530 unacceptable_atom Ge M009592 ps > 0 M009643 MW > 999.0 M009655 MW > 999.0 M009670 MW > 999.0 M009679 unacceptable_atom Te M009714 MW > 999.0 M009736 MW > 999.0 M009772 MW > 999.0 M009778 MW > 999.0 M009851 MW > 999.0 M009882 validation_error Explicit valence for atom # 7 Si, 8, is greater than permitted M009976 ps > 0 M009994 non-hydrogen_atoms < 4 M010000 MW > 999.0 R059680 ps > 0 R059746 unacceptable_atom As R059797 ps > 0 R059855 unacceptable_atom Rh R059871 sss > 0 R050180 validation_error Explicit valence for atom # 20 Cl, 2, is greater than permitted R050327 MW > 999.0 R050568 unacceptable_atom As R050609 unacceptable_atom Se M005298 MW > 999.0 M005303 MW > 999.0 M005304 unacceptable_atom Fe M005482 MW > 999.0 M005626 MW > 999.0 M005736 ps > 0 M005780 ps > 0 M005822 MW > 999.0 I014082 MW > 999.0 I014083 MW > 999.0 I014084 MW > 999.0 I014085 MW > 999.0 I014086 MW > 999.0 I014087 MW > 999.0 I014092 MW > 999.0 I014093 MW > 999.0 I014131 unacceptable_atom As I014143 MW > 999.0 I014147 MW > 999.0 I014186 MW > 999.0 I014187 MW > 999.0 I014211 validation_error Explicit valence for atom # 49 N, 5, is greater than permitted I014232 MW > 999.0 I014242 MW > 999.0 I014277 isotopes2h > 0 Line #251 Failed to load mol I014341 unacceptable_atom Hg I014346 isotopes2h > 0 I014347 isotopes2h > 0 I014447 isotopes13c > 0 I014454 isotopes13c > 0 I014466 isotopes2h > 0 I014513 MW > 999.0 I014514 MW > 999.0 R061134 ps > 0 R061198 MW < 50.0 R061535 MW > 999.0 R061718 ps > 0 R061766 unacceptable_atom Mn R061773 ps > 0 R061894 non-hydrogen_atoms < 4 R061943 unacceptable_atom Cu M018915 MW > 999.0 M018919 MW > 999.0 M018930 MW > 999.0 M018942 MW < 50.0 M018957 non-hydrogen_atoms < 4 M018968 MW > 999.0 M018976 MW > 999.0 M019045 MW > 999.0 M019069 MW > 999.0 M019153 MW > 999.0 M019195 MW > 999.0 M019319 MW > 999.0 M019351 MW > 999.0 M019467 MW > 999.0 M019473 MW > 999.0 M019478 MW > 999.0 M019527 MW > 999.0 M133586 MW > 999.0 M133706 MW > 999.0 M133717 MW > 999.0 M133778 MW > 999.0 M133798 unacceptable_atom Sb M133975 MW > 999.0 M134157 MW > 999.0 M134178 MW > 999.0 M345488 ps > 0 M129228 MW > 999.0 M129285 MW > 999.0 M129609 unacceptable_atom Se M129657 MW > 999.0 M129683 MW > 999.0 M129692 MW > 999.0 M129723 MW < 50.0 M041680 MW > 999.0 M041704 unacceptable_atom Al M041739 MW > 999.0 M041799 ps > 0 M041966 MW > 999.0 M042004 MW > 999.0 M042049 MW > 999.0 M042078 MW > 999.0 M042092 MW > 999.0 M042121 MW > 999.0 M042183 unacceptable_atom Al M087690 MW < 50.0 M087692 unacceptable_atom Lu M087756 unacceptable_atom Ru M087764 unacceptable_atom Pt M087818 ps > 0 M087829 unacceptable_atom Zr M087849 unacceptable_atom Hg M087853 MW < 50.0 M087856 unacceptable_atom Cu M087859 unacceptable_atom Pr M087867 sss > 0 M087870 unacceptable_atom In M087879 unacceptable_atom Ti M087908 unacceptable_atom Fe M087910 unacceptable_atom Cu M087941 validation_error Explicit valence for atom # 1 Si, 8, is greater than permitted M088018 unacceptable_atom As M088115 MW > 999.0 M088132 unacceptable_atom Se M088133 no_acceptable_nonsalt_component M088134 unacceptable_atom Os M088166 pp > 0 M088177 unacceptable_atom Se M088183 unacceptable_atom As M088191 MW < 50.0 M088200 unacceptable_atom Mn M088214 MW < 50.0 M088220 unacceptable_atom Se M088261 ps > 0 M088263 MW < 50.0 M088279 MW > 999.0 M088326 ps > 0 R010347 MW > 999.0 R010401 ps > 0 R010446 MW > 999.0 R010677 ps > 0 R010915 ps > 0 M046025 MW > 999.0 M046065 MW > 999.0 M046156 MW > 999.0 M046176 MW > 999.0 M046256 MW > 999.0 M083845 sss > 0 M083862 unacceptable_atom Sb M083871 unacceptable_atom Sb M083905 non-hydrogen_atoms < 4 M083914 unacceptable_atom Tb M083938 validation_error Explicit valence for atom # 20 Sn, 6, is greater than permitted M084003 unacceptable_atom Pd M084005 ps > 0 M084013 unacceptable_atom Fe M084015 ps > 0 M084071 unacceptable_atom Fe M084089 ps > 0 M084126 unacceptable_atom Te M084133 MW < 50.0 M084140 ps > 0 M084171 unacceptable_atom Hg M084229 unacceptable_atom Yb M084290 unacceptable_atom Zr M084308 unacceptable_atom As M084314 unacceptable_atom Sr M084322 unacceptable_atom Ti M084335 unacceptable_atom Gd M084346 MW < 50.0 M084379 unacceptable_atom Hg M084417 unacceptable_atom La M091733 MW > 999.0 M091852 MW > 999.0 M091927 MW > 999.0 M092023 MW > 999.0 M092039 MW > 999.0 M092165 MW > 999.0 M092178 MW > 999.0 M092188 MW > 999.0 M092298 unacceptable_atom Se M092363 MW > 999.0 M092388 MW > 999.0 M092390 MW > 999.0 R020344 unacceptable_atom Zn R020621 ps > 0 R020644 unacceptable_atom Hg R020843 unacceptable_atom Cu R020936 unacceptable_atom Ce R020940 unacceptable_atom Bi R021069 unacceptable_atom Pb M096215 MW > 999.0 M096219 MW > 999.0 M096261 MW > 999.0 M096294 MW > 999.0 M096395 MW > 999.0 M096421 MW > 999.0 M096451 MW > 999.0 M096498 MW > 999.0 M096532 MW > 999.0 M096553 MW > 999.0 M096630 unacceptable_atom Se M096644 MW > 999.0 M096649 MW > 999.0 M096654 MW > 999.0 M096661 unacceptable_atom Al M096768 MW > 999.0 M096909 MW > 999.0 M057983 unacceptable_atom Pt M057988 unacceptable_atom Se M058011 no_acceptable_nonsalt_component M058015 MW < 50.0 M058016 MW < 50.0 M058023 unacceptable_atom Fe,Te M058028 MW > 999.0 M058034 unacceptable_atom Re M058039 unacceptable_atom Ni M058044 ps > 0 M058046 unacceptable_atom Se M058047 unacceptable_atom As M058049 unacceptable_atom Cr M058059 unacceptable_atom Zr M058065 MW < 50.0 M058069 unacceptable_atom V M058073 MW < 50.0 M058083 unacceptable_atom V M058094 unacceptable_atom Dy M058109 unacceptable_atom Ti M058111 unacceptable_atom Al M058140 unacceptable_atom Ti,Te M058144 unacceptable_atom Ta M058146 unacceptable_atom Te M058154 unacceptable_atom Pa M058158 no_acceptable_nonsalt_component M058160 unacceptable_atom Yb M058175 MW < 50.0 M058178 MW < 50.0 M058179 unacceptable_atom Se M058182 unacceptable_atom Cu,Te M058184 MW < 50.0 M058194 unacceptable_atom Mn M058195 unacceptable_atom W M058208 MW < 50.0 M058215 unacceptable_atom Cr M058224 MW < 50.0 M058230 unacceptable_atom Bi M058239 unacceptable_atom Pt M058254 unacceptable_atom Zr M058260 no_acceptable_nonsalt_component M058269 MW < 50.0 M058271 unacceptable_atom Al M058302 ps > 0 M058328 MW > 999.0 M058335 unacceptable_atom Al M058356 MW < 50.0 M058359 unacceptable_atom Ge M058401 unacceptable_atom Fe M058406 unacceptable_atom Yb M058412 unacceptable_atom Ru M058414 unacceptable_atom Ce M058419 unacceptable_atom Cr M058426 unacceptable_atom Al M058431 unacceptable_atom Nb,Ge M058432 unacceptable_atom Sc M058447 unacceptable_atom W M058453 MW > 999.0 M058461 MW < 50.0 M058472 MW > 999.0 M058496 ps > 0 M058500 MW > 999.0 M058508 ps > 0 M058523 unacceptable_atom Nd M058527 unacceptable_atom Cr M058535 unacceptable_atom Yb M058540 unacceptable_atom V M058546 unacceptable_atom Se,Nb M058551 unacceptable_atom Ce M058559 unacceptable_atom Zr M058560 unacceptable_atom As M058577 unacceptable_atom Ba M058579 ps > 0 M058582 unacceptable_atom Ti M058589 MW < 50.0 M058594 unacceptable_atom Mn M058612 unacceptable_atom Er M058617 ps > 0 M058626 MW < 50.0 M058631 unacceptable_atom Sm M058634 unacceptable_atom Ge M058638 MW > 999.0 M058643 MW < 50.0 M058668 unacceptable_atom As M058674 unacceptable_atom Mn M058676 unacceptable_atom Ta M058678 MW > 999.0 M058680 unacceptable_atom Tm M058682 MW < 50.0 M058687 no_acceptable_nonsalt_component M058710 unacceptable_atom Mo M058718 unacceptable_atom As M058721 unacceptable_atom W Line #425 Failed to load mol R012651 unacceptable_atom Se R012686 MW > 999.0 R025568 unacceptable_atom As R025615 MW < 50.0 R025750 non-hydrogen_atoms < 4 R025779 MW < 50.0 R025866 no_acceptable_nonsalt_component R025943 unacceptable_atom Ru R025969 MW < 50.0 R026004 ps > 0 R026039 unacceptable_atom Zn R026045 non-hydrogen_atoms < 4 R026082 no_acceptable_nonsalt_component R026168 non-hydrogen_atoms < 4 R026173 ps > 0 R026241 no_acceptable_nonsalt_component R026359 unacceptable_atom Pd M022492 sss > 0 M022541 MW > 999.0 M022588 MW > 999.0 M022640 MW > 999.0 M022650 MW > 999.0 M022686 MW > 999.0 M022697 MW > 999.0 M022700 MW > 999.0 M022734 MW > 999.0 M022736 MW > 999.0 M022744 MW > 999.0 M022796 MW > 999.0 M022804 MW > 999.0 M022813 unacceptable_atom Bi M022876 MW > 999.0 M022914 MW > 999.0 M022920 MW > 999.0 M022922 no_acceptable_nonsalt_component M022944 MW > 999.0 M022989 MW > 999.0 M023010 unacceptable_atom Ge M023011 MW > 999.0 M023095 MW > 999.0 M023101 MW > 999.0 M023118 MW > 999.0 I003142 MW > 999.0 I003284 MW > 999.0 I003447 MW > 999.0 I003511 MW > 999.0 Line #190 Failed to load mol Line #192 Failed to load mol Line #193 Failed to load mol I003582 MW > 999.0 Line #214 Failed to load mol I003904 ps > 0 I004179 MW > 999.0 I004298 unacceptable_atom Se Line #374 Failed to load mol I004353 MW > 999.0 I004434 MW > 999.0 I004762 MW > 999.0 I004859 MW > 999.0 R011230 validation_error Explicit valence for atom # 27 N, 4, is greater than permitted R012058 isotopes2h > 0 R013611 isotopes2h > 0 R013761 isotopes2h > 0 R016933 isotopes2h > 0 R017590 isotopes2h > 0 R018742 isotopes2h > 0 R019005 ps > 0 R019335 isotopes2h > 0 R019893 isotopes2h > 0 R019894 isotopes2h > 0 R019971 isotopes2h > 0 R024444 validation_error Explicit valence for atom # 24 N, 4, is greater than permitted R024946 isotopes2h > 0 R025282 isotopes2h > 0 R025386 isotopes2h > 0 R027014 isotopes2h > 0 R027367 isotopes2h > 0 R027478 MW > 999.0 R027496 isotopes2h > 0 R027655 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted R028834 ps > 0 R028858 validation_error Explicit valence for atom # 23 N, 4, is greater than permitted R029489 validation_error Explicit valence for atom # 35 N, 4, is greater than permitted R029586 isotopes2h > 0 R029923 isotopes2h > 0 R029995 isotopes2h > 0 R030078 isotopes2h > 0 R030138 isotopes2h > 0 R030156 isotopes2h > 0 R030401 isotopes2h > 0 R030579 isotopes2h > 0 R032534 MW > 999.0 R032967 ps > 0 R033229 isotopes2h > 0 R034369 ps > 0 R034849 isotopes2h > 0 R035429 isotopes2h > 0 R036693 MW > 999.0 R037081 MW > 999.0 R037101 validation_error Explicit valence for atom # 26 N, 4, is greater than permitted R039780 isotopes2h > 0 R040881 MW > 999.0 R040927 isotopes2h > 0 R040966 isotopes2h > 0 R042380 validation_error Explicit valence for atom # 28 N, 4, is greater than permitted R046135 isotopes2h > 0 R046417 isotopes2h > 0 R046467 isotopes2h > 0 R046594 isotopes2h > 0 R046632 isotopes2h > 0 R046662 isotopes2h > 0 R047126 isotopes2h > 0 R047186 isotopes2h > 0 R047378 isotopes2h > 0 R047388 isotopes2h > 0 R047437 isotopes2h > 0 Line #430 Failed to load mol R047593 isotopes2h > 0 R048395 isotopes2h > 0 R048423 isotopes2h > 0 R048601 isotopes2h > 0 R048606 isotopes2h > 0 R048647 isotopes2h > 0 R048747 isotopes2h > 0 R049017 isotopes2h > 0 R049018 isotopes2h > 0 R049047 isotopes2h > 0 R049072 isotopes2h > 0 R049073 isotopes2h > 0 R049113 isotopes2h > 0 Line #461 Failed to load mol R049215 isotopes2h > 0 R049234 isotopes2h > 0 R049235 isotopes2h > 0 R049625 isotopes2h > 0 Line #483 Failed to load mol M029819 MW > 999.0 M029840 MW > 999.0 M029868 MW > 999.0 M029952 unacceptable_atom Se M030074 MW > 999.0 M030097 MW > 999.0 M030175 MW > 999.0 M030207 MW > 999.0 M030291 MW > 999.0 M030335 MW > 999.0 M030336 MW > 999.0 M030456 unacceptable_atom Lu R032133 unacceptable_atom Ba R032173 non-hydrogen_atoms < 4 R032400 MW > 999.0 R032474 unacceptable_atom Se R032988 ps > 0 R033237 MW > 999.0 I009599 unacceptable_atom Sb I009626 unacceptable_atom Zn,K Line #41 Failed to load mol I009688 MW > 999.0 I009694 unacceptable_atom Na Line #109 Failed to load mol I009751 MW > 999.0 I009752 MW > 999.0 I009941 MW > 999.0 Line #269 Failed to load mol I009978 MW > 999.0 I009998 MW > 999.0 I010087 validation_error Explicit valence for atom # 32 S, 7, is greater than permitted I010105 MW > 999.0 I010120 unacceptable_atom K M000067 ps > 0 M000073 MW > 999.0 M000077 MW < 50.0 Line #455 Failed to load mol M138729 MW > 999.0 M138747 unacceptable_atom Ag M138822 unacceptable_atom Se M138878 MW > 999.0 M138905 MW > 999.0 M139148 MW > 999.0 M139199 MW > 999.0 M139282 MW < 50.0 M139350 MW > 999.0 R011088 MW > 999.0 R043575 MW > 999.0 R043648 no_acceptable_nonsalt_component R043871 MW > 999.0 R043880 unacceptable_atom W R044011 unacceptable_atom Fe R044079 no_acceptable_nonsalt_component R044219 MW > 999.0 I011842 MW > 999.0 M036329 MW > 999.0 M036405 no_acceptable_nonsalt_component M036515 MW > 999.0 M036833 MW > 999.0 M036882 unacceptable_atom Se M036883 MW > 999.0 M036884 MW > 999.0 M036899 MW > 999.0 M036913 MW > 999.0 I011141 no_acceptable_nonsalt_component I011230 ps > 0 I011379 unacceptable_atom Ru I011386 MW > 999.0 I011392 MW > 999.0 R000100 MW > 999.0 R000159 MW > 999.0 M023294 MW > 999.0 M023644 unacceptable_atom Fe Line #454 Failed to load mol M135694 MW > 999.0 M135872 MW > 999.0 M136014 MW > 999.0 M136074 MW > 999.0 M136179 MW > 999.0 M136196 MW > 999.0 M136352 unacceptable_atom Se M136373 MW > 999.0 M136389 MW < 50.0 M136412 unacceptable_atom Hg M032857 MW > 999.0 M032927 MW > 999.0 M032928 MW > 999.0 M032936 MW > 999.0 M032937 MW > 999.0 M032971 MW > 999.0 R027395 MW > 999.0 R027428 MW > 999.0 R027779 MW < 50.0 R027875 no_acceptable_nonsalt_component R027916 MW > 999.0 R028199 MW > 999.0 R028227 unacceptable_atom Cr R028295 non-hydrogen_atoms < 4 M143338 MW > 999.0 R067120 isotopes2h > 0 R067121 isotopes2h > 0 R067122 isotopes2h > 0 R067123 isotopes2h > 0 R067124 isotopes2h > 0 R067126 isotopes2h > 0 R067131 isotopes2h > 0 R067148 isotopes2h > 0 R067153 isotopes2h > 0 R067167 isotopes13c > 0 R067168 isotopes2h > 0 R067176 isotopes2h > 0 R067178 isotopes2h > 0 R067181 isotopes2h > 0 R067188 isotopes2h > 0 R067190 isotopes2h > 0 R067202 isotopes2h > 0 R067206 isotopes2h > 0 R067207 isotopes2h > 0 R067208 isotopes2h > 0 R067209 isotopes2h > 0 R067212 isotopes2h > 0 R067213 isotopes2h > 0 R067214 isotopes2h > 0 R067215 isotopes2h > 0 R067216 isotopes2h > 0 R067218 isotopes2h > 0 R067219 isotopes2h > 0 R067241 isotopes2h > 0 R067242 isotopes2h > 0 R067248 isotopes2h > 0 R067249 isotopes2h > 0 R067250 isotopes2h > 0 R067268 validation_error Explicit valence for atom # 27 N, 4, is greater than permitted R067269 validation_error Explicit valence for atom # 28 N, 4, is greater than permitted R067293 isotopes2h > 0 R067331 MW > 999.0 R067337 MW > 999.0 R067367 validation_error Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6 R067379 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted R067387 isotopes2h > 0 R067388 isotopes2h > 0 Line #222 Failed to load mol R067390 isotopes2h > 0 R067395 validation_error Explicit valence for atom # 33 N, 4, is greater than permitted R067400 isotopes2h > 0 R067401 MW > 999.0 R067403 isotopes2h > 0 Line #237 Failed to load mol R067407 isotopes2h > 0 R067408 isotopes2h > 0 R067409 isotopes2h > 0 R067410 isotopes2h > 0 R067413 isotopes2h > 0 R067415 isotopes2h > 0 R067416 MW > 999.0 R067417 MW > 999.0 R067422 isotopes2h > 0 R067436 MW > 999.0 R067447 isotopes2h > 0 R067448 isotopes2h > 0 R067450 isotopes2h > 0 R067451 MW > 999.0 R067452 isotopes2h > 0 R067549 isotopes2h > 0 R067550 isotopes2h > 0 R067551 isotopes2h > 0 R067592 isotopes2h > 0 R067596 isotopes2h > 0 R067598 isotopes2h > 0 R067609 isotopes2h > 0 R067614 isotopes2h > 0 R067631 MW > 999.0 R067648 isotopes2h > 0 R067657 isotopes2h > 0 R067658 isotopes2h > 0 R067662 isotopes2h > 0 R067674 isotopes2h > 0 R067681 isotopes2h > 0 R067689 isotopes2h > 0 R067690 isotopes2h > 0 R067698 isotopes2h > 0 R067721 isotopes2h > 0 R067722 isotopes2h > 0 R021996 no_acceptable_nonsalt_component R022063 unacceptable_atom Al R022103 unacceptable_atom Ru R022158 no_acceptable_nonsalt_component R022221 MW < 50.0 R022254 unacceptable_atom Se R022314 MW > 999.0 R022344 non-hydrogen_atoms < 4 R022368 MW > 999.0 R022392 MW > 999.0 R022396 MW > 999.0 R022531 unacceptable_atom Cu R022561 MW < 50.0 R022569 unacceptable_atom Zn R022570 unacceptable_atom Zn R022593 unacceptable_atom As R022600 ps > 0 R022603 ps > 0 R022614 ps > 0 M025400 MW > 999.0 M025455 MW > 999.0 M025502 MW > 999.0 M025525 MW > 999.0 M025538 unacceptable_atom Al M025557 MW > 999.0 M025579 unacceptable_atom Zn M025609 MW > 999.0 M025622 MW > 999.0 P000414 MW > 999.0 M025657 MW > 999.0 M025679 sss > 0 M025722 MW > 999.0 M025756 MW > 999.0 M025778 unacceptable_atom Cu M025782 MW > 999.0 M025845 unacceptable_atom Se M025888 MW > 999.0 M025921 no_acceptable_nonsalt_component M025922 MW > 999.0 M025928 MW > 999.0 M025931 MW > 999.0 M025933 MW > 999.0 M026027 MW > 999.0 M026034 MW > 999.0 M330210 MW > 999.0 R041810 MW > 999.0 R041812 MW > 999.0 R041813 MW > 999.0 R041816 MW > 999.0 R041820 MW > 999.0 R041821 MW > 999.0 R041823 MW > 999.0 R041824 MW > 999.0 R041826 MW > 999.0 R041856 unacceptable_atom As R041992 ps > 0 R042002 ps > 0 R042004 ps > 0 R042007 ps > 0 R042114 ps > 0 R042193 non-hydrogen_atoms < 4 R042207 unacceptable_atom Gd M033808 MW > 999.0 M034037 MW > 999.0 M034143 MW > 999.0 Line #13 Failed to load mol Line #68 Failed to load mol Line #82 Failed to load mol I012307 unacceptable_atom Se Line #91 Failed to load mol Line #98 Failed to load mol Line #100 Failed to load mol Line #103 Failed to load mol Line #115 Failed to load mol I012348 unacceptable_atom Sb Line #125 Failed to load mol Line #128 Failed to load mol Line #129 Failed to load mol Line #148 Failed to load mol Line #150 Failed to load mol Line #151 Failed to load mol Line #164 Failed to load mol Line #221 Failed to load mol Line #244 Failed to load mol Line #245 Failed to load mol Line #266 Failed to load mol Line #274 Failed to load mol Line #276 Failed to load mol Line #300 Failed to load mol Line #362 Failed to load mol Line #371 Failed to load mol Line #375 Failed to load mol Line #405 Failed to load mol Line #414 Failed to load mol Line #415 Failed to load mol Line #419 Failed to load mol Line #421 Failed to load mol Line #445 Failed to load mol Line #450 Failed to load mol Line #461 Failed to load mol Line #466 Failed to load mol Line #480 Failed to load mol Line #482 Failed to load mol Line #489 Failed to load mol Line #9 Failed to load mol I002740 MW > 999.0 Line #161 Failed to load mol I003930 MW > 999.0 I004065 ps > 0 Line #341 Failed to load mol I004232 validation_error Explicit valence for atom # 32 Cl, 2, is greater than permitted I004334 MW > 999.0 Line #462 Failed to load mol M081374 unacceptable_atom Zr M081403 unacceptable_atom Se M081419 unacceptable_atom Ru M081431 unacceptable_atom Sr M081468 unacceptable_atom Gd M081491 unacceptable_atom Pt M081525 unacceptable_atom Al M081529 unacceptable_atom Ir M081533 unacceptable_atom Hg M081535 ps > 0 M081610 unacceptable_atom Os M081627 non-hydrogen_atoms < 4 M081652 validation_error Explicit valence for atom # 1 Si, 8, is greater than permitted M081674 unacceptable_atom Se M081734 unacceptable_atom Te M081757 unacceptable_atom Pb M081783 MW < 50.0 M081810 ps > 0 M081859 unacceptable_atom Sc M081881 MW < 50.0 R006725 ps > 0 R006771 ps > 0 R006773 ps > 0 R006893 ps > 0 M048613 unacceptable_atom Co M048632 unacceptable_atom Co M048637 unacceptable_atom Re M048663 MW < 50.0 M048664 ps > 0 M048669 unacceptable_atom Se,Cd M048675 unacceptable_atom Pb M048754 unacceptable_atom W M048769 non-hydrogen_atoms < 4 M048820 unacceptable_atom Tl M048838 unacceptable_atom Ge M048890 unacceptable_atom Se,Ba M048898 unacceptable_atom Se M048910 unacceptable_atom Nb M048966 unacceptable_atom Zr M048982 unacceptable_atom Se M049006 unacceptable_atom Mg M049018 MW < 50.0 M049019 unacceptable_atom Fe M049035 unacceptable_atom Pb M049047 MW < 50.0 M049058 unacceptable_atom Se M049069 unacceptable_atom Al M049085 non-hydrogen_atoms < 4 M049103 unacceptable_atom Al M049117 MW > 999.0 M049169 MW > 999.0 M049187 unacceptable_atom Cr M049224 unacceptable_atom Ge M049250 unacceptable_atom Ni,As M049271 ps > 0 M049277 ps > 0 M049294 unacceptable_atom Se M049320 unacceptable_atom Cr M049330 unacceptable_atom Ge M085182 unacceptable_atom Be M085268 unacceptable_atom Se M085350 MW > 999.0 M085361 ps > 0 M085398 unacceptable_atom Se M085506 ps > 0 M085508 MW > 999.0 M085549 MW < 50.0 M085565 unacceptable_atom Se M085569 unacceptable_atom Ti M085579 ps > 0 M085611 unacceptable_atom Sr M085660 unacceptable_atom Cu M085704 unacceptable_atom Rb M044348 unacceptable_atom Hg M044370 unacceptable_atom Al M044608 MW > 999.0 M044756 validation_error Explicit valence for atom # 8 Br, 3, is greater than permitted M044769 unacceptable_atom Se M044781 MW > 999.0 M053235 unacceptable_atom Te M053246 unacceptable_atom Cr M053249 unacceptable_atom Au M053258 no_acceptable_nonsalt_component M053266 unacceptable_atom Cs,Te M053291 unacceptable_atom Sb M053299 unacceptable_atom W M053301 unacceptable_atom Cu M053305 MW < 50.0 M053309 MW < 50.0 M053310 unacceptable_atom Se M053317 unacceptable_atom V M053323 MW < 50.0 M053332 MW < 50.0 M053335 no_acceptable_nonsalt_component M053359 unacceptable_atom Mn M053364 unacceptable_atom Yb,Se M053367 unacceptable_atom Yb M053369 unacceptable_atom Zr M053381 unacceptable_atom Ho M053385 unacceptable_atom Al M053387 MW < 50.0 M053402 MW < 50.0 M053413 no_acceptable_nonsalt_component M053430 unacceptable_atom Pd M053433 MW < 50.0 M053441 MW < 50.0 M053444 MW > 999.0 M053455 unacceptable_atom Nb M053460 unacceptable_atom Te,Be M053465 no_acceptable_nonsalt_component M053467 unacceptable_atom Se M053479 unacceptable_atom W M053480 MW > 999.0 M053485 unacceptable_atom Ti M053488 unacceptable_atom Pt M053492 unacceptable_atom Er M053500 non-hydrogen_atoms < 4 M053504 MW > 999.0 M053511 unacceptable_atom Mo M053518 unacceptable_atom Ga M053522 ps > 0 M053540 unacceptable_atom Re M053544 MW < 50.0 M053551 unacceptable_atom W M053590 unacceptable_atom Mn M053618 MW < 50.0 M053622 unacceptable_atom Ce M053624 unacceptable_atom Zr,Se M053653 MW > 999.0 M053654 MW < 50.0 M053655 unacceptable_atom Y M053657 unacceptable_atom Cu M053661 MW < 50.0 M053667 ps > 0 M053678 unacceptable_atom V M053682 unacceptable_atom Zr M053683 ps > 0 M053688 unacceptable_atom Pb M053697 unacceptable_atom Sm M053703 MW < 50.0 M053705 non-hydrogen_atoms < 4 M053709 ps > 0 M053716 unacceptable_atom Se M053718 unacceptable_atom Sb M053754 unacceptable_atom V M054317 unacceptable_atom Tc M054329 no_acceptable_nonsalt_component M054346 unacceptable_atom Al M054348 unacceptable_atom Ti M054351 MW < 50.0 M054352 unacceptable_atom Al M054361 unacceptable_atom Se M054367 MW < 50.0 M054373 MW < 50.0 M054385 unacceptable_atom Ta M054392 MW < 50.0 M054400 unacceptable_atom V M054405 unacceptable_atom Pr M054407 ps > 0 M054415 unacceptable_atom Ba M054435 MW > 999.0 M054436 unacceptable_atom Mo M054443 MW < 50.0 M054451 MW < 50.0 M054458 unacceptable_atom Ti M054464 unacceptable_atom Pr M054496 unacceptable_atom Ti M054504 MW < 50.0 M054505 unacceptable_atom V M054510 unacceptable_atom Au M054524 unacceptable_atom Ar M054532 unacceptable_atom Gd R015483 unacceptable_atom Bi R015496 ps > 0 R015614 unacceptable_atom Al R015712 unacceptable_atom Pd R015782 no_acceptable_nonsalt_component R015797 MW < 50.0 R015842 unacceptable_atom Ru R015986 unacceptable_atom Ru R016056 unacceptable_atom Te R016067 MW < 50.0 M059496 unacceptable_atom Fe M059512 MW < 50.0 M059515 unacceptable_atom Ta M059538 MW > 999.0 M059539 unacceptable_atom Ga M059542 unacceptable_atom Sc M059559 unacceptable_atom Mo M059562 unacceptable_atom Re M059582 unacceptable_atom Zr M059595 unacceptable_atom Mo M059598 MW < 50.0 M059605 sss > 0 M059618 MW > 999.0 M059624 unacceptable_atom Pd M059654 unacceptable_atom Sb M059680 unacceptable_atom U M059692 unacceptable_atom In M059706 unacceptable_atom Mn M059714 ps > 0 M059739 ps > 0 M059751 MW < 50.0 M059774 unacceptable_atom Re M059780 unacceptable_atom Te M059796 unacceptable_atom Cr M059798 unacceptable_atom W M059804 unacceptable_atom Se M059815 no_acceptable_nonsalt_component M059821 unacceptable_atom Sc M059859 unacceptable_atom Se,Hf M059864 unacceptable_atom Cu M059875 unacceptable_atom Zr M059876 unacceptable_atom As M059879 unacceptable_atom Nb M059884 ps > 0 M059887 MW < 50.0 M059894 unacceptable_atom V M059905 unacceptable_atom Au M059912 unacceptable_atom Cr M059919 unacceptable_atom Ge M059946 unacceptable_atom V M059951 unacceptable_atom W M059969 non-hydrogen_atoms < 4 M059982 MW > 999.0 M059989 non-hydrogen_atoms < 4 M060000 unacceptable_atom Ag M060012 unacceptable_atom Se M060014 unacceptable_atom Rh M060019 unacceptable_atom Ti M060025 unacceptable_atom Te,Yb M060032 ps > 0 M060038 MW > 999.0 M060039 unacceptable_atom Zr M060052 unacceptable_atom Am M060057 unacceptable_atom La M060061 unacceptable_atom Se M060085 unacceptable_atom V M060087 MW < 50.0 M060095 unacceptable_atom V M060127 MW < 50.0 M060140 unacceptable_atom Pr M060148 unacceptable_atom Sc M060181 unacceptable_atom Ge M060200 non-hydrogen_atoms < 4 M094668 MW > 999.0 M094705 MW > 999.0 M094710 MW > 999.0 M094724 ps > 0 P000351 MW > 999.0 M094769 MW > 999.0 M094820 MW > 999.0 M094842 MW > 999.0 M095043 ps > 0 M095111 MW > 999.0 M095124 MW > 999.0 M095187 MW > 999.0 M095250 MW > 999.0 M095252 MW > 999.0 M095253 MW > 999.0 M095299 MW > 999.0 M095363 MW > 999.0 M095381 unacceptable_atom Al M095425 MW > 999.0 R073939 non-hydrogen_atoms < 4 R046620 non-hydrogen_atoms < 4 R046681 ps > 0 R046799 MW > 999.0 R046821 MW > 999.0 R046838 ps > 0 R046839 ps > 0 R046840 ps > 0 R046841 ps > 0 R046842 ps > 0 M008103 unacceptable_atom Al M008131 MW > 999.0 M008151 MW > 999.0 M008174 MW > 999.0 M008196 unacceptable_atom Ge M008240 MW > 999.0 M008244 MW > 999.0 M008335 MW > 999.0 M008413 MW < 50.0 M008422 MW > 999.0 M008462 MW > 999.0 M008481 MW > 999.0 M008482 MW > 999.0 M122186 unacceptable_atom Eu M122255 unacceptable_atom Te M122257 unacceptable_atom Cd M122282 unacceptable_atom Hg M122312 unacceptable_atom Hg M122339 MW < 50.0 M122375 unacceptable_atom As M122397 unacceptable_atom Mn M122411 unacceptable_atom Co M122419 MW < 50.0 M122450 unacceptable_atom Ge M122464 unacceptable_atom As M122467 unacceptable_atom Se M122485 no_acceptable_nonsalt_component M122498 ps > 0 M122515 unacceptable_atom Se M122524 unacceptable_atom Eu M122540 non-hydrogen_atoms < 4 M122565 unacceptable_atom As M122579 unacceptable_atom Ho M122632 unacceptable_atom Ra M122644 ps > 0 M122695 unacceptable_atom Ni M122712 unacceptable_atom Fe M122721 unacceptable_atom Re M122723 unacceptable_atom Ir M122743 unacceptable_atom Sb M122756 unacceptable_atom Pr M122763 ps > 0 M122771 MW > 999.0 M122784 unacceptable_atom Ir M122785 ps > 0 M122791 unacceptable_atom Ni M122823 ps > 0 M122864 MW < 50.0 M122868 unacceptable_atom Sb M012218 unacceptable_atom Al M012450 MW > 999.0 M012465 MW > 999.0 M012486 MW > 999.0 M012570 MW > 999.0 M012631 MW > 999.0 M012656 MW > 999.0 M012752 MW > 999.0 M012797 MW > 999.0 R055459 MW > 999.0 R055945 MW > 999.0 R055947 MW > 999.0 R056118 ps > 0 R056257 MW > 999.0 M117872 unacceptable_atom Co M117885 unacceptable_atom Se M117990 MW > 999.0 M118013 MW > 999.0 M118022 MW > 999.0 M118061 MW > 999.0 M118089 MW > 999.0 M118098 MW > 999.0 M118109 MW > 999.0 M118152 MW > 999.0 M118158 MW > 999.0 M118277 MW > 999.0 M118287 MW > 999.0 M118302 MW > 999.0 M118316 unacceptable_atom Co M118323 unacceptable_atom Co M118378 MW > 999.0 M118446 unacceptable_atom Al M118547 MW > 999.0 M118613 unacceptable_atom Mo M132023 MW > 999.0 M132123 unacceptable_atom Se M132170 MW < 50.0 M132172 unacceptable_atom Al M132250 non-hydrogen_atoms < 4 M132293 ps > 0 M132489 MW > 999.0 M132547 MW > 999.0 M132558 MW > 999.0 M132603 MW > 999.0 M020353 MW > 999.0 M020501 MW > 999.0 M020560 sss > 0 M020594 MW > 999.0 M020610 MW > 999.0 M020612 MW > 999.0 M020678 MW > 999.0 M020707 MW > 999.0 M020711 MW > 999.0 M020738 MW > 999.0 M020804 MW > 999.0 M020809 MW > 999.0 M020811 MW > 999.0 M020815 MW > 999.0 M020857 MW < 50.0 M020869 MW > 999.0 M020900 MW > 999.0 M020911 MW > 999.0 M020963 MW > 999.0 M284915 unacceptable_atom Se M343580 ps > 0 M343659 ps > 0 M343703 ps > 0 M343834 ps > 0 M343836 ps > 0 M000564 MW > 999.0 M000634 MW < 50.0 M000649 MW > 999.0 M000697 non-hydrogen_atoms < 4 M000726 MW < 50.0 M000771 no_acceptable_nonsalt_component M000808 MW > 999.0 M000897 MW > 999.0 M000901 MW > 999.0 M000997 ps > 0 M001038 unacceptable_atom Ge M001120 MW > 999.0 M016072 MW > 999.0 M016080 unacceptable_atom Se M016114 MW > 999.0 M016164 MW > 999.0 M016181 MW > 999.0 M016195 MW > 999.0 M016232 ps > 0 M016246 no_acceptable_nonsalt_component M016272 MW > 999.0 M016374 MW > 999.0 M016382 MW > 999.0 M016398 ps > 0 M016416 MW > 999.0 M016486 MW > 999.0 M016534 MW > 999.0 M016548 unacceptable_atom Ir M016557 MW > 999.0 M016588 MW > 999.0 M016589 unacceptable_atom Cu M016613 MW > 999.0 M016617 MW > 999.0 M016663 MW > 999.0 M016701 unacceptable_atom Al M063251 unacceptable_atom Se M063281 unacceptable_atom Mo M063290 MW < 50.0 M063294 MW < 50.0 M063308 MW < 50.0 M063314 ps > 0 M063316 MW < 50.0 M063319 unacceptable_atom Pt M063323 unacceptable_atom U M063324 unacceptable_atom Se M063326 unacceptable_atom As M063336 unacceptable_atom Hg,Te M063366 unacceptable_atom Kr M063370 unacceptable_atom Rb M063376 unacceptable_atom Cu M063378 unacceptable_atom Cd M063387 non-hydrogen_atoms < 4 M063404 unacceptable_atom Ni M063411 unacceptable_atom Be,Se M063415 unacceptable_atom Pb M063428 unacceptable_atom Hg M063430 unacceptable_atom Zr M063444 unacceptable_atom Cu M063446 unacceptable_atom Ge M063448 unacceptable_atom W M063458 unacceptable_atom Re M063463 unacceptable_atom Sc M063464 unacceptable_atom Au M063467 MW > 999.0 M063472 unacceptable_atom Cu M063484 MW < 50.0 M063539 unacceptable_atom Co M063545 MW < 50.0 M063554 MW < 50.0 M063558 ps > 0 M063559 MW > 999.0 M063572 MW < 50.0 M063573 unacceptable_atom Al M063587 unacceptable_atom Nd M063590 unacceptable_atom Pt M063597 unacceptable_atom Zr M063598 unacceptable_atom V M063600 unacceptable_atom Np M063614 non-hydrogen_atoms < 4 M063615 MW < 50.0 M063628 unacceptable_atom Pu M063638 non-hydrogen_atoms < 4 M063640 MW < 50.0 M063647 MW < 50.0 M063650 unacceptable_atom Ni M063667 unacceptable_atom Rh M063671 unacceptable_atom Al M063681 MW < 50.0 M063685 unacceptable_atom Sb M063688 unacceptable_atom Te,Na M063691 unacceptable_atom As,Mn M063700 no_acceptable_nonsalt_component M063704 unacceptable_atom In M063715 MW < 50.0 M063718 unacceptable_atom W M063719 pp > 0 M063738 unacceptable_atom Ti M063762 unacceptable_atom Bi M063778 unacceptable_atom Al M063789 unacceptable_atom V M063836 MW < 50.0 M063839 unacceptable_atom Se M063851 MW > 999.0 M063852 MW > 999.0 M063868 unacceptable_atom Au M063885 unacceptable_atom Ti M063888 unacceptable_atom Hg M063890 unacceptable_atom Ge M063893 unacceptable_atom La M063895 no_acceptable_nonsalt_component M063897 unacceptable_atom Pb M063902 unacceptable_atom Cr M063903 unacceptable_atom Os M063910 non-hydrogen_atoms < 4 M063915 unacceptable_atom W M063934 unacceptable_atom Cu M063960 unacceptable_atom Ge M063980 unacceptable_atom Ti M104576 MW > 999.0 M104659 MW > 999.0 M104868 MW > 999.0 M104922 MW > 999.0 M104939 MW > 999.0 M104995 MW > 999.0 M105066 MW < 50.0 M105101 MW > 999.0 M105107 MW > 999.0 M105234 MW > 999.0 M105274 MW > 999.0 M071666 unacceptable_atom Hg M071682 MW < 50.0 M071709 ps > 0 M071849 unacceptable_atom Ge M071860 MW < 50.0 M111933 MW > 999.0 M111978 MW > 999.0 M111985 unacceptable_atom V M111995 MW > 999.0 M112016 MW > 999.0 M112025 MW > 999.0 M112128 MW > 999.0 M112150 MW > 999.0 M112155 MW > 999.0 M112173 MW > 999.0 M112224 MW > 999.0 M112257 MW > 999.0 M112278 MW > 999.0 M112281 MW > 999.0 M112312 MW > 999.0 M112384 unacceptable_atom Os M112408 MW > 999.0 M112411 MW > 999.0 M112449 MW > 999.0 M112474 MW > 999.0 M112508 MW > 999.0 M112528 MW > 999.0 M112549 MW > 999.0 M112586 MW > 999.0 M079365 MW > 999.0 M079416 no_acceptable_nonsalt_component M079435 unacceptable_atom Ga M079459 MW < 50.0 M079466 unacceptable_atom Yb M079544 no_acceptable_nonsalt_component M079700 unacceptable_atom Cr M079702 MW < 50.0 M079759 ps > 0 M079775 unacceptable_atom Dy M079781 unacceptable_atom Hg M079792 unacceptable_atom Cu M079843 MW > 999.0 M079848 unacceptable_atom Mo M079904 unacceptable_atom Sc M079915 unacceptable_atom Ge M079935 MW < 50.0 M079980 unacceptable_atom Se M073289 MW > 999.0 M111173 MW > 999.0 M111192 MW > 999.0 M111225 MW > 999.0 M111294 MW > 999.0 M111301 unacceptable_atom Se M111311 unacceptable_atom Tl M111323 MW > 999.0 M111411 MW > 999.0 M111412 MW > 999.0 M111428 MW > 999.0 M111444 non-hydrogen_atoms < 4 M111468 MW > 999.0 M111510 MW > 999.0 M111532 MW > 999.0 M111546 MW > 999.0 M111548 MW > 999.0 M111596 MW > 999.0 M111618 MW > 999.0 M111621 MW > 999.0 M111628 MW > 999.0 M111679 MW > 999.0 M111717 unacceptable_atom Mo M111718 MW > 999.0 M111730 MW > 999.0 M077434 unacceptable_atom Mn M077464 unacceptable_atom Al M077465 unacceptable_atom Te M077546 MW > 999.0 M077559 MW > 999.0 M077569 MW < 50.0 M077588 unacceptable_atom Pr M077602 unacceptable_atom As M077630 unacceptable_atom Cr M077645 unacceptable_atom Tm M077688 non-hydrogen_atoms < 4 M077734 unacceptable_atom As M077762 unacceptable_atom Nd M077763 unacceptable_atom Pb M077822 unacceptable_atom Se M077877 unacceptable_atom Pb M077880 unacceptable_atom Cs M077883 MW < 50.0 M077903 unacceptable_atom Ir M077926 unacceptable_atom Hg M077941 unacceptable_atom Co M078011 MW < 50.0 M115670 MW > 999.0 M115747 MW > 999.0 M115759 MW > 999.0 M115819 MW > 999.0 M115979 ps > 0 M115981 MW > 999.0 M116041 MW > 999.0 M116066 MW > 999.0 M116077 MW > 999.0 M116087 MW > 999.0 M116127 MW > 999.0 M116136 MW > 999.0 M116145 MW > 999.0 M116184 MW > 999.0 M116244 MW > 999.0 M106900 MW > 999.0 M106929 MW > 999.0 M106937 MW > 999.0 M107036 MW > 999.0 M107039 MW > 999.0 M107093 ps > 0 M107131 MW > 999.0 M107157 MW > 999.0 M107176 no_acceptable_nonsalt_component M107203 MW > 999.0 M107238 MW > 999.0 M107249 MW > 999.0 M107285 MW > 999.0 M107289 MW > 999.0 M107306 MW > 999.0 M107380 MW > 999.0 M107391 MW > 999.0 M107417 MW > 999.0 M107487 MW > 999.0 M107503 MW > 999.0 M062483 MW > 999.0 M062536 unacceptable_atom Au M062537 unacceptable_atom Fe M062541 MW < 50.0 M062567 unacceptable_atom As M062584 MW < 50.0 M062588 MW > 999.0 M062591 unacceptable_atom Fe M062614 MW < 50.0 M062616 unacceptable_atom Zr M062621 pp > 0 M062623 validation_error Explicit valence for atom # 1 Si, 8, is greater than permitted M062629 ps > 0 M062633 unacceptable_atom Ga M062646 ps > 0 M062653 MW < 50.0 M062654 ps > 0 M062658 unacceptable_atom Al M062659 unacceptable_atom V M062674 unacceptable_atom Cu M062693 unacceptable_atom Cr M062713 validation_error Explicit valence for atom # 1 Cl, 5, is greater than permitted M062731 MW < 50.0 M062738 unacceptable_atom As M062740 unacceptable_atom Hg M062743 MW < 50.0 M062747 unacceptable_atom Co M062755 unacceptable_atom Pt M062768 unacceptable_atom Al M062792 MW < 50.0 M062800 unacceptable_atom In M062802 unacceptable_atom Mn M062814 unacceptable_atom Al M062815 unacceptable_atom Fe M062836 unacceptable_atom Sb M062853 sss > 0 M062854 unacceptable_atom Pb M062859 unacceptable_atom V M062870 MW < 50.0 M062882 unacceptable_atom Dy M062893 unacceptable_atom Mn M062897 unacceptable_atom Se M062905 unacceptable_atom Mo M062926 unacceptable_atom Zr M062928 ps > 0 M062934 unacceptable_atom Se M062941 unacceptable_atom As M062942 unacceptable_atom Al M062967 ps > 0 M062973 no_acceptable_nonsalt_component M062977 unacceptable_atom Tc M062978 unacceptable_atom Cd M062980 unacceptable_atom Ni M062996 unacceptable_atom Ag M063007 ps > 0 M063010 MW > 999.0 M063018 unacceptable_atom Gd M063032 unacceptable_atom Bi M063036 unacceptable_atom Ni M063045 MW < 50.0 M063067 unacceptable_atom Sb M063081 unacceptable_atom V M063082 unacceptable_atom Pd M063100 unacceptable_atom Hf M063110 unacceptable_atom Os M063114 ps > 0 M063123 unacceptable_atom Ho M063125 unacceptable_atom Cu M063129 unacceptable_atom Al M063132 unacceptable_atom Pb M063145 unacceptable_atom As M063155 unacceptable_atom Be M063173 unacceptable_atom Nb M063204 MW < 50.0 M063211 no_acceptable_nonsalt_component M063218 unacceptable_atom Tb M063231 unacceptable_atom Xe M102302 unacceptable_atom Ge M102303 MW > 999.0 M102327 MW > 999.0 M102373 MW > 999.0 M102392 MW > 999.0 M102417 MW > 999.0 M102437 MW > 999.0 M102444 unacceptable_atom Al M102468 MW > 999.0 M102502 MW > 999.0 M102539 ps > 0 M102559 MW > 999.0 M102577 ps > 0 M102762 MW > 999.0 M102789 MW > 999.0 M102852 MW > 999.0 M102854 MW > 999.0 M102869 MW > 999.0 M102946 MW > 999.0 M102961 MW > 999.0 M067176 sss > 0 M067195 unacceptable_atom As M067223 unacceptable_atom Hg I011399 MW > 999.0 M067373 unacceptable_atom Te M067592 unacceptable_atom As M067597 ps > 0 M067639 unacceptable_atom Ge M067653 unacceptable_atom Ge M067673 ps > 0 M067821 unacceptable_atom As M067889 MW < 50.0 M002557 ps > 0 M002615 MW > 999.0 M002648 MW > 999.0 M002686 MW > 999.0 M002692 MW > 999.0 M002697 MW > 999.0 M002756 unacceptable_atom Al M002769 unacceptable_atom Cr M002809 MW > 999.0 M002930 sss > 0 M003025 MW > 999.0 M003028 unacceptable_atom Pd M003082 MW > 999.0 M003104 MW > 999.0 M003108 MW > 999.0 M003111 MW > 999.0 M003113 validation_error Explicit valence for atom # 7 Si, 8, is greater than permitted M003142 MW > 999.0 M003189 MW > 999.0 M003200 unacceptable_atom Al M128572 MW > 999.0 M128607 MW > 999.0 M128709 MW > 999.0 M128740 MW > 999.0 M128764 unacceptable_atom Zn M128870 MW > 999.0 M128965 MW > 999.0 M128998 MW > 999.0 M129043 MW > 999.0 M129089 MW > 999.0 M018139 MW > 999.0 M018200 MW < 50.0 M018223 MW > 999.0 M018240 MW > 999.0 M018266 MW > 999.0 M018285 MW > 999.0 M018313 MW > 999.0 M018320 MW > 999.0 M018371 no_acceptable_nonsalt_component M018388 unacceptable_atom Bi M018494 ps > 0 M018501 unacceptable_atom Ru M018580 MW > 999.0 M018605 MW > 999.0 M018608 MW > 999.0 M018621 MW > 999.0 M018634 MW > 999.0 M018673 MW > 999.0 M018688 unacceptable_atom Te M018689 MW > 999.0 M018706 MW > 999.0 R062159 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted R062184 no_acceptable_nonsalt_component R062189 no_acceptable_nonsalt_component R062292 unacceptable_atom Hg R062315 unacceptable_atom Hg R062329 unacceptable_atom As R062381 unacceptable_atom Ti R062429 MW > 999.0 R062506 unacceptable_atom Zn R062539 MW > 999.0 R062557 MW > 999.0 R062656 unacceptable_atom Mo R062993 unacceptable_atom Cr 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 #430 Failed to load mol Line #431 Failed to load mol Line #432 Failed to load mol Line #433 Failed to load mol Line #434 Failed to load mol Line #437 Failed to load mol Line #438 Failed to load mol Line #441 Failed to load mol I013995 MW > 999.0 Line #453 Failed to load mol I014018 unacceptable_atom As M076460 sss > 0 M126952 MW > 999.0 M127005 MW > 999.0 M127327 MW > 999.0 M127466 no_acceptable_nonsalt_component M127582 MW > 999.0 M004629 MW < 50.0 M004822 MW > 999.0 M004829 unacceptable_atom Sm M004946 MW > 999.0 M004958 unacceptable_atom Se M005157 MW > 999.0 M005185 MW > 999.0 M005227 MW > 999.0 R051006 sss > 0 R051462 MW > 999.0 R051516 MW > 999.0 M120046 unacceptable_atom As M120056 unacceptable_atom Ge M120059 no_acceptable_nonsalt_component M120119 no_acceptable_nonsalt_component M120120 unacceptable_atom Fe M120134 sss > 0 M120143 unacceptable_atom Cr M120210 non-hydrogen_atoms < 4 M120235 ps > 0 M120261 unacceptable_atom Ce M120269 unacceptable_atom As M120271 unacceptable_atom Cu M120280 unacceptable_atom Dy M120323 unacceptable_atom Cr M120333 no_acceptable_nonsalt_component M120341 unacceptable_atom Cu M120345 unacceptable_atom V M120351 unacceptable_atom Mn M120357 unacceptable_atom Er M120373 unacceptable_atom Ce M120428 unacceptable_atom Ba M120444 unacceptable_atom Yb M120454 ps > 0 M120505 no_acceptable_nonsalt_component M120509 unacceptable_atom Se M120537 unacceptable_atom Eu M120540 unacceptable_atom No M120608 ps > 0 M120652 unacceptable_atom Cr M120653 unacceptable_atom Se M120725 unacceptable_atom Se R056347 MW > 999.0 R056450 MW > 999.0 R056583 MW < 50.0 R056633 MW > 999.0 R056744 MW > 999.0 R056752 MW > 999.0 R056969 unacceptable_atom As R056970 unacceptable_atom As R057071 unacceptable_atom As R057073 unacceptable_atom As R057075 unacceptable_atom As R057077 unacceptable_atom As R057080 unacceptable_atom As M011402 MW > 999.0 M011527 MW < 50.0 M011544 ps > 0 M011547 unacceptable_atom Se M011853 MW > 999.0 M011908 MW > 999.0 M011990 unacceptable_atom As M096932 MW > 999.0 M096968 MW > 999.0 M097211 MW > 999.0 M097253 MW > 999.0 M097264 MW > 999.0 M097295 MW > 999.0 M097318 MW > 999.0 M097331 unacceptable_atom Al I013994 MW > 999.0 M097356 MW > 999.0 M097478 MW > 999.0 M097529 MW > 999.0 M097545 MW > 999.0 M097578 MW > 999.0 M097618 MW > 999.0 R014523 MW < 50.0 R014558 MW > 999.0 R014560 MW < 50.0 R014611 MW > 999.0 R014617 non-hydrogen_atoms < 4 R014651 MW > 999.0 R014712 MW > 999.0 R014744 MW > 999.0 R014757 MW > 999.0 R014885 MW > 999.0 R015026 MW > 999.0 R015179 unacceptable_atom As R015262 no_acceptable_nonsalt_component R015322 non-hydrogen_atoms < 4 R015327 non-hydrogen_atoms < 4 M054539 unacceptable_atom V M054544 unacceptable_atom Ti M054554 unacceptable_atom W M054560 MW < 50.0 M054564 unacceptable_atom Ti M054570 unacceptable_atom Pt M054572 unacceptable_atom Nb M054573 unacceptable_atom Se M054574 unacceptable_atom Re M054576 unacceptable_atom Al M054589 unacceptable_atom Ni M054590 unacceptable_atom Cr M054603 unacceptable_atom Ge M054618 non-hydrogen_atoms < 4 M054622 unacceptable_atom Zr M054631 unacceptable_atom Mo M054637 unacceptable_atom Zn M054650 unacceptable_atom Gd M054654 no_acceptable_nonsalt_component M054659 unacceptable_atom Ra M054661 unacceptable_atom Cs M054676 unacceptable_atom Fe M054687 unacceptable_atom Zr M054690 unacceptable_atom Lu M054692 unacceptable_atom In M054711 unacceptable_atom Te,Ga M054713 unacceptable_atom Na,As M054729 MW < 50.0 M054749 unacceptable_atom Re M054797 MW < 50.0 M054801 MW > 999.0 M054805 non-hydrogen_atoms < 4 M054807 unacceptable_atom Hg M054808 unacceptable_atom As M054816 MW < 50.0 M054830 unacceptable_atom Al M054835 unacceptable_atom Ta M054851 unacceptable_atom Sb M054854 unacceptable_atom Fe M054864 MW < 50.0 M054875 unacceptable_atom W M054885 unacceptable_atom Mo M054920 unacceptable_atom Cr M054922 unacceptable_atom Ti M054933 unacceptable_atom Cu M054940 MW < 50.0 M054946 unacceptable_atom Ti M054953 unacceptable_atom Al M054961 MW < 50.0 M054971 unacceptable_atom Al M054972 unacceptable_atom V M054983 unacceptable_atom As M054991 unacceptable_atom Pd M054996 unacceptable_atom Cr M055001 unacceptable_atom Pb M055002 MW > 999.0 M055010 no_acceptable_nonsalt_component M055053 unacceptable_atom Rh M055054 unacceptable_atom Mn M055086 unacceptable_atom Os M055114 MW < 50.0 M055118 unacceptable_atom Rb M055131 unacceptable_atom W M055135 unacceptable_atom Pd M055137 unacceptable_atom Mo M055138 unacceptable_atom Cs M055140 unacceptable_atom Al M055144 unacceptable_atom Fe M055148 unacceptable_atom Se M055149 unacceptable_atom Al M055150 unacceptable_atom Te M055158 unacceptable_atom Nb M055175 unacceptable_atom Be M055180 unacceptable_atom Mo M055183 MW < 50.0 M055203 unacceptable_atom Cr,Se M055210 unacceptable_atom Al M055221 unacceptable_atom Al M055235 no_acceptable_nonsalt_component M055259 unacceptable_atom Nb M055266 unacceptable_atom Cr M055271 unacceptable_atom V M055277 unacceptable_atom Se M055281 unacceptable_atom Ti M307677 ps > 0 M090069 MW > 999.0 R019533 no_acceptable_nonsalt_component R019630 non-hydrogen_atoms < 4 R019934 unacceptable_atom Cu R020161 unacceptable_atom Hg R020165 no_acceptable_nonsalt_component R020203 ps > 0 R020208 unacceptable_atom As M046376 unacceptable_atom Cu M046412 unacceptable_atom Fe M046442 unacceptable_atom Sb M046457 unacceptable_atom Se M046485 unacceptable_atom Ag M046509 unacceptable_atom Se M046519 unacceptable_atom Ge M046543 unacceptable_atom Au M046570 unacceptable_atom Zn M046593 unacceptable_atom Dy M046610 unacceptable_atom Ca,Se M046617 unacceptable_atom Sr,Se M046642 unacceptable_atom Be M046671 MW > 999.0 M046674 unacceptable_atom Se M046762 unacceptable_atom Ge M046850 unacceptable_atom Hg M046851 unacceptable_atom Al M046871 MW > 999.0 M046875 MW > 999.0 M046927 non-hydrogen_atoms < 4 M046934 MW > 999.0 M046942 unacceptable_atom Nd M046943 no_acceptable_nonsalt_component M046944 unacceptable_atom Al M047003 unacceptable_atom Se M047040 MW < 50.0 M047048 unacceptable_atom Co M047056 unacceptable_atom Fe M047061 unacceptable_atom Al M047063 unacceptable_atom Ge M047078 MW > 999.0 R009083 MW > 999.0 R009113 unacceptable_atom Se R009143 ps > 0 R009190 MW < 50.0 R009371 MW < 50.0 R009675 MW > 999.0 M081939 MW < 50.0 M082080 ps > 0 M082089 unacceptable_atom Re M082104 unacceptable_atom Se M082111 unacceptable_atom Te M082123 unacceptable_atom Ge M082140 unacceptable_atom Ge M082201 ps > 0 M082210 unacceptable_atom Cr M082232 sss > 0 M082273 unacceptable_atom Pd M082274 unacceptable_atom Pb M082287 unacceptable_atom Ga M082290 unacceptable_atom Ge M082305 unacceptable_atom Te M082343 non-hydrogen_atoms < 4 M082375 ps > 0 M082386 ps > 0 M082410 unacceptable_atom Pt M082443 unacceptable_atom Se M082464 no_acceptable_nonsalt_component M082479 ps > 0 M082483 unacceptable_atom Ge M082487 no_acceptable_nonsalt_component M082509 MW < 50.0 M082517 MW > 999.0 R004011 MW < 50.0 R004031 unacceptable_atom Se M088384 MW < 50.0 M088436 no_acceptable_nonsalt_component M088481 unacceptable_atom Pd M088482 ps > 0 M088579 unacceptable_atom Se M088601 ps > 0 M088639 no_acceptable_nonsalt_component M088651 sss > 0 M088699 ps > 0 M088709 unacceptable_atom Mo M324785 ps > 0 M324790 ps > 0 I007181 ps > 0 I007208 MW > 999.0 I007288 validation_error Explicit valence for atom # 0 N, 4, is greater than permitted I007292 ps > 0 I007344 MW > 999.0 Line #250 Failed to load mol I007374 unacceptable_atom Se I007581 unacceptable_atom Gd Line #481 Failed to load mol I007659 MW > 999.0 M036996 MW > 999.0 M037189 MW > 999.0 M037352 MW > 999.0 M037451 MW > 999.0 P000343 MW > 999.0 R035948 MW > 999.0 R035986 MW < 50.0 R036110 MW > 999.0 R036115 MW > 999.0 R036156 MW > 999.0 R036173 MW > 999.0 R036202 unacceptable_atom Se Line #178 Failed to load mol R036319 MW > 999.0 R036325 MW > 999.0 R036425 MW > 999.0 Line #286 Failed to load mol R036537 MW > 999.0 R036813 unacceptable_atom Ce R036931 unacceptable_atom Pd M027553 MW > 999.0 M027557 ps > 0 M027575 MW > 999.0 M027596 MW > 999.0 M027619 MW > 999.0 M027631 MW > 999.0 M027633 MW > 999.0 M027653 MW > 999.0 M027660 unacceptable_atom Zn M027691 MW > 999.0 M027725 MW > 999.0 M027750 MW > 999.0 M027751 MW > 999.0 M027767 MW > 999.0 M027791 MW > 999.0 M027816 MW > 999.0 M027838 MW > 999.0 M027839 MW > 999.0 M027874 ps > 0 M027888 MW > 999.0 M028010 MW > 999.0 M028012 MW > 999.0 M028023 MW > 999.0 M028044 MW > 999.0 M028072 MW > 999.0 M028094 MW > 999.0 M028100 MW > 999.0 M028106 MW > 999.0 M028134 MW > 999.0 M028142 unacceptable_atom Co M028158 MW > 999.0 M028200 MW > 999.0 M028224 MW > 999.0 M028239 MW > 999.0 M139474 MW < 50.0 M139490 MW > 999.0 M139615 ps > 0 M139818 MW > 999.0 M140031 MW > 999.0 M140149 MW < 50.0 I008988 MW > 999.0 I008999 MW > 999.0 I009012 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted I009109 MW > 999.0 Line #212 Failed to load mol I009357 MW > 999.0 I009425 unacceptable_atom Se I009426 MW > 999.0 I009433 unacceptable_atom Se Line #405 Failed to load mol I009449 MW > 999.0 I009500 unacceptable_atom Na I009547 MW > 999.0 I009556 validation_error Explicit valence for atom # 53 Sn, 6, is greater than permitted M338773 ps > 0 M023180 MW > 999.0 M023182 MW > 999.0 M023349 MW > 999.0 M023351 MW > 999.0 M023371 unacceptable_atom Hg M023469 MW > 999.0 M023471 MW > 999.0 M023494 MW > 999.0 M023583 unacceptable_atom Se M023590 MW > 999.0 M023604 MW > 999.0 M023605 ps > 0 M023627 MW > 999.0 M023635 MW > 999.0 M023648 MW > 999.0 M023657 MW > 999.0 M023801 MW > 999.0 M023835 MW > 999.0 M023880 MW > 999.0 R024494 unacceptable_atom W R024693 MW > 999.0 R024853 MW < 50.0 R024962 MW > 999.0 R024997 MW > 999.0 R025006 MW < 50.0 R025213 unacceptable_atom Hg R025214 unacceptable_atom Hg R025244 MW < 50.0 R025414 MW > 999.0 R066125 isotopes2h > 0 R066132 isotopes2h > 0 R066135 isotopes2h > 0 R066137 isotopes2h > 0 R066141 isotopes2h > 0 R066143 isotopes2h > 0 R066224 isotopes2h > 0 R066234 isotopes2h > 0 R066292 isotopes2h > 0 R066567 isotopes2h > 0 R066569 isotopes2h > 0 R066572 isotopes2h > 0 Line #75 Failed to load mol R066591 isotopes2h > 0 R066592 isotopes2h > 0 R066593 isotopes2h > 0 R066594 isotopes2h > 0 R066595 isotopes2h > 0 R066596 isotopes2h > 0 R066601 MW > 999.0 R066608 isotopes2h > 0 R066655 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted R066719 isotopes2h > 0 R066736 isotopes2h > 0 R066742 isotopes2h > 0 R066749 isotopes2h > 0 R066754 MW > 999.0 R066759 MW > 999.0 R066761 isotopes2h > 0 R066764 MW > 999.0 R066772 MW > 999.0 R066774 MW > 999.0 R066778 MW > 999.0 R066783 MW > 999.0 R066802 MW > 999.0 Line #257 Failed to load mol R066839 isotopes13c > 0 R066843 isotopes2h > 0 R066849 MW > 999.0 R066860 isotopes2h > 0 R066911 unacceptable_atom W Line #349 Failed to load mol R066952 isotopes2h > 0 R066991 ps > 0 R066996 MW > 999.0 R067006 isotopes2h > 0 R067025 isotopes2h > 0 R067026 isotopes2h > 0 R067027 isotopes2h > 0 R067033 ps > 0 R067049 isotopes2h > 0 R067050 isotopes2h > 0 R067055 isotopes2h > 0 Line #471 Failed to load mol R067095 isotopes15n > 0 R067097 isotopes2h > 0 R067102 isotopes2h > 0 Line #489 Failed to load mol M143483 sss > 0 M143899 MW > 999.0 M044999 MW > 999.0 M045001 MW > 999.0 M045036 MW > 999.0 M045110 MW > 999.0 M045155 MW > 999.0 M045390 MW > 999.0 M045405 unacceptable_atom Sb M045537 MW > 999.0 M045564 MW > 999.0 M045625 MW > 999.0 R011259 unacceptable_atom V R011404 MW > 999.0 R011504 ps > 0 R011558 MW > 999.0 R011561 MW > 999.0 R011714 MW > 999.0 R011742 ps > 0 R011808 MW > 999.0 R011812 ps > 0 R011814 ps > 0 M083210 MW < 50.0 M083219 ps > 0 M083220 unacceptable_atom Pb M083222 unacceptable_atom Al M083230 unacceptable_atom Hg M083259 non-hydrogen_atoms < 4 M083263 unacceptable_atom Zr M083272 unacceptable_atom Te M083275 MW > 999.0 M083307 ps > 0 M083531 ps > 0 M083746 unacceptable_atom Mo M083753 ps > 0 M083763 unacceptable_atom Fe M083784 unacceptable_atom Se M040960 MW > 999.0 M040973 MW > 999.0 M041174 ps > 0 M041263 MW > 999.0 M041290 MW > 999.0 M041353 MW > 999.0 M041407 unacceptable_atom Se M041443 MW > 999.0 M041444 MW > 999.0 M041463 unacceptable_atom Ga M087052 unacceptable_atom Ag M087078 no_acceptable_nonsalt_component M087099 unacceptable_atom As M087117 no_acceptable_nonsalt_component M087137 ps > 0 M087148 unacceptable_atom Fe M087194 MW < 50.0 M087206 unacceptable_atom Bi M087217 unacceptable_atom Zr M087221 unacceptable_atom Ti M087223 MW > 999.0 M087263 ps > 0 M087287 unacceptable_atom Hg M087293 unacceptable_atom Eu M087318 unacceptable_atom Te M087331 validation_error Explicit valence for atom # 1 Si, 8, is greater than permitted M087344 unacceptable_atom Te M087349 unacceptable_atom Au M087397 ps > 0 M087405 unacceptable_atom Mn M087433 MW < 50.0 M087460 unacceptable_atom Pt M087472 MW < 50.0 M087489 unacceptable_atom Ti M087492 unacceptable_atom Ge M087507 unacceptable_atom Tb M087524 MW > 999.0 M087531 unacceptable_atom Co M087537 MW > 999.0 M087546 ps > 0 M087573 MW < 50.0 M087600 unacceptable_atom Pb M087614 unacceptable_atom Mn M087657 unacceptable_atom Se M087658 MW < 50.0 M087666 ps > 0 M095572 MW > 999.0 M095641 MW > 999.0 M095708 MW > 999.0 M095799 MW > 999.0 M095824 MW > 999.0 M095921 MW > 999.0 M095934 unacceptable_atom Ag M095948 MW > 999.0 M096001 unacceptable_atom Fe M096019 MW > 999.0 M096058 MW > 999.0 M096115 MW > 999.0 M096189 MW > 999.0 R013017 MW > 999.0 R013512 MW > 999.0 R013605 MW > 999.0 M056056 unacceptable_atom Tl M056060 unacceptable_atom Ce M056061 unacceptable_atom Ge M056065 unacceptable_atom Yb M056076 unacceptable_atom Ca,Te M056082 unacceptable_atom Mn M056100 unacceptable_atom Hg M056104 MW < 50.0 M056109 unacceptable_atom W M056117 unacceptable_atom Ta M056134 unacceptable_atom Mn M056143 unacceptable_atom W M056144 unacceptable_atom Sr M056152 unacceptable_atom As M056157 unacceptable_atom Ho M056164 unacceptable_atom Pt M056173 unacceptable_atom Zn M056183 unacceptable_atom Eu M056185 unacceptable_atom Nb M056187 MW < 50.0 M056202 unacceptable_atom Hg M056207 unacceptable_atom Cr M056208 unacceptable_atom Mo M056210 unacceptable_atom Co M056214 unacceptable_atom Eu M056225 unacceptable_atom Ce M056229 unacceptable_atom As M056234 unacceptable_atom Ho M056240 unacceptable_atom W M056256 non-hydrogen_atoms < 4 M056269 unacceptable_atom Co M056274 MW < 50.0 M056278 sss > 0 M056279 MW < 50.0 M056294 unacceptable_atom Ac M056301 unacceptable_atom V,Se M056304 unacceptable_atom Se M056306 unacceptable_atom Cr M056312 no_acceptable_nonsalt_component M056315 unacceptable_atom Al M056326 unacceptable_atom Cf M056329 unacceptable_atom Tb R071448 MW > 999.0 M056360 unacceptable_atom Co M056370 no_acceptable_nonsalt_component M056393 MW > 999.0 M056397 unacceptable_atom V M057616 unacceptable_atom Sc M057620 unacceptable_atom Cu M057631 unacceptable_atom Ge,Se M057638 unacceptable_atom Tm,As M057644 unacceptable_atom Nd M057645 unacceptable_atom Se,As M057652 unacceptable_atom Cs M057664 MW < 50.0 M057672 unacceptable_atom Ga M057676 unacceptable_atom Cu M057689 MW < 50.0 M057690 unacceptable_atom Hf M057696 unacceptable_atom Se M057697 unacceptable_atom Ta M057702 unacceptable_atom Eu M057708 MW < 50.0 M057727 unacceptable_atom Pt M057734 unacceptable_atom Ti M057737 unacceptable_atom Se M057744 MW < 50.0 M057766 MW < 50.0 M057771 unacceptable_atom Ge M057789 non-hydrogen_atoms < 4 M057791 MW < 50.0 M057806 unacceptable_atom Sb M057808 MW > 999.0 M057809 unacceptable_atom Fe M057824 unacceptable_atom Mo M057851 unacceptable_atom Pt M057853 unacceptable_atom Gd M057856 unacceptable_atom Cu M057871 unacceptable_atom Cs M057932 unacceptable_atom Mo M057934 unacceptable_atom Nb M057956 unacceptable_atom Mn M057959 MW > 999.0 M057963 unacceptable_atom Ce M057965 MW < 50.0 M090973 MW > 999.0 M090975 MW > 999.0 M091025 MW > 999.0 M091052 unacceptable_atom Ge M091103 MW > 999.0 M091180 MW > 999.0 M091209 MW > 999.0 M091220 MW > 999.0 M091269 MW > 999.0 M091282 MW > 999.0 M091317 MW > 999.0 M091370 MW > 999.0 M091384 ps > 0 M091416 MW > 999.0 M091423 MW > 999.0 M091468 unacceptable_atom Cu M091488 MW > 999.0 M091539 MW > 999.0 M091612 MW > 999.0 M091638 ps > 0 R033549 no_acceptable_nonsalt_component R034072 no_acceptable_nonsalt_component R034102 MW > 999.0 R034152 no_acceptable_nonsalt_component R034426 MW > 999.0 R034455 MW < 50.0 R034723 unacceptable_atom Sb M029049 MW > 999.0 M029054 unacceptable_atom Pd M029062 MW > 999.0 M029075 ps > 0 M029076 unacceptable_atom Cu M029096 ps > 0 M029149 unacceptable_atom Al M029259 MW > 999.0 M029308 MW > 999.0 M029309 MW > 999.0 M029310 MW > 999.0 M029323 MW > 999.0 M029325 MW > 999.0 M029360 unacceptable_atom Te M029405 MW > 999.0 M029469 MW > 999.0 M029483 MW > 999.0 M029546 unacceptable_atom Se M029557 MW > 999.0 M029571 MW > 999.0 M029723 MW > 999.0 M138338 unacceptable_atom Se M138496 MW > 999.0 M138645 MW > 999.0 M001271 unacceptable_atom Se,Ge P000347 MW > 999.0 M001351 MW > 999.0 M001992 unacceptable_atom Zn M002174 MW < 50.0 M002518 unacceptable_atom As M002834 unacceptable_atom Se M003530 MW > 999.0 M004626 ps > 0 M004685 unacceptable_atom Fe M004704 unacceptable_atom Fe M004939 MW < 50.0 M004945 unacceptable_atom Al M005931 unacceptable_atom Cr M006739 MW > 999.0 M007677 MW < 50.0 M007915 MW < 50.0 M009186 no_acceptable_nonsalt_component M009435 unacceptable_atom Pb M009451 non-hydrogen_atoms < 4 M009528 MW > 999.0 M010019 unacceptable_atom Al M011017 non-hydrogen_atoms < 4 M011045 non-hydrogen_atoms < 4 M011823 MW > 999.0 M012199 MW > 999.0 M014064 sss > 0 M014068 unacceptable_atom Cd M014160 unacceptable_atom As M014187 MW > 999.0 M342644 ps > 0 M342911 ps > 0 R026399 unacceptable_atom Fe R026432 ps > 0 R026444 ps > 0 R026458 ps > 0 R026500 ps > 0 R026511 ps > 0 R026515 ps > 0 R026526 ps > 0 R026528 ps > 0 R026530 ps > 0 R026534 ps > 0 R026541 ps > 0 R026547 ps > 0 R026565 ps > 0 R026572 MW > 999.0 R026608 MW > 999.0 R026633 ps > 0 R026698 MW > 999.0 R026702 MW > 999.0 R026718 no_acceptable_nonsalt_component R026760 unacceptable_atom Cu R026761 unacceptable_atom Os R026780 MW > 999.0 R026823 no_acceptable_nonsalt_component R026852 MW > 999.0 R026881 unacceptable_atom Ba R026926 unacceptable_atom Tl R026974 MW > 999.0 R026975 no_acceptable_nonsalt_component R051550 isotopes2h > 0 R051559 isotopes2h > 0 R054679 isotopes2h > 0 R054772 isotopes2h > 0 R054777 isotopes2h > 0 R055365 isotopes2h > 0 R056502 isotopes2h > 0 R058867 isotopes2h > 0 R059009 isotopes2h > 0 R059208 isotopes2h > 0 R059261 isotopes2h > 0 R060657 isotopes2h > 0 R061139 isotopes2h > 0 R061156 isotopes2h > 0 R061214 isotopes2h > 0 R061219 isotopes2h > 0 R061382 MW > 999.0 Line #137 Failed to load mol R062433 isotopes2h > 0 R063726 validation_error Explicit valence for atom # 42 N, 4, is greater than permitted R064403 validation_error Explicit valence for atom # 18 N, 4, is greater than permitted R064423 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted R064443 isotopes2h > 0 Line #267 Failed to load mol R064595 isotopes2h > 0 R064745 isotopes2h > 0 R064752 isotopes2h > 0 R064777 isotopes2h > 0 R064778 isotopes2h > 0 R064780 isotopes2h > 0 R064793 isotopes2h > 0 R064795 isotopes2h > 0 R064796 isotopes2h > 0 R064797 isotopes2h > 0 R064798 isotopes2h > 0 R064799 isotopes2h > 0 R064800 isotopes2h > 0 R064801 isotopes2h > 0 R064802 isotopes2h > 0 R064803 isotopes2h > 0 R064805 isotopes2h > 0 R064806 isotopes2h > 0 R064807 isotopes2h > 0 R064808 isotopes2h > 0 R064882 isotopes2h > 0 R064883 isotopes2h > 0 R064888 isotopes2h > 0 R064892 isotopes2h > 0 R064922 isotopes2h > 0 R064923 isotopes2h > 0 R064924 isotopes2h > 0 R064925 isotopes2h > 0 P000344 MW > 999.0 Line #119 Failed to load mol Line #164 Failed to load mol I002035 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted I002085 validation_error Explicit valence for atom # 27 O, 3, is greater than permitted Line #196 Failed to load mol I002133 ps > 0 I002180 MW > 999.0 Line #310 Failed to load mol Line #313 Failed to load mol I002380 MW > 999.0 Line #364 Failed to load mol I002496 MW > 999.0 I008332 MW > 999.0 I008347 MW > 999.0 I008412 MW > 999.0 I008484 MW > 999.0 I008487 MW > 999.0 I008530 MW > 999.0 Line #182 Failed to load mol I008541 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted I008558 MW > 999.0 I008559 MW > 999.0 I008560 MW > 999.0 I008561 MW > 999.0 Line #199 Failed to load mol I008637 MW > 999.0 I008755 unacceptable_atom Na I008783 MW > 999.0 I008804 MW > 999.0 I008828 MW > 999.0 I008933 MW > 999.0 M035837 MW > 999.0 M035872 MW > 999.0 M035966 MW > 999.0 M036118 unacceptable_atom Se M036171 MW > 999.0 M036216 MW < 50.0 I004912 MW > 999.0 I004933 MW > 999.0 I005028 MW > 999.0 Line #53 Failed to load mol I005107 MW > 999.0 Line #89 Failed to load mol Line #243 Failed to load mol I005676 MW > 999.0 Line #312 Failed to load mol I000012 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted R044342 unacceptable_atom Cr R044476 ps > 0 R044565 no_acceptable_nonsalt_component R044589 MW < 50.0 R044592 no_acceptable_nonsalt_component R044678 MW < 50.0 R044690 ps > 0 R044740 MW < 50.0 R044741 ps > 0 R044742 ps > 0 R044819 unacceptable_atom Se R044822 unacceptable_atom Se R044868 no_acceptable_nonsalt_component R044880 MW < 50.0 R044888 ps > 0 R044998 ps > 0 R045001 ps > 0 R045138 ps > 0 R045170 ps > 0 R045177 MW < 50.0 R045191 ps > 0 R045204 ps > 0 R045242 MW < 50.0 R045253 MW > 999.0 R045257 MW > 999.0 M209477 sss > 0 M209500 sss > 0 M209501 sss > 0 M209502 sss > 0 M209503 sss > 0 M209504 sss > 0 M108237 unacceptable_atom As M108241 MW > 999.0 M108262 MW > 999.0 M108270 MW > 999.0 M108282 MW > 999.0 M108303 MW > 999.0 M108363 unacceptable_atom Se M108399 ps > 0 M108403 MW > 999.0 M108440 unacceptable_atom Hg M108479 MW > 999.0 M108500 MW > 999.0 M108587 MW > 999.0 M108592 MW > 999.0 M108595 MW > 999.0 M108631 MW > 999.0 M108664 MW > 999.0 M108773 unacceptable_atom Al M108785 MW > 999.0 M108876 MW > 999.0 M108880 MW > 999.0 M108911 MW > 999.0 M060990 unacceptable_atom Cu M060994 unacceptable_atom Cd,As M060998 no_acceptable_nonsalt_component M060999 unacceptable_atom Cd M061016 unacceptable_atom W M061023 unacceptable_atom As M061027 unacceptable_atom Pd M061032 MW < 50.0 M061034 MW < 50.0 M061037 unacceptable_atom Ni M061038 unacceptable_atom Re M061042 unacceptable_atom Cr M061050 unacceptable_atom Pd M061051 unacceptable_atom Ga M061071 unacceptable_atom Bi M061089 ps > 0 M061101 unacceptable_atom As M061109 ps > 0 M061110 MW < 50.0 M061113 unacceptable_atom Ni M061126 unacceptable_atom Ge M061128 unacceptable_atom W M061136 unacceptable_atom Ti M061145 unacceptable_atom Mo M061150 unacceptable_atom W,Te M061170 unacceptable_atom Mo M061180 unacceptable_atom V M061183 MW < 50.0 M061185 unacceptable_atom Be M061192 unacceptable_atom As M061211 unacceptable_atom Ni M061219 unacceptable_atom Rh M061224 unacceptable_atom Re M061225 non-hydrogen_atoms < 4 M061230 no_acceptable_nonsalt_component M061236 unacceptable_atom V M061254 MW < 50.0 M061261 unacceptable_atom Mn M061283 no_acceptable_nonsalt_component M061284 unacceptable_atom Se,W M061286 unacceptable_atom Cd M061290 unacceptable_atom Co M061315 unacceptable_atom Fe M061323 unacceptable_atom Re M061325 MW > 999.0 M061326 unacceptable_atom Hg M061327 no_acceptable_nonsalt_component M061329 unacceptable_atom Co M061331 unacceptable_atom Ta M061333 unacceptable_atom As M061344 unacceptable_atom As M061353 unacceptable_atom Al M061356 unacceptable_atom Ti M061390 unacceptable_atom Se M061408 non-hydrogen_atoms < 4 M061422 unacceptable_atom Al M061429 non-hydrogen_atoms < 4 M061446 unacceptable_atom Eu M061455 unacceptable_atom Ti M061497 unacceptable_atom Cr M061520 unacceptable_atom Al M061539 unacceptable_atom Fe M061550 unacceptable_atom Cr M061564 unacceptable_atom W M061573 ps > 0 M061587 unacceptable_atom Re,Te M061603 unacceptable_atom V M061608 unacceptable_atom As M061638 unacceptable_atom Sc M061639 unacceptable_atom Sm M061662 unacceptable_atom As M061671 unacceptable_atom Ti M061673 unacceptable_atom Mo M061677 MW < 50.0 M061686 unacceptable_atom Gd M061696 unacceptable_atom Mn,Te M100770 MW > 999.0 M100794 MW > 999.0 M100826 MW > 999.0 M100830 MW > 999.0 M100837 MW > 999.0 M101028 MW > 999.0 M101092 MW > 999.0 M101208 MW > 999.0 M101333 MW > 999.0 M101360 MW > 999.0 M101376 MW > 999.0 M101417 MW > 999.0 M101426 MW > 999.0 M101443 MW > 999.0 M101480 MW > 999.0 M101504 MW > 999.0 M068989 unacceptable_atom Se M069015 unacceptable_atom Hg M069065 MW < 50.0 M069079 unacceptable_atom Hg M069205 ps > 0 M069208 pp > 0 M069298 MW < 50.0 M069311 ps > 0 M069330 unacceptable_atom Al M069357 MW > 999.0 M069415 unacceptable_atom Pb M069418 ps > 0 M069438 MW > 999.0 M069474 unacceptable_atom As M069493 ps > 0 M069544 ps > 0 M069621 unacceptable_atom Hg M069662 unacceptable_atom Ga M069668 unacceptable_atom Al M069707 unacceptable_atom Bi,As M069769 MW < 50.0 M069791 MW > 999.0 M069802 ps > 0 M109702 unacceptable_atom As M109707 MW > 999.0 M109712 MW > 999.0 M109714 MW > 999.0 M109738 MW > 999.0 M109769 MW > 999.0 M109793 MW > 999.0 M109811 MW > 999.0 M109961 MW > 999.0 M109962 MW > 999.0 M109978 MW > 999.0 M109998 MW > 999.0 M110082 MW > 999.0 M110153 MW > 999.0 M110170 MW > 999.0 M110195 unacceptable_atom Ru M110218 MW > 999.0 M110219 MW > 999.0 M110234 MW > 999.0 M110242 MW > 999.0 M110274 MW > 999.0 M110287 MW > 999.0 M110312 unacceptable_atom Sb M076193 unacceptable_atom Sb M076208 unacceptable_atom Ti M076250 unacceptable_atom Cr M076267 unacceptable_atom Pt M076270 unacceptable_atom Zn M076334 MW > 999.0 M076338 unacceptable_atom Pt M076363 unacceptable_atom Al M076378 ps > 0 M076392 no_acceptable_nonsalt_component M076484 unacceptable_atom Ge M076495 validation_error Explicit valence for atom # 1 I, 7, is greater than permitted M076503 sss > 0 M076532 unacceptable_atom Sb M076544 MW < 50.0 M076601 non-hydrogen_atoms < 4 M076621 MW < 50.0 M076655 ps > 0 M076693 unacceptable_atom Ge M076737 ps > 0 M005923 MW > 999.0 M005964 MW > 999.0 M006029 MW > 999.0 M006071 MW > 999.0 M006141 MW > 999.0 M006160 unacceptable_atom Ge M006241 MW > 999.0 M006330 MW > 999.0 M006427 MW > 999.0 M006446 MW > 999.0 M006450 unacceptable_atom Sb M006549 unacceptable_atom Mn R049125 unacceptable_atom As R049314 MW > 999.0 R049560 MW > 999.0 R049562 MW > 999.0 R049563 MW > 999.0 R049564 MW > 999.0 R049731 unacceptable_atom Se R049854 ps > 0 R049856 ps > 0 R049859 ps > 0 R049941 ps > 0 R049950 ps > 0 R049952 ps > 0 R049955 ps > 0 R049956 ps > 0 I014552 MW > 999.0 I014554 validation_error Explicit valence for atom # 52 B, 4, is greater than permitted I014596 MW > 999.0 I014654 MW > 999.0 I014655 MW > 999.0 I014671 validation_error Explicit valence for atom # 0 N, 4, is greater than permitted I014683 MW > 999.0 I014694 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted I014699 MW > 999.0 I014700 MW > 999.0 I014728 MW > 999.0 I014743 MW > 999.0 I014745 unacceptable_atom Bi I014758 MW > 999.0 I014761 unacceptable_atom Zn Line #217 Failed to load mol R072403 MW > 999.0 R072419 MW > 999.0 R072442 MW > 999.0 R072445 MW > 999.0 R072451 MW > 999.0 R072461 MW > 999.0 R072526 MW > 999.0 R072543 MW > 999.0 R072616 MW > 999.0 R072631 MW > 999.0 R072637 MW > 999.0 M121474 MW < 50.0 M121500 ps > 0 M121503 unacceptable_atom V M121535 unacceptable_atom Se M121543 no_acceptable_nonsalt_component M121561 unacceptable_atom Se M121595 unacceptable_atom Zn M121618 MW < 50.0 M121710 unacceptable_atom Te M121711 MW > 999.0 M121720 unacceptable_atom Sr M121754 unacceptable_atom Au M121759 unacceptable_atom Ho M121782 MW > 999.0 M121806 unacceptable_atom Er M121820 ps > 0 M121883 ps > 0 M121972 unacceptable_atom Ge M121975 unacceptable_atom As M122029 MW > 999.0 M122047 unacceptable_atom Al M122066 unacceptable_atom Nd M122092 unacceptable_atom Ge R058346 MW > 999.0 R058379 MW < 50.0 R058389 unacceptable_atom Fe R058479 ps > 0 R058513 unacceptable_atom In R058642 ps > 0 R058692 MW > 999.0 R058702 MW > 999.0 M010048 MW > 999.0 M010094 unacceptable_atom Sm M010187 MW > 999.0 M010197 MW > 999.0 M010206 MW > 999.0 M010217 unacceptable_atom Se M010282 ps > 0 M010329 MW > 999.0 M010358 MW > 999.0 M010379 MW > 999.0 M010418 MW > 999.0 M010435 unacceptable_atom Ir M010484 MW > 999.0 M010545 MW > 999.0 M003885 ps > 0 M003943 unacceptable_atom Se M003980 MW > 999.0 M004051 MW > 999.0 M004058 MW > 999.0 M004104 MW > 999.0 M004189 MW > 999.0 M004213 MW > 999.0 M004235 MW > 999.0 M004285 unacceptable_atom Sb M004322 MW > 999.0 M004394 MW > 999.0 M004395 unacceptable_atom Ga M004412 MW > 999.0 M004500 MW > 999.0 M004534 MW > 999.0 M004568 unacceptable_atom In M130100 MW > 999.0 M130147 unacceptable_atom Co M130324 MW > 999.0 M130418 unacceptable_atom Al M130494 MW > 999.0 M130505 MW > 999.0 M019659 MW > 999.0 M019670 MW > 999.0 M019699 MW > 999.0 T000045 MW > 999.0 M019790 unacceptable_atom Sb M019792 MW > 999.0 M019862 MW > 999.0 M019874 MW > 999.0 M019911 MW > 999.0 M019913 MW > 999.0 M019928 unacceptable_atom Hg M019944 MW > 999.0 M020086 MW > 999.0 M020104 unacceptable_atom Se M020117 MW > 999.0 M020131 MW > 999.0 M020149 MW > 999.0 M020180 MW > 999.0 M020199 MW > 999.0 M020200 MW > 999.0 M020247 validation_error Explicit valence for atom # 7 Cl, 3, is greater than permitted R059973 MW < 50.0 R060017 no_acceptable_nonsalt_component R060104 MW < 50.0 R060276 MW > 999.0 R060343 no_acceptable_nonsalt_component R060366 no_acceptable_nonsalt_component R060446 MW > 999.0 R060447 MW > 999.0 R060588 no_acceptable_nonsalt_component R060930 unacceptable_atom Cu R060972 unacceptable_atom Mo M134213 MW > 999.0 M134241 MW > 999.0 M134307 MW > 999.0 Line #116 Failed to load mol M134442 unacceptable_atom Se M134478 MW > 999.0 M134730 MW < 50.0 M134741 MW > 999.0 M134757 ps > 0 M134769 MW > 999.0 M134807 MW > 999.0 M283427 unacceptable_atom Se M283428 unacceptable_atom Se M283429 unacceptable_atom Se M283431 unacceptable_atom Se M283439 unacceptable_atom Se M283440 unacceptable_atom Se M283441 unacceptable_atom Se M283442 unacceptable_atom Se M283444 unacceptable_atom Se M283445 unacceptable_atom Se M283446 unacceptable_atom Se M283447 unacceptable_atom Se M283448 unacceptable_atom Se M283449 unacceptable_atom Se M130597 MW > 999.0 M130686 MW > 999.0 M130968 unacceptable_atom Bi M130980 MW > 999.0 M131016 ps > 0 M131051 unacceptable_atom Eu M131195 MW > 999.0 M131236 MW > 999.0 M021852 MW > 999.0 M021879 MW > 999.0 M021932 MW > 999.0 M021948 MW > 999.0 M021963 MW > 999.0 M021981 MW > 999.0 M022015 MW > 999.0 M022238 MW > 999.0 M022279 MW > 999.0 M022298 MW > 999.0 M022353 MW > 999.0 M022361 unacceptable_atom Pd M022371 MW > 999.0 M022374 MW > 999.0 M022398 MW > 999.0 M022440 MW > 999.0 M022446 MW > 999.0 M022456 MW > 999.0 M001888 MW > 999.0 M001966 unacceptable_atom Pt M002004 MW > 999.0 M002053 MW > 999.0 M002057 MW > 999.0 M002066 unacceptable_atom Zr M002079 unacceptable_atom Os M002101 ps > 0 M002205 MW > 999.0 M002220 MW > 999.0 M002426 MW > 999.0 M002441 unacceptable_atom Co M002510 MW > 999.0 M014859 MW > 999.0 M252831 ps > 0 M252846 ps > 0 R049002 MW < 50.0 M006734 unacceptable_atom Te M006747 MW > 999.0 M006792 MW > 999.0 M006807 MW > 999.0 M006858 MW > 999.0 M006967 MW > 999.0 M007020 MW > 999.0 M007059 MW > 999.0 M007075 MW > 999.0 M007197 MW > 999.0 M007214 MW > 999.0 M007217 unacceptable_atom Se M007241 MW > 999.0 M007252 MW > 999.0 M123659 unacceptable_atom Sb M123662 unacceptable_atom Nb M123706 MW < 50.0 M123718 unacceptable_atom Al M123759 unacceptable_atom Pb M123808 unacceptable_atom Al M123856 unacceptable_atom Se M123999 unacceptable_atom Te M124003 MW < 50.0 M124014 ps > 0 M124029 unacceptable_atom Hg M124039 unacceptable_atom Er M124051 unacceptable_atom Mn M124090 unacceptable_atom Eu M124102 unacceptable_atom La M124104 MW < 50.0 M124115 unacceptable_atom Cu M124136 ps > 0 M124171 MW < 50.0 M124227 MW < 50.0 M289789 unacceptable_atom Se M289805 unacceptable_atom Se M289812 unacceptable_atom Se M289813 unacceptable_atom Se M289814 unacceptable_atom Se M289816 unacceptable_atom Se M289826 unacceptable_atom Se M289827 unacceptable_atom Se M289830 unacceptable_atom Se M289836 unacceptable_atom Se M289840 unacceptable_atom Se M289853 unacceptable_atom Se M289856 unacceptable_atom Se M289861 unacceptable_atom Se M289862 unacceptable_atom Se M289863 unacceptable_atom Se M289866 unacceptable_atom Se M289867 unacceptable_atom Se M289868 unacceptable_atom Se M289882 unacceptable_atom Se M289883 unacceptable_atom Se M289885 unacceptable_atom Se M289890 unacceptable_atom Se M289891 unacceptable_atom Se M289894 unacceptable_atom Se M289903 unacceptable_atom Se M289908 unacceptable_atom Se M289916 unacceptable_atom Se M289929 unacceptable_atom Se M289932 unacceptable_atom Se M289935 unacceptable_atom Se M289936 unacceptable_atom Se M289937 unacceptable_atom Se M289939 unacceptable_atom Se M289946 unacceptable_atom Se M289952 unacceptable_atom Se R072676 MW > 999.0 R072682 MW > 999.0 R072692 MW > 999.0 R072714 MW > 999.0 R072715 MW > 999.0 R072721 MW > 999.0 R072722 MW > 999.0 R072731 MW > 999.0 M013527 unacceptable_atom Te M013640 MW > 999.0 M013655 MW > 999.0 M013672 unacceptable_atom Eu M013674 MW > 999.0 M013678 MW > 999.0 M013683 MW > 999.0 M013689 MW > 999.0 M013730 MW > 999.0 M013824 MW > 999.0 R053673 MW > 999.0 R053676 MW > 999.0 R054193 MW > 999.0 R054500 unacceptable_atom Hg M113443 ps > 0 M113470 MW > 999.0 M113518 MW > 999.0 M113606 MW > 999.0 M113625 MW > 999.0 M113629 MW > 999.0 M113642 MW > 999.0 M113696 MW > 999.0 M113728 MW > 999.0 M113739 MW > 999.0 M113774 MW > 999.0 M113801 MW > 999.0 M113812 MW > 999.0 M113869 MW > 999.0 M113910 MW > 999.0 M113937 MW > 999.0 M113949 unacceptable_atom Te M113959 sss > 0 M114026 MW > 999.0 M114046 MW > 999.0 M114074 MW > 999.0 M114109 MW > 999.0 M114133 MW > 999.0 M078061 ps > 0 M078078 MW < 50.0 M078094 unacceptable_atom Ge M078114 MW < 50.0 M078167 unacceptable_atom Se M078190 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted M078218 unacceptable_atom Ge M078223 non-hydrogen_atoms < 4 M078225 unacceptable_atom Al M078249 MW < 50.0 M078267 unacceptable_atom Ir M078275 MW < 50.0 M078277 ps > 0 M078312 unacceptable_atom Ni M078341 ps > 0 M078476 no_acceptable_nonsalt_component M078500 unacceptable_atom Ge M078525 unacceptable_atom Mn M078564 unacceptable_atom Se M078591 unacceptable_atom Cu M074280 unacceptable_atom As M074315 MW < 50.0 M074332 unacceptable_atom Ge M074336 unacceptable_atom Pt M074414 unacceptable_atom In M074418 sss > 0 M074427 MW < 50.0 M074459 unacceptable_atom Al M074461 MW < 50.0 M074498 MW > 999.0 M074520 ps > 0 M074524 no_acceptable_nonsalt_component M074549 ps > 0 M074577 ps > 0 M074590 unacceptable_atom Sb M074603 unacceptable_atom Ce M074656 unacceptable_atom Au M074685 ps > 0 M074743 unacceptable_atom Cs M074754 unacceptable_atom Se M074786 unacceptable_atom Mn M074801 unacceptable_atom Pb M074842 pp > 0 M074864 unacceptable_atom As M074876 MW < 50.0 M074877 validation_error Explicit valence for atom # 1 Si, 8, is greater than permitted M064725 ps > 0 M064728 unacceptable_atom Mn M064735 MW < 50.0 M064743 unacceptable_atom Al M064751 unacceptable_atom W M064752 ps > 0 M064755 unacceptable_atom Rh M064759 non-hydrogen_atoms < 4 M064762 unacceptable_atom Bi,Ti M064799 unacceptable_atom Se,Re M064804 unacceptable_atom Bi M064806 unacceptable_atom Al M064823 unacceptable_atom Co M064827 MW > 999.0 M064840 MW < 50.0 M064842 unacceptable_atom V M064870 unacceptable_atom Ca M064875 unacceptable_atom As M064881 unacceptable_atom Cu M064888 unacceptable_atom Se M064895 unacceptable_atom Ni M064919 unacceptable_atom Mn,Te M064931 unacceptable_atom Cu M064949 unacceptable_atom Pb M064955 unacceptable_atom Te M064958 MW < 50.0 M064972 no_acceptable_nonsalt_component M064977 unacceptable_atom Nb M064984 unacceptable_atom Al M064986 unacceptable_atom Mn M065000 unacceptable_atom Mn M065038 unacceptable_atom Yb M065041 unacceptable_atom Ni M065048 unacceptable_atom Al M065065 unacceptable_atom Al M065075 unacceptable_atom Hf M065080 unacceptable_atom Ir M065085 unacceptable_atom Al M065101 unacceptable_atom Cr M065117 unacceptable_atom Nb M065127 unacceptable_atom Tb M065133 unacceptable_atom V M065134 non-hydrogen_atoms < 4 M065151 MW < 50.0 M065155 unacceptable_atom Se M065164 unacceptable_atom Cd M065174 unacceptable_atom Zn M065176 MW < 50.0 M065187 unacceptable_atom Te M065193 MW < 50.0 M065201 unacceptable_atom Pt M065203 unacceptable_atom V M065204 unacceptable_atom Be M065213 MW < 50.0 M065244 MW < 50.0 M065251 MW < 50.0 M065261 MW > 999.0 M065267 unacceptable_atom V M065269 unacceptable_atom Pd M065273 unacceptable_atom Ni M065285 unacceptable_atom In M065289 no_acceptable_nonsalt_component M065301 unacceptable_atom W M065305 MW > 999.0 M065306 unacceptable_atom Cr M065309 unacceptable_atom Ge M065313 unacceptable_atom Hg M065315 unacceptable_atom Ti M065345 unacceptable_atom Al M065353 unacceptable_atom Zn M065392 unacceptable_atom W M065408 unacceptable_atom Al M065413 unacceptable_atom Ge M065427 unacceptable_atom Rh M065430 ps > 0 M065433 unacceptable_atom Bi M065455 non-hydrogen_atoms < 4 M065460 ps > 0 M065462 no_acceptable_nonsalt_component M065493 unacceptable_atom Pb M103036 MW > 999.0 M103044 MW > 999.0 M103066 MW > 999.0 M103080 ps > 0 M103088 MW > 999.0 M103100 MW > 999.0 M103104 MW > 999.0 M103111 MW > 999.0 M103160 unacceptable_atom Se M103175 MW > 999.0 M103202 ps > 0 M103237 MW < 50.0 M103289 ps > 0 M103291 MW > 999.0 M103370 MW > 999.0 M103376 MW > 999.0 M103480 MW > 999.0 M103481 MW > 999.0 M103512 MW > 999.0 M103515 MW > 999.0 M103532 unacceptable_atom Ti M103550 MW > 999.0 M103580 MW > 999.0 M103591 MW > 999.0 M103644 MW > 999.0 M103695 MW > 999.0 M103696 MW > 999.0 M103760 unacceptable_atom Se M069863 unacceptable_atom Ge M069873 MW < 50.0 M069914 ps > 0 M069921 unacceptable_atom Hg M069971 unacceptable_atom As M070006 unacceptable_atom Se M070011 unacceptable_atom As M070047 MW < 50.0 M070167 unacceptable_atom Hg M070170 non-hydrogen_atoms < 4 M070196 unacceptable_atom Hg M070269 unacceptable_atom Hg M070270 ps > 0 M070288 unacceptable_atom Hg M070306 unacceptable_atom As M070309 MW < 50.0 M070314 MW > 999.0 M070373 ps > 0 M070392 unacceptable_atom Ge M070427 pp > 0 M070460 unacceptable_atom Hg M070462 unacceptable_atom Cr M070534 no_acceptable_nonsalt_component M070547 unacceptable_atom Ge M070559 MW > 999.0 M070590 unacceptable_atom As M070621 no_acceptable_nonsalt_component M070660 MW > 999.0 M098491 MW > 999.0 M098514 MW > 999.0 M098613 MW > 999.0 M098808 MW > 999.0 M098890 MW > 999.0 M098945 MW > 999.0 M099018 MW > 999.0 M099129 MW > 999.0 M099154 MW > 999.0 M099169 MW > 999.0 R039590 ps > 0 Line #310 Failed to load mol R039791 non-hydrogen_atoms < 4 R040080 unacceptable_atom As M034985 MW > 999.0 M035114 MW > 999.0 M035132 MW > 999.0 P000420 MW > 999.0 M035276 ps > 0 M035344 MW > 999.0 M035526 unacceptable_atom Tl M035579 MW > 999.0 M035581 MW > 999.0 M176603 ps > 0 M176730 ps > 0 M176731 ps > 0 M038999 MW > 999.0 M039008 MW > 999.0 M039091 MW > 999.0 M039142 MW > 999.0 M039291 MW > 999.0 M039448 MW > 999.0 M039468 MW > 999.0 M039533 MW > 999.0 R070636 unacceptable_atom Pb R070709 MW < 50.0 R070856 unacceptable_atom As R070864 non-hydrogen_atoms < 4 R070893 MW < 50.0 R070925 unacceptable_atom Pb R070939 MW < 50.0 R070995 unacceptable_atom Sb R071039 ps > 0 R071118 unacceptable_atom Al,Sb R071120 unacceptable_atom As R071128 no_acceptable_nonsalt_component R071129 no_acceptable_nonsalt_component R071130 unacceptable_atom As Line #26 Failed to load mol P000355 MW > 999.0 P000413 MW > 999.0 Line #63 Failed to load mol Line #64 Failed to load mol I006497 MW > 999.0 I006522 MW > 999.0 I006527 MW > 999.0 I006584 ps > 0 I006600 MW > 999.0 I006625 unacceptable_atom As I006702 MW > 999.0 I006723 MW > 999.0 I006724 MW > 999.0 I006774 MW > 999.0 I006815 sss > 0 I006859 MW > 999.0 Line #390 Failed to load mol I006908 MW > 999.0 Line #403 Failed to load mol Line #420 Failed to load mol I006948 unacceptable_atom Na M014406 MW < 50.0 M014661 unacceptable_atom Zn M014958 non-hydrogen_atoms < 4 M015003 MW > 999.0 M015026 unacceptable_atom Ti M015207 no_acceptable_nonsalt_component M015218 MW < 50.0 M016257 MW < 50.0 M016393 unacceptable_atom Zn M017494 unacceptable_atom Se M017504 unacceptable_atom Se M017680 MW < 50.0 M017958 unacceptable_atom Cr M017997 unacceptable_atom Pb M018350 MW < 50.0 M018800 unacceptable_atom Zn M019914 MW > 999.0 P000032 MW > 999.0 P000033 MW > 999.0 P000034 MW > 999.0 P000035 MW > 999.0 P000043 MW > 999.0 P000045 MW > 999.0 P000047 MW > 999.0 P000048 MW > 999.0 P000049 MW > 999.0 P000051 MW > 999.0 P000056 MW > 999.0 P000059 MW > 999.0 P000060 MW > 999.0 P000061 MW > 999.0 P000062 MW > 999.0 P000065 MW > 999.0 P000066 MW > 999.0 P000068 MW > 999.0 P000070 MW > 999.0 P000071 MW > 999.0 P000072 MW > 999.0 Line #370 Failed to load mol P000080 MW > 999.0 P000082 MW > 999.0 P000083 MW > 999.0 P000085 MW > 999.0 P000087 MW > 999.0 P000088 MW > 999.0 P000089 MW > 999.0 P000090 MW > 999.0 P000091 MW > 999.0 P000092 MW > 999.0 P000093 MW > 999.0 P000096 MW > 999.0 P000097 MW > 999.0 P000098 MW > 999.0 P000100 MW > 999.0 P000101 MW > 999.0 P000102 MW > 999.0 P000103 MW > 999.0 P000104 MW > 999.0 P000106 MW > 999.0 P000108 MW > 999.0 Line #397 Failed to load mol Line #398 Failed to load mol P000115 MW > 999.0 P000118 MW > 999.0 P000119 MW > 999.0 P000120 MW > 999.0 P000122 MW > 999.0 P000125 MW > 999.0 P000126 MW > 999.0 P000127 MW > 999.0 P000131 MW > 999.0 P000132 MW > 999.0 P000137 MW > 999.0 P000140 MW > 999.0 P000142 MW > 999.0 P000143 MW > 999.0 P000146 MW > 999.0 P000147 MW > 999.0 P000150 MW > 999.0 P000152 MW > 999.0 P000153 MW > 999.0 P000154 MW > 999.0 P000157 MW > 999.0 P000159 MW > 999.0 P000162 MW > 999.0 P000163 MW > 999.0 P000165 MW > 999.0 P000166 MW > 999.0 P000167 MW > 999.0 P000171 MW > 999.0 P000174 MW > 999.0 P000175 MW > 999.0 P000178 MW > 999.0 P000180 MW > 999.0 P000182 MW > 999.0 P000184 MW > 999.0 P000185 MW > 999.0 P000186 MW > 999.0 P000187 MW > 999.0 P000188 MW > 999.0 P000191 MW > 999.0 P000197 MW > 999.0 P000198 MW > 999.0 P000200 MW > 999.0 P000201 MW > 999.0 P000202 MW > 999.0 P000203 MW > 999.0 P000204 MW > 999.0 P000205 MW > 999.0 P000209 MW > 999.0 P000211 MW > 999.0 P000212 MW > 999.0 P000213 MW > 999.0 Line #461 Failed to load mol P000216 MW > 999.0 P000217 MW > 999.0 P000218 MW > 999.0 P000227 MW > 999.0 P000229 MW > 999.0 P000233 MW > 999.0 P000234 MW > 999.0 P000236 MW > 999.0 P000239 MW > 999.0 Line #477 Failed to load mol P000245 MW > 999.0 P000246 MW > 999.0 Line #481 Failed to load mol P000249 MW > 999.0 Line #485 Failed to load mol P000254 MW > 999.0 P000255 MW > 999.0 P000256 MW > 999.0 P000257 MW > 999.0 P000260 MW > 999.0 P000261 MW > 999.0 P000262 MW > 999.0 P000263 MW > 999.0 Line #494 Failed to load mol P000265 MW > 999.0 Line #496 Failed to load mol P000267 MW > 999.0 Line #498 Failed to load mol P000271 MW > 999.0 M137440 unacceptable_atom Mn M137494 unacceptable_atom Hg M137544 MW > 999.0 M137555 MW > 999.0 M137814 MW > 999.0 M031648 MW > 999.0 R029590 sss > 0 R029673 ps > 0 R029710 unacceptable_atom Os R029846 no_acceptable_nonsalt_component R030053 unacceptable_atom As R030055 unacceptable_atom As R030152 MW < 50.0 R030188 MW < 50.0 R030221 unacceptable_atom Fe R030431 no_acceptable_nonsalt_component R030436 MW < 50.0 R069290 ps > 0 R069336 ps > 0 R069338 ps > 0 R069349 ps > 0 R069367 ps > 0 R069368 ps > 0 R069378 ps > 0 R069382 ps > 0 R069412 ps > 0 R069464 MW < 50.0 R069482 unacceptable_atom As R069484 ps > 0 R069510 MW < 50.0 R069521 unacceptable_atom As R069534 ps > 0 R069571 no_acceptable_nonsalt_component R069593 ps > 0 R069607 ps > 0 R069629 ps > 0 R069640 ps > 0 R069648 unacceptable_atom Hg R069649 unacceptable_atom Hg R069652 unacceptable_atom Hg R069675 ps > 0 R069677 ps > 0 R069690 ps > 0 R069694 unacceptable_atom As R069698 ps > 0 R069705 ps > 0 R069726 unacceptable_atom Tl R069727 ps > 0 R069744 ps > 0 R069821 ps > 0 R069825 ps > 0 M026775 MW > 999.0 M026801 MW > 999.0 M026809 non-hydrogen_atoms < 4 M026834 MW > 999.0 M026892 MW > 999.0 M026903 MW > 999.0 M026974 MW > 999.0 Line #159 Failed to load mol M027020 MW > 999.0 M027043 MW > 999.0 M027076 MW > 999.0 M027104 MW > 999.0 M027124 MW > 999.0 M027210 MW > 999.0 M027261 MW > 999.0 M027263 ps > 0 M027265 MW > 999.0 M027310 MW > 999.0 M027341 MW > 999.0 M027343 MW > 999.0 M027357 MW > 999.0 M027372 ps > 0 M027413 MW > 999.0 M027414 ps > 0 M027448 MW > 999.0 M027478 unacceptable_atom Rh M051704 MW < 50.0 M051738 non-hydrogen_atoms < 4 M051747 unacceptable_atom Ba M051757 MW < 50.0 M051759 unacceptable_atom Cr M051786 unacceptable_atom Co M051787 unacceptable_atom Er M051788 MW > 999.0 M051794 non-hydrogen_atoms < 4 M051799 no_acceptable_nonsalt_component M051814 MW < 50.0 M051815 unacceptable_atom Al M051819 unacceptable_atom Tl M051821 unacceptable_atom Nd M051822 unacceptable_atom Fe M051824 MW < 50.0 M051828 unacceptable_atom Zr M051839 ps > 0 M051840 MW < 50.0 M051860 unacceptable_atom Nb M051871 unacceptable_atom La M051884 unacceptable_atom Be M051902 unacceptable_atom As M051908 unacceptable_atom Mn M051911 unacceptable_atom V M051912 unacceptable_atom Nb,Te M051917 MW < 50.0 M051919 unacceptable_atom W M051922 MW < 50.0 M051942 unacceptable_atom Gd M051946 unacceptable_atom Ge M051955 non-hydrogen_atoms < 4 M051977 unacceptable_atom Se M051985 unacceptable_atom Te M051988 unacceptable_atom Mo M051993 MW < 50.0 M052004 unacceptable_atom As M052019 unacceptable_atom Se M052031 unacceptable_atom Cr M052038 unacceptable_atom As M052047 non-hydrogen_atoms < 4 M052048 unacceptable_atom Ni M052058 unacceptable_atom Ge,As M052066 unacceptable_atom Ni M052080 unacceptable_atom Zr M052082 unacceptable_atom Al M052088 unacceptable_atom Al M052090 unacceptable_atom Cr M052105 unacceptable_atom Nb M052108 unacceptable_atom Rh M052111 ps > 0 M052115 unacceptable_atom Hg M052117 unacceptable_atom Al M052127 unacceptable_atom Mo M052130 MW > 999.0 M052149 MW > 999.0 M052159 unacceptable_atom W M052207 unacceptable_atom Cr M052208 unacceptable_atom Pt M052212 unacceptable_atom Te M052216 MW > 999.0 M052217 unacceptable_atom Ta,Pb M052252 unacceptable_atom Cr M052253 unacceptable_atom W M052259 unacceptable_atom Sb M052267 validation_error Explicit valence for atom # 1 Br, 3, is greater than permitted M052289 unacceptable_atom Mo M052292 unacceptable_atom Fe M052296 MW < 50.0 M052317 MW < 50.0 M052318 unacceptable_atom Rb M052332 unacceptable_atom Ba M052352 unacceptable_atom Al M052361 unacceptable_atom La M052367 MW < 50.0 M052373 unacceptable_atom Al,Ti M052389 unacceptable_atom Al M052402 unacceptable_atom Se M052409 unacceptable_atom Po M052416 MW > 999.0 M052433 unacceptable_atom Ge M052441 unacceptable_atom Ti M052442 unacceptable_atom Bi R017109 ps > 0 R017114 ps > 0 R017120 ps > 0 R017121 ps > 0 R017124 ps > 0 R017141 ps > 0 R017145 ps > 0 R017147 ps > 0 R017158 ps > 0 R017194 unacceptable_atom Se R017227 sss > 0 R017617 MW > 999.0 R017631 unacceptable_atom Cu R017657 MW > 999.0 R017726 MW < 50.0 R017811 ps > 0 M307158 ps > 0 M307384 ps > 0 M307408 ps > 0 M093174 MW > 999.0 M093184 MW > 999.0 M093273 MW > 999.0 M093284 MW > 999.0 M093339 MW > 999.0 M093371 MW > 999.0 M093407 unacceptable_atom Al M093470 MW > 999.0 M093500 MW > 999.0 M093560 MW > 999.0 M093568 MW > 999.0 M093574 MW > 999.0 M093581 unacceptable_atom As M093583 MW > 999.0 M093650 MW > 999.0 M093753 MW > 999.0 M093764 MW > 999.0 M093781 MW > 999.0 M093786 unacceptable_atom Se M093831 ps > 0 M080014 unacceptable_atom Pt M080015 unacceptable_atom Gd M080034 unacceptable_atom Yb M080054 unacceptable_atom Rh M080098 ps > 0 M080149 ps > 0 M080348 unacceptable_atom Pt M080451 unacceptable_atom Hg M080489 MW < 50.0 M080500 MW < 50.0 M080532 MW < 50.0 M080590 unacceptable_atom W M080609 unacceptable_atom Tm R004899 unacceptable_atom Se R004901 unacceptable_atom Se R005331 MW > 999.0 R005345 validation_error Explicit valence for atom # 71 Cl, 3, is greater than permitted R005347 MW > 999.0 M050223 MW < 50.0 M050233 ps > 0 M050237 unacceptable_atom Hg M050248 unacceptable_atom Ge M050311 unacceptable_atom Ni,Se M050320 unacceptable_atom Sb,Te M050342 unacceptable_atom As M050384 unacceptable_atom Ge M050387 unacceptable_atom Al M050394 unacceptable_atom Cu M050416 MW < 50.0 M050433 unacceptable_atom Fe M050462 unacceptable_atom Se,Fe M050477 unacceptable_atom Fe M050504 unacceptable_atom Pt M050549 unacceptable_atom Ge M050582 unacceptable_atom Tl M050614 unacceptable_atom Cr M050615 MW < 50.0 M050619 unacceptable_atom Al M050626 unacceptable_atom Pb M050649 unacceptable_atom As M050653 unacceptable_atom Se M050697 unacceptable_atom Sb M050699 unacceptable_atom Cd M050706 unacceptable_atom Sb M050720 MW < 50.0 M050726 unacceptable_atom Ti M050742 ps > 0 M050747 unacceptable_atom As M050769 unacceptable_atom Cu M050772 unacceptable_atom Al M050781 unacceptable_atom Al M050791 no_acceptable_nonsalt_component M050812 MW > 999.0 M050876 MW > 999.0 M050907 unacceptable_atom Se M050915 unacceptable_atom Se M316079 unacceptable_atom Se M086447 ps > 0 M086470 unacceptable_atom Sb M086514 unacceptable_atom Re M086547 unacceptable_atom Pb M086604 non-hydrogen_atoms < 4 M086609 unacceptable_atom U M086637 MW < 50.0 M086682 unacceptable_atom V M086684 unacceptable_atom Se M086692 MW < 50.0 M086752 unacceptable_atom Te M086780 non-hydrogen_atoms < 4 M086805 unacceptable_atom As M086836 ps > 0 M086920 unacceptable_atom Pb M086931 ps > 0 M086959 unacceptable_atom As M086960 MW < 50.0 M086984 ps > 0 M087032 MW < 50.0 M087044 no_acceptable_nonsalt_component M042969 MW > 999.0 M043018 MW > 999.0 M043043 MW > 999.0 M043113 MW > 999.0 M043121 MW > 999.0 M043161 unacceptable_atom Ga M043206 MW > 999.0 M043324 MW > 999.0 A000141 MW > 999.0 A000128 ps > 0 R000053 unacceptable_atom Cs R000356 MW > 999.0 R000410 unacceptable_atom Se R000416 non-hydrogen_atoms < 4 M090663 ps > 0 M090692 MW > 999.0 M090739 MW > 999.0 M090759 MW > 999.0 M090763 MW > 999.0 M090777 MW > 999.0 M090846 MW > 999.0 M090891 MW > 999.0 M090892 MW > 999.0 M090923 MW > 999.0 M090928 MW > 999.0 R018687 MW < 50.0 R018868 MW > 999.0 R019014 non-hydrogen_atoms < 4 Line #223 Failed to load mol R019104 unacceptable_atom Mn R019339 MW > 999.0 R019461 no_acceptable_nonsalt_component M055315 MW < 50.0 M055318 unacceptable_atom Sr M055328 unacceptable_atom Cd M055335 unacceptable_atom Tl M055339 unacceptable_atom Cr M055343 MW < 50.0 M055348 unacceptable_atom Co M055352 unacceptable_atom Yb M055372 unacceptable_atom Pt M055380 unacceptable_atom Ti M055391 non-hydrogen_atoms < 4 M055406 unacceptable_atom Cr M055412 unacceptable_atom Mo M055416 unacceptable_atom Ti M055426 unacceptable_atom In M055436 MW > 999.0 M055439 unacceptable_atom Sb M055456 MW < 50.0 M055522 unacceptable_atom Sm M055533 unacceptable_atom As M055535 no_acceptable_nonsalt_component M055540 MW < 50.0 M055541 unacceptable_atom Co M055543 unacceptable_atom Tm M055544 unacceptable_atom Fe M055550 no_acceptable_nonsalt_component M055551 unacceptable_atom W M055559 unacceptable_atom Ga M055575 no_acceptable_nonsalt_component M055582 unacceptable_atom Cu M055586 unacceptable_atom Mn M055612 MW < 50.0 M055625 unacceptable_atom Ba M055645 MW < 50.0 M055648 MW < 50.0 M055650 unacceptable_atom Fe M055653 no_acceptable_nonsalt_component M055663 non-hydrogen_atoms < 4 M055664 unacceptable_atom Ni M055666 unacceptable_atom Fe M055670 unacceptable_atom Co M055676 MW < 50.0 M055680 unacceptable_atom Re M055681 MW < 50.0 M055687 unacceptable_atom Ta M055699 validation_error Explicit valence for atom # 1 Xe, 6, is greater than permitted M055710 no_acceptable_nonsalt_component M055712 unacceptable_atom Fe M055714 non-hydrogen_atoms < 4 M055717 unacceptable_atom Al M055731 unacceptable_atom Te M055738 unacceptable_atom Ne M055742 unacceptable_atom Hg M055768 unacceptable_atom Ge M055769 MW < 50.0 M055791 unacceptable_atom Mn M055799 unacceptable_atom Cr M055809 unacceptable_atom V M055814 unacceptable_atom V M055824 MW > 999.0 M055833 no_acceptable_nonsalt_component M055837 unacceptable_atom Mn M055848 unacceptable_atom Se M055851 unacceptable_atom Pm M055858 unacceptable_atom Dy M055860 unacceptable_atom Mo M055875 no_acceptable_nonsalt_component M055883 MW > 999.0 M055889 unacceptable_atom As,Tb M055897 unacceptable_atom Sb,Pb M055898 unacceptable_atom Ti M055952 non-hydrogen_atoms < 4 M055953 unacceptable_atom Y M055966 unacceptable_atom Eu M055973 unacceptable_atom Co M055995 unacceptable_atom Mo M056007 non-hydrogen_atoms < 4 M056008 unacceptable_atom Cr M056015 unacceptable_atom Fe M056033 unacceptable_atom Rh M056035 unacceptable_atom V R013656 MW < 50.0 R013856 unacceptable_atom Se R014059 MW > 999.0 R014062 MW > 999.0 R014362 no_acceptable_nonsalt_component R014456 MW > 999.0 M040268 MW > 999.0 M040283 unacceptable_atom Al M040296 MW > 999.0 M040350 MW > 999.0 M040363 MW > 999.0 M040460 MW > 999.0 M040464 MW > 999.0 M040599 MW > 999.0 M040831 MW > 999.0 R002997 MW > 999.0 Line #185 Failed to load mol R003328 unacceptable_atom Se R003724 MW > 999.0 M164612 ps > 0 R008749 MW > 999.0 M047139 ps > 0 M047147 unacceptable_atom Ge M047180 MW > 999.0 M047184 unacceptable_atom Hg M047185 no_acceptable_nonsalt_component M047189 unacceptable_atom V M047192 sss > 0 M047200 unacceptable_atom Pb M047208 MW < 50.0 M047235 unacceptable_atom Se M047239 unacceptable_atom Al M047254 ps > 0 M047274 MW < 50.0 M047288 unacceptable_atom Pb M047290 unacceptable_atom Se M047355 unacceptable_atom Te,Zn M047365 ps > 0 M047369 unacceptable_atom In,Te M047380 unacceptable_atom Sb M047388 MW < 50.0 M047409 MW < 50.0 M047413 unacceptable_atom Ge M047432 unacceptable_atom Ce M047433 unacceptable_atom Se,As M047452 unacceptable_atom La M047486 unacceptable_atom Eu M047492 unacceptable_atom Al M047520 MW > 999.0 M047568 unacceptable_atom Au M047576 unacceptable_atom Cu P000037 MW > 999.0 M047643 unacceptable_atom Pb M047670 unacceptable_atom Tm M047672 MW < 50.0 M047688 unacceptable_atom Al M047708 unacceptable_atom Hg M047732 unacceptable_atom Co M047734 unacceptable_atom Sb M047754 unacceptable_atom Se,Mn M047771 unacceptable_atom Pt M047803 unacceptable_atom Ge M047816 unacceptable_atom Hg M082575 non-hydrogen_atoms < 4 M082578 unacceptable_atom Pb M082609 ps > 0 M082629 unacceptable_atom Sb M082636 ps > 0 M082642 no_acceptable_nonsalt_component M082659 unacceptable_atom Te M082664 MW < 50.0 M082700 MW < 50.0 M082745 ps > 0 M082799 MW < 50.0 M082869 non-hydrogen_atoms < 4 M082907 ps > 0 M082937 unacceptable_atom Al M082962 unacceptable_atom As M083006 unacceptable_atom Se M083011 unacceptable_atom Al M083023 unacceptable_atom Os M083093 unacceptable_atom Y M083105 unacceptable_atom Hf M083162 non-hydrogen_atoms < 4 M083175 unacceptable_atom Ce M083177 ps > 0 M161533 sss > 0 I013410 MW > 999.0 I013411 MW > 999.0 I013413 MW < 50.0 I013417 MW > 999.0 I013418 MW > 999.0 I013419 MW > 999.0 I013420 MW > 999.0 I013423 MW > 999.0 I013426 MW > 999.0 I013427 MW > 999.0 I013431 MW > 999.0 I013432 MW > 999.0 I013433 MW > 999.0 I013434 MW > 999.0 I013447 MW > 999.0 I013498 MW > 999.0 I013500 MW > 999.0 I013641 MW > 999.0 I013642 MW > 999.0 I013643 MW > 999.0 I013644 MW > 999.0 I013646 MW > 999.0 I013648 MW > 999.0 I013682 MW > 999.0 I013683 MW > 999.0 I013749 MW > 999.0 I013750 MW > 999.0 I013816 MW > 999.0 I013825 unacceptable_atom Hg I013830 MW > 999.0 I013879 MW > 999.0 I013897 MW > 999.0 I013964 MW > 999.0 I013965 MW > 999.0 I013966 MW > 999.0 Line #421 Failed to load mol R045267 ps > 0 R045301 non-hydrogen_atoms < 4 R045308 unacceptable_atom Mn R045312 unacceptable_atom Cu R045373 unacceptable_atom Pd R045599 non-hydrogen_atoms < 4 R045622 MW < 50.0 R045658 MW > 999.0 R045687 ps > 0 R045691 ps > 0 R046066 MW > 999.0 R046068 MW > 999.0 R046083 MW > 999.0 Line #424 Failed to load mol I007686 unacceptable_atom Na I007725 MW > 999.0 I007868 unacceptable_atom Na I007903 MW > 999.0 I007918 isotopes2h > 0 I007925 MW > 999.0 I007958 unacceptable_atom Hg Line #256 Failed to load mol Line #330 Failed to load mol I008175 unacceptable_atom Sb I008188 unacceptable_atom Na I008218 MW > 999.0 I008223 MW > 999.0 I008257 ps > 0 I008285 MW > 999.0 R037138 unacceptable_atom Hg M037664 MW > 999.0 M037792 MW > 999.0 M037900 MW > 999.0 M037960 MW > 999.0 M037983 ps > 0 M038112 MW > 999.0 M038115 ps > 0 M038214 MW > 999.0 R023699 unacceptable_atom Bi R023722 unacceptable_atom Bi R023728 MW > 999.0 R023769 ps > 0 R023874 unacceptable_atom Sr R023919 unacceptable_atom Pd R024409 MW > 999.0 R024411 MW > 999.0 M023911 MW > 999.0 M023947 MW > 999.0 M023972 unacceptable_atom Hg M023977 MW > 999.0 M023987 MW > 999.0 M023989 MW > 999.0 M024068 MW > 999.0 M024098 MW > 999.0 M024104 unacceptable_atom Al M024165 MW > 999.0 M024186 MW > 999.0 M024231 MW > 999.0 M024265 MW > 999.0 M024292 MW > 999.0 M024294 unacceptable_atom As M024324 ps > 0 M024325 unacceptable_atom Fe M024400 MW > 999.0 M024452 unacceptable_atom Pt M024460 MW > 999.0 M024475 MW > 999.0 M024557 MW > 999.0 M024571 unacceptable_atom Te Line #22 Failed to load mol Line #103 Failed to load mol Line #132 Failed to load mol Line #244 Failed to load mol I000779 MW > 999.0 I000840 unacceptable_atom Au I001113 MW > 999.0 I001130 MW > 999.0 I001135 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted Line #405 Failed to load mol I001378 MW > 999.0 Line #454 Failed to load mol Line #468 Failed to load mol Line #485 Failed to load mol I001504 isotopes2h > 0 R065019 isotopes2h > 0 R065031 isotopes2h > 0 R065079 MW > 999.0 R065080 MW > 999.0 R065081 MW > 999.0 R065082 MW > 999.0 R065102 isotopes2h > 0 R065104 isotopes2h > 0 R065150 MW > 999.0 R065173 ps > 0 R065220 isotopes2h > 0 R065226 isotopes2h > 0 R065228 isotopes2h > 0 R065285 MW > 999.0 R065298 isotopes2h > 0 R065474 isotopes2h > 0 R065478 isotopes2h > 0 R065479 isotopes2h > 0 R065480 isotopes2h > 0 R065482 isotopes2h > 0 R065504 isotopes13c > 0 Line #282 Failed to load mol R065530 MW > 999.0 R065538 isotopes2h > 0 R065554 isotopes13c > 0 R065555 isotopes2h > 0 Line #301 Failed to load mol R065564 MW > 999.0 R065565 MW > 999.0 Line #305 Failed to load mol Line #306 Failed to load mol Line #320 Failed to load mol R065621 isotopes2h > 0 R065622 isotopes13c > 0 R065636 unacceptable_atom Se R065669 isotopes13c > 0 R065705 isotopes2h > 0 Line #374 Failed to load mol R065712 isotopes2h > 0 R065716 isotopes2h > 0 R065717 isotopes2h > 0 R065744 isotopes2h > 0 R065750 isotopes2h > 0 R065760 isotopes2h > 0 R065762 isotopes2h > 0 R065777 isotopes2h > 0 R065793 isotopes2h > 0 R065795 isotopes2h > 0 R065797 isotopes2h > 0 R065848 isotopes2h > 0 R065850 isotopes2h > 0 R065852 isotopes2h > 0 R065887 isotopes2h > 0 R066002 isotopes2h > 0 R066009 isotopes2h > 0 R066064 isotopes2h > 0 R066116 isotopes2h > 0 R066117 isotopes2h > 0 M342339 ps > 0 M028308 MW > 999.0 M028390 MW > 999.0 M028392 unacceptable_atom As M028414 MW > 999.0 M028425 MW > 999.0 M028475 MW > 999.0 M028478 MW > 999.0 M028515 MW > 999.0 M028534 MW > 999.0 M028555 MW > 999.0 M028628 MW > 999.0 M028647 MW > 999.0 M028676 MW > 999.0 M028679 MW > 999.0 M028725 MW > 999.0 M028784 unacceptable_atom Ir M028785 MW < 50.0 M028879 MW > 999.0 M028892 MW > 999.0 M028956 MW > 999.0 M028994 MW > 999.0 R034900 no_acceptable_nonsalt_component R035083 no_acceptable_nonsalt_component R035237 unacceptable_atom Au R035797 ps > 0 M140277 unacceptable_atom Cr M140303 MW > 999.0 M140675 MW > 999.0 M140732 MW > 999.0 M140754 unacceptable_atom Co M076816 no_acceptable_nonsalt_component M076817 ps > 0 M076890 unacceptable_atom Sb M076910 unacceptable_atom Tl M076938 MW < 50.0 M076972 unacceptable_atom Se M076974 unacceptable_atom Cr M076984 unacceptable_atom Cu M077002 unacceptable_atom Rh M077094 unacceptable_atom Pb M077109 unacceptable_atom Se M077171 ps > 0 M077181 unacceptable_atom Hg M077183 MW < 50.0 M077184 non-hydrogen_atoms < 4 M077204 unacceptable_atom Re M077233 MW < 50.0 M077251 non-hydrogen_atoms < 4 M077306 unacceptable_atom Cu M077340 MW < 50.0 M077353 unacceptable_atom Ge M077416 unacceptable_atom Se M114964 MW > 999.0 M114981 MW > 999.0 M115028 unacceptable_atom As M115044 MW > 999.0 M115087 MW > 999.0 M115327 ps > 0 M115378 MW > 999.0 M115480 ps > 0 M115482 MW > 999.0 M115483 non-hydrogen_atoms < 4 M115509 MW > 999.0 M115522 unacceptable_atom As M115553 MW > 999.0 M115561 MW > 999.0 M110441 MW > 999.0 M110451 MW > 999.0 M110488 unacceptable_atom Se M110518 unacceptable_atom Sb M110541 validation_error Explicit valence for atom # 23 Sn, 6, is greater than permitted M110574 unacceptable_atom Y M110592 no_acceptable_nonsalt_component M110597 MW > 999.0 M110618 MW > 999.0 M110657 MW > 999.0 M110712 MW > 999.0 M110770 MW > 999.0 M110830 MW > 999.0 M110833 unacceptable_atom Se M110840 MW > 999.0 M110970 MW > 999.0 M110997 MW > 999.0 M101534 MW > 999.0 M101537 MW > 999.0 M101585 MW > 999.0 M101603 MW > 999.0 M101645 MW > 999.0 M101662 MW > 999.0 M101764 MW > 999.0 M101769 MW > 999.0 M101793 MW > 999.0 M101885 MW > 999.0 M101907 MW > 999.0 M101972 MW > 999.0 M101994 MW > 999.0 M102014 MW > 999.0 M102087 MW > 999.0 M102101 MW > 999.0 M102127 MW > 999.0 M102141 MW > 999.0 M102150 MW > 999.0 M102155 MW > 999.0 M102158 MW > 999.0 M102194 MW > 999.0 M102200 MW > 999.0 M066294 unacceptable_atom Mn,Se M066300 unacceptable_atom Mn M066312 unacceptable_atom Ti M066317 unacceptable_atom Nd M066319 MW > 999.0 M066329 unacceptable_atom Sb M066338 no_acceptable_nonsalt_component M066365 unacceptable_atom Co M066379 unacceptable_atom Bi,Ti M066403 sss > 0 M066404 no_acceptable_nonsalt_component M066415 MW < 50.0 M066426 unacceptable_atom Sm M066428 unacceptable_atom Te,Ge M066434 MW < 50.0 M066437 no_acceptable_nonsalt_component M066438 non-hydrogen_atoms < 4 M066443 unacceptable_atom As,Tl M066447 unacceptable_atom Ir M066483 unacceptable_atom As M066487 MW < 50.0 M066492 MW < 50.0 M066505 unacceptable_atom V M066509 unacceptable_atom Al M066516 non-hydrogen_atoms < 4 M066521 unacceptable_atom Cu M066540 unacceptable_atom Ga M066559 unacceptable_atom Se M066564 MW < 50.0 M066570 no_acceptable_nonsalt_component M066580 unacceptable_atom Hg M066582 MW < 50.0 M066584 unacceptable_atom Mn M066591 MW < 50.0 M066592 unacceptable_atom W M066599 non-hydrogen_atoms < 4 M066612 unacceptable_atom Al M066636 unacceptable_atom Cr M066643 unacceptable_atom Ce M066656 unacceptable_atom Zr M066661 unacceptable_atom Te,Mo M066666 unacceptable_atom V M066668 unacceptable_atom Ge M066678 non-hydrogen_atoms < 4 M066682 non-hydrogen_atoms < 4 M066710 no_acceptable_nonsalt_component M066724 ps > 0 M066735 unacceptable_atom Er M066740 MW < 50.0 M066757 non-hydrogen_atoms < 4 M066770 unacceptable_atom Mo M066778 unacceptable_atom Al M066781 unacceptable_atom As M066792 unacceptable_atom Cd M066795 unacceptable_atom Sb M066798 unacceptable_atom Y M066811 unacceptable_atom As M066822 unacceptable_atom Cr M066824 no_acceptable_nonsalt_component M066832 MW > 999.0 M066834 MW < 50.0 M066855 unacceptable_atom V M066864 unacceptable_atom V M066867 unacceptable_atom Ga M066871 validation_error Explicit valence for atom # 7 Si, 8, is greater than permitted M066882 unacceptable_atom Nb M066883 unacceptable_atom As M066884 unacceptable_atom Mn M066888 unacceptable_atom W M066912 unacceptable_atom Ti M066916 unacceptable_atom Ta M066923 unacceptable_atom Ag M066925 unacceptable_atom Sm M106080 MW > 999.0 M106116 MW > 999.0 M106139 MW > 999.0 M106198 MW > 999.0 M106252 MW > 999.0 M106256 MW > 999.0 M106295 MW > 999.0 M106298 MW > 999.0 M106304 MW > 999.0 M106309 unacceptable_atom Se M106343 MW > 999.0 M106373 MW > 999.0 M106376 MW > 999.0 M106437 MW > 999.0 M106482 MW > 999.0 M106502 MW > 999.0 M106509 MW > 999.0 M106581 MW > 999.0 M106592 unacceptable_atom As M106609 MW > 999.0 M106614 MW > 999.0 M106620 MW > 999.0 M106627 MW > 999.0 M106652 MW > 999.0 M106662 MW > 999.0 M106683 MW > 999.0 M106801 MW > 999.0 M106805 unacceptable_atom Zn M061701 unacceptable_atom Al M061702 unacceptable_atom Sr M061719 unacceptable_atom Cr M061720 unacceptable_atom Se M061723 non-hydrogen_atoms < 4 M061727 unacceptable_atom Cr M061740 unacceptable_atom Pb M061764 no_acceptable_nonsalt_component M061783 unacceptable_atom Te M061792 unacceptable_atom Al M061805 MW > 999.0 M061812 unacceptable_atom Re M061822 sss > 0 M061831 unacceptable_atom Se M061833 unacceptable_atom Mn M061853 unacceptable_atom Ba M061866 non-hydrogen_atoms < 4 M061887 unacceptable_atom Ti M061902 ps > 0 M061905 unacceptable_atom V M061908 unacceptable_atom Re M061914 unacceptable_atom Hf M061927 unacceptable_atom As M061934 MW < 50.0 M061942 unacceptable_atom Tb M061945 unacceptable_atom Te,K M061952 unacceptable_atom Sm M061953 no_acceptable_nonsalt_component M061955 unacceptable_atom Al M061980 unacceptable_atom Mo M061985 unacceptable_atom As,K M062002 unacceptable_atom Nb M062004 MW < 50.0 M062008 unacceptable_atom Ti M062027 MW < 50.0 M062036 unacceptable_atom Ge M062062 unacceptable_atom Se M062077 unacceptable_atom As M062095 unacceptable_atom Ti M062100 unacceptable_atom Mo M062104 unacceptable_atom Te,Rb M062106 unacceptable_atom V M062107 unacceptable_atom Pt M062108 MW < 50.0 M062118 unacceptable_atom Sr M062131 MW < 50.0 M062158 ps > 0 M062167 unacceptable_atom Pu M062184 unacceptable_atom Ni M062221 MW < 50.0 M062228 MW < 50.0 M062229 unacceptable_atom La M062230 unacceptable_atom V M062242 unacceptable_atom Pt M062269 unacceptable_atom Zn M062274 unacceptable_atom Te,Fe M062291 unacceptable_atom Fe M062293 unacceptable_atom Mn M062294 unacceptable_atom V M062296 ps > 0 M062321 unacceptable_atom Ga M062332 MW < 50.0 M062339 unacceptable_atom Mo M062355 non-hydrogen_atoms < 4 M062359 unacceptable_atom Sb M062371 unacceptable_atom Hg M062378 unacceptable_atom Fe M062394 unacceptable_atom Mo M062398 no_acceptable_nonsalt_component M062400 unacceptable_atom Mo M062404 ps > 0 M062436 unacceptable_atom Mo M062437 unacceptable_atom Al M062449 unacceptable_atom Fe M062459 unacceptable_atom Te,Ta R063302 unacceptable_atom As R063306 unacceptable_atom As R063480 ps > 0 R063498 ps > 0 R063979 no_acceptable_nonsalt_component R063984 unacceptable_atom Ru R063993 ps > 0 R064050 MW < 50.0 R064078 unacceptable_atom Cr R064117 ps > 0 M017480 ps > 0 M017520 ps > 0 M017531 MW > 999.0 M017549 MW > 999.0 M017600 MW > 999.0 M017647 MW > 999.0 M017691 MW > 999.0 M017741 MW > 999.0 M017773 MW > 999.0 M017801 MW > 999.0 M017811 MW > 999.0 M017880 MW > 999.0 M017932 unacceptable_atom Cu M017956 MW > 999.0 M017964 MW > 999.0 M017970 MW > 999.0 M018053 MW > 999.0 M018066 MW > 999.0 M018127 MW > 999.0 M018133 MW > 999.0 M135050 MW > 999.0 M135222 MW > 999.0 Line #233 Failed to load mol M135480 MW > 999.0 M135524 MW > 999.0 M003378 MW > 999.0 M003455 MW > 999.0 M003466 unacceptable_atom Se M003637 MW > 999.0 M003664 unacceptable_atom Te M003778 MW > 999.0 M127710 MW < 50.0 M127769 unacceptable_atom Se M127788 MW > 999.0 M127972 MW > 999.0 M127988 ps > 0 M127999 MW > 999.0 M128007 MW > 999.0 M128020 unacceptable_atom Mn M128066 MW > 999.0 M128146 MW < 50.0 M128181 unacceptable_atom Pb M119361 no_acceptable_nonsalt_component M119378 unacceptable_atom Se M119485 no_acceptable_nonsalt_component M119501 MW < 50.0 M119529 unacceptable_atom Al M119560 unacceptable_atom Pd M119634 unacceptable_atom Co M119641 ps > 0 M119661 unacceptable_atom Ge M119666 unacceptable_atom Cr M119675 unacceptable_atom As M119678 unacceptable_atom Pb M119687 unacceptable_atom Mo M119690 MW > 999.0 M119716 unacceptable_atom Pb M119720 sss > 0 M119782 MW < 50.0 M119796 no_acceptable_nonsalt_component M119827 unacceptable_atom Hg M119847 unacceptable_atom Te M119857 unacceptable_atom Cr M119872 unacceptable_atom Tl M119873 non-hydrogen_atoms < 4 M119906 ps > 0 M119916 no_acceptable_nonsalt_component M119918 MW < 50.0 M119936 no_acceptable_nonsalt_component M119973 ps > 0 M119997 unacceptable_atom Pb M120016 ps > 0 M120028 unacceptable_atom Ti M120029 unacceptable_atom Se M010735 unacceptable_atom Ge M010756 MW > 999.0 M010785 MW > 999.0 M010794 MW > 999.0 M010894 no_acceptable_nonsalt_component M010912 MW > 999.0 M010919 MW > 999.0 M011021 unacceptable_atom Sc M011041 unacceptable_atom Se M011085 MW > 999.0 M011123 unacceptable_atom Hg M011161 MW > 999.0 M011263 MW > 999.0 M011326 MW > 999.0 M011337 unacceptable_atom Se M011391 MW > 999.0 R057375 MW > 999.0 Line #110 Failed to load mol Line #117 Failed to load mol R057438 ps > 0 R057492 ps > 0 R057493 ps > 0 R057907 no_acceptable_nonsalt_component R058031 MW < 50.0 R058111 MW < 50.0 M126288 MW > 999.0 M126384 MW > 999.0 M126410 MW > 999.0 M126426 MW > 999.0 M126453 MW > 999.0 M126583 MW > 999.0 M126623 MW > 999.0 M126761 MW < 50.0 M126828 MW > 999.0 M126913 unacceptable_atom Dy R052308 ps > 0 R052309 ps > 0 R052418 sss > 0 R054916 ps > 0 R054927 unacceptable_atom As R054940 unacceptable_atom As R055006 non-hydrogen_atoms < 4 R055008 non-hydrogen_atoms < 4 R055105 MW > 999.0 R055218 no_acceptable_nonsalt_component R055285 unacceptable_atom Hg R055428 unacceptable_atom Cd M012812 unacceptable_atom In M012859 MW > 999.0 M012955 MW > 999.0 M012990 unacceptable_atom Se M013045 MW > 999.0 M013055 unacceptable_atom Ag M013057 unacceptable_atom Ni M013103 unacceptable_atom At M013134 MW > 999.0 M013177 MW > 999.0 M013220 MW > 999.0 M013287 MW > 999.0 M013303 MW > 999.0 M013396 MW > 999.0 M013418 unacceptable_atom Se M013470 no_acceptable_nonsalt_component M118633 MW > 999.0 M118695 MW > 999.0 M118753 MW > 999.0 M118813 MW > 999.0 M118843 MW > 999.0 M118858 MW > 999.0 M118883 MW > 999.0 M118890 MW > 999.0 M118940 MW > 999.0 M119003 MW > 999.0 M119023 MW > 999.0 M119042 MW < 50.0 M119053 MW > 999.0 M119150 MW > 999.0 M119165 MW > 999.0 M119174 MW > 999.0 M119215 MW > 999.0 M119220 unacceptable_atom Ge M119292 unacceptable_atom Cd M119331 unacceptable_atom Te M119355 unacceptable_atom Hg Line #89 Failed to load mol Line #95 Failed to load mol Line #101 Failed to load mol P000421 MW > 999.0 Line #215 Failed to load mol M097932 MW > 999.0 Line #218 Failed to load mol M046792 no_acceptable_nonsalt_component 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 #238 Failed to load mol Line #239 Failed to load mol Line #240 Failed to load mol Line #241 Failed to load mol Line #242 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 #266 Failed to load mol Line #270 Failed to load mol R065870 MW > 999.0 Line #295 Failed to load mol Line #299 Failed to load mol Line #300 Failed to load mol Line #301 Failed to load mol M051430 unacceptable_atom Cu I003457 MW > 999.0 R065026 MW > 999.0 M008637 unacceptable_atom Ge M008760 MW > 999.0 M008771 MW > 999.0 M008794 unacceptable_atom Re M008813 MW > 999.0 M008911 MW > 999.0 M008931 unacceptable_atom Se M009033 MW > 999.0 M009123 MW > 999.0 M009173 MW > 999.0 M009204 MW > 999.0 M009228 MW > 999.0 M122896 unacceptable_atom As M122906 unacceptable_atom La M122908 non-hydrogen_atoms < 4 M122931 MW < 50.0 M122945 unacceptable_atom Ge M122950 unacceptable_atom Se M122973 MW > 999.0 M122977 no_acceptable_nonsalt_component M122986 unacceptable_atom Pb M122990 MW < 50.0 M123056 no_acceptable_nonsalt_component M123060 ps > 0 M123091 unacceptable_atom Se M123093 unacceptable_atom Mn M123121 non-hydrogen_atoms < 4 M123127 ps > 0 M123165 unacceptable_atom Ge M123175 MW < 50.0 M123179 unacceptable_atom Se M123255 ps > 0 M123270 unacceptable_atom Al M123277 MW < 50.0 M123324 unacceptable_atom Ba M123341 unacceptable_atom As M123350 ps > 0 M123412 unacceptable_atom Er M123414 no_acceptable_nonsalt_component M123424 MW < 50.0 M123457 ps > 0 M123496 unacceptable_atom Mn M123502 unacceptable_atom Co M123523 unacceptable_atom Bi M123565 unacceptable_atom Cr M123567 non-hydrogen_atoms < 4 M123574 non-hydrogen_atoms < 4 M344033 ps > 0 M344035 ps > 0 M344038 ps > 0 M285162 ps > 0 M016743 MW > 999.0 M016750 MW > 999.0 M016766 MW > 999.0 M016767 MW > 999.0 M016777 MW > 999.0 M016787 ps > 0 M016867 MW > 999.0 M016869 MW > 999.0 M016900 MW > 999.0 M016925 MW > 999.0 M016957 MW > 999.0 M017050 MW > 999.0 M017069 ps > 0 M017092 MW < 50.0 M017124 MW > 999.0 M017138 MW > 999.0 M017148 MW > 999.0 M017283 ps > 0 M017300 MW > 999.0 M017329 MW > 999.0 M017370 MW > 999.0 M017428 MW > 999.0 R064169 MW > 999.0 R064223 non-hydrogen_atoms < 4 R064340 unacceptable_atom Bi M000145 MW > 999.0 M000201 MW > 999.0 M000290 unacceptable_atom As M000340 MW > 999.0 M000371 unacceptable_atom Co M000424 non-hydrogen_atoms < 4 M000529 MW > 999.0 M132872 MW > 999.0 M132893 MW > 999.0 M133345 MW > 999.0 M133420 unacceptable_atom Te M020989 MW > 999.0 M021033 unacceptable_atom Al M021171 MW > 999.0 M021252 unacceptable_atom Bi M021253 MW > 999.0 M021277 MW > 999.0 M021404 MW > 999.0 M021423 MW > 999.0 M021442 MW > 999.0 M021476 MW > 999.0 M021484 MW > 999.0 M021506 MW > 999.0 M021530 MW > 999.0 M021539 MW > 999.0 M021559 unacceptable_atom As M021569 MW > 999.0 M021599 unacceptable_atom Cu M021667 no_acceptable_nonsalt_component M021706 MW > 999.0 M072560 MW > 999.0 M072665 MW > 999.0 M097678 MW > 999.0 M097699 unacceptable_atom Se M097718 MW > 999.0 M097763 MW > 999.0 M097814 MW > 999.0 M097854 unacceptable_atom Mn M097953 ps > 0 M098043 MW > 999.0 M098063 unacceptable_atom Se M098070 MW > 999.0 M098082 MW > 999.0 M098138 MW > 999.0 M098150 MW > 999.0 M098230 MW > 999.0 M098345 MW > 999.0 M098361 MW > 999.0 M098425 MW > 999.0 M064000 unacceptable_atom Cr M064009 unacceptable_atom Hg M064046 unacceptable_atom Te M064069 unacceptable_atom Tb M064092 unacceptable_atom Tb M064096 MW < 50.0 M064098 unacceptable_atom Ge M064100 unacceptable_atom Ti M064102 MW < 50.0 M064107 unacceptable_atom Lu M064118 unacceptable_atom Co M064137 MW > 999.0 M064138 unacceptable_atom Al M064151 ps > 0 M064164 MW < 50.0 M064171 unacceptable_atom Ni M064172 unacceptable_atom Al M064179 MW < 50.0 M064180 unacceptable_atom In M064209 unacceptable_atom As M064224 ps > 0 M064232 MW < 50.0 M064239 MW < 50.0 M064247 MW < 50.0 M064282 unacceptable_atom Te M064283 unacceptable_atom Pd M064290 MW < 50.0 M064310 MW < 50.0 M064315 unacceptable_atom Ag M064322 unacceptable_atom Ti M064344 unacceptable_atom Zr M064351 unacceptable_atom Sb M064356 unacceptable_atom In M064369 unacceptable_atom Fe M064375 unacceptable_atom Cr M064394 unacceptable_atom Nb M064415 unacceptable_atom Co M064417 unacceptable_atom Sr M064432 unacceptable_atom Au M064434 unacceptable_atom Mn M064513 MW < 50.0 M064514 unacceptable_atom Zr M064519 unacceptable_atom Fe M064521 MW < 50.0 M064528 no_acceptable_nonsalt_component M064531 unacceptable_atom W M064535 MW > 999.0 M064543 sss > 0 M064544 unacceptable_atom Er M064552 MW < 50.0 M064563 unacceptable_atom Mo M064576 unacceptable_atom Ni M064579 unacceptable_atom W M064583 unacceptable_atom Mn M064590 no_acceptable_nonsalt_component M064595 MW < 50.0 M064597 unacceptable_atom Er M064609 unacceptable_atom V M064613 unacceptable_atom Be M064625 MW < 50.0 M064631 non-hydrogen_atoms < 4 M064653 unacceptable_atom Ag M064658 unacceptable_atom Er M064660 unacceptable_atom Zr M064661 unacceptable_atom Tm M064662 non-hydrogen_atoms < 4 M064670 ps > 0 M064672 unacceptable_atom Er M064686 unacceptable_atom Y M064690 MW < 50.0 M064691 unacceptable_atom Ga M064694 unacceptable_atom Pd M064695 unacceptable_atom Co M064706 unacceptable_atom Hf M064710 unacceptable_atom Te M105353 MW < 50.0 M105387 MW > 999.0 M105399 MW > 999.0 M105529 unacceptable_atom Al M105659 MW > 999.0 M105672 MW > 999.0 M105692 unacceptable_atom Pd M105721 MW > 999.0 M105809 MW < 50.0 M105851 MW > 999.0 M105876 MW > 999.0 M105945 MW > 999.0 M105972 MW > 999.0 M105991 unacceptable_atom Se M106043 unacceptable_atom Al M106069 ps > 0 M073687 MW > 999.0 M073766 unacceptable_atom As M073775 non-hydrogen_atoms < 4 M073803 unacceptable_atom Dy M073871 no_acceptable_nonsalt_component M073873 MW < 50.0 M073877 unacceptable_atom Se M073891 ps > 0 M073899 MW < 50.0 M073900 unacceptable_atom As M073903 MW < 50.0 M073931 unacceptable_atom Cr M073946 unacceptable_atom Ti M073976 unacceptable_atom Ce M074018 unacceptable_atom As M074051 unacceptable_atom Fe M074073 unacceptable_atom Yb M074075 unacceptable_atom Os M074100 unacceptable_atom Al M074105 pp > 0 M074136 unacceptable_atom As M074137 unacceptable_atom Ni M074198 unacceptable_atom Te M074238 MW < 50.0 M074272 unacceptable_atom Ge M112735 MW > 999.0 M112773 unacceptable_atom Zr M112789 MW > 999.0 M112814 MW > 999.0 M112844 MW > 999.0 M112895 unacceptable_atom As M112977 MW > 999.0 M112980 MW > 999.0 M113023 MW > 999.0 M113074 MW > 999.0 M113089 MW > 999.0 M113101 MW > 999.0 M113137 MW > 999.0 M113171 ps > 0 M113212 MW > 999.0 M113250 MW > 999.0 M113254 ps > 0 M113293 MW > 999.0 M113301 MW > 999.0 M113378 MW > 999.0 T000166 MW > 999.0 R067931 MW > 999.0 Line #45 Failed to load mol P000397 MW > 999.0 R068534 MW > 999.0 R068545 MW > 999.0 R068891 ps > 0 R068921 ps > 0 R068943 ps > 0 R068957 ps > 0 R068958 ps > 0 R069030 unacceptable_atom Hg M142274 MW > 999.0 M142541 MW > 999.0 M024592 MW > 999.0 M024706 MW > 999.0 M024781 MW > 999.0 M024885 MW > 999.0 M024943 MW > 999.0 M025000 unacceptable_atom Hg M025004 unacceptable_atom Al M025162 MW > 999.0 M025179 unacceptable_atom As M025181 MW > 999.0 M025243 ps > 0 M025248 MW > 999.0 R022728 MW > 999.0 R022732 no_acceptable_nonsalt_component R022762 no_acceptable_nonsalt_component R022786 no_acceptable_nonsalt_component R022918 MW < 50.0 R023209 unacceptable_atom Sr R023212 MW > 999.0 R023214 MW > 999.0 R023225 MW > 999.0 R023254 MW > 999.0 M144147 unacceptable_atom Se R000906 MW > 999.0 R001304 MW > 999.0 R001336 MW > 999.0 R001849 MW > 999.0 R001856 MW > 999.0 R002554 MW > 999.0 R002761 MW > 999.0 R002878 MW > 999.0 R006824 MW > 999.0 R006894 MW > 999.0 R006944 MW > 999.0 R006957 MW > 999.0 R006987 MW > 999.0 R007074 MW > 999.0 R007093 MW > 999.0 R007235 MW > 999.0 R007388 MW > 999.0 M144160 no_acceptable_nonsalt_component M144163 MW < 50.0 M144198 unacceptable_atom Ga M144231 unacceptable_atom Ge I011476 MW > 999.0 I011477 MW > 999.0 I011492 ps > 0 I011512 MW > 999.0 I011516 MW > 999.0 I011726 MW > 999.0 I011732 unacceptable_atom Mo I011803 MW > 999.0 P000354 MW > 999.0 I011837 MW > 999.0 M144237 unacceptable_atom Hg R008835 isotopes2h > 0 Line #473 Failed to load mol Line #474 Failed to load mol R009590 ps > 0 R009973 isotopes2h > 0 R010069 isotopes2h > 0 R010086 isotopes2h > 0 R010434 isotopes2h > 0 R010481 isotopes2h > 0 R028330 ps > 0 R028366 unacceptable_atom Ba R028374 MW < 50.0 R028376 MW < 50.0 R028435 unacceptable_atom Hg R028578 ps > 0 R028650 unacceptable_atom Zn R028654 MW > 999.0 R028660 no_acceptable_nonsalt_component R028784 MW < 50.0 R028827 MW > 999.0 R028915 unacceptable_atom Pb R029002 unacceptable_atom Hg R029192 MW < 50.0 R029234 unacceptable_atom Hg M031765 MW > 999.0 M032172 unacceptable_atom Se M039694 MW > 999.0 M039794 MW > 999.0 M039890 ps > 0 M039906 MW > 999.0 M040092 MW > 999.0 M040120 ps > 0 P000001 MW > 999.0 P000002 MW > 999.0 T000010 ps > 0 P000003 MW > 999.0 P000007 MW > 999.0 Line #179 Failed to load mol P000026 MW > 999.0 Line #198 Failed to load mol P000027 MW > 999.0 I005883 unacceptable_atom V I000492 validation_error Explicit valence for atom # 14 N, 4, is greater than permitted I000719 MW > 999.0 I001243 unacceptable_atom Mn I001702 MW > 999.0 I001804 validation_error Explicit valence for atom # 19 N, 4, is greater than permitted I001961 MW > 999.0 Line #1 Failed to load mol Line #13 Failed to load mol Line #30 Failed to load mol Line #37 Failed to load mol Line #48 Failed to load mol Line #52 Failed to load mol Line #86 Failed to load mol I012926 MW > 999.0 I012938 MW > 999.0 I012967 MW > 999.0 I012976 MW > 999.0 I013022 MW > 999.0 I013074 MW > 999.0 I013083 MW > 999.0 I013084 MW > 999.0 I013085 MW > 999.0 I013086 MW > 999.0 I013087 MW > 999.0 I013088 MW > 999.0 I013089 MW > 999.0 I013090 MW > 999.0 I013095 MW > 999.0 I013124 MW > 999.0 I013164 MW > 999.0 I013232 MW > 999.0 I013249 MW > 999.0 M033012 MW > 999.0 M033094 MW > 999.0 M033165 MW > 999.0 M033246 MW > 999.0 M033403 MW > 999.0 M033475 unacceptable_atom Tl M033533 MW > 999.0 R042249 unacceptable_atom As R042253 unacceptable_atom As R042255 unacceptable_atom As R042284 MW > 999.0 R042357 no_acceptable_nonsalt_component R042438 unacceptable_atom Bi R042588 MW > 999.0 R042700 unacceptable_atom Pt R042854 unacceptable_atom Ru R043097 non-hydrogen_atoms < 4 M084471 ps > 0 M084628 unacceptable_atom Se M084629 unacceptable_atom Cs M084744 unacceptable_atom Se M084785 ps > 0 M084786 MW < 50.0 M084871 unacceptable_atom Rb M084911 sss > 0 M084938 ps > 0 M084972 ps > 0 M084985 unacceptable_atom Cr M085026 MW < 50.0 M085048 unacceptable_atom Ir M085049 no_acceptable_nonsalt_component M085072 unacceptable_atom Te M085083 unacceptable_atom Se M085103 unacceptable_atom Ge M085108 unacceptable_atom Se A001115 non-hydrogen_atoms < 4 A001103 no_acceptable_nonsalt_component A001037 MW > 999.0 A000989 MW > 999.0 Line #145 Failed to load mol A000881 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted A000763 MW < 50.0 A000686 MW < 50.0 A000634 MW > 999.0 A000481 unacceptable_atom V A000324 MW > 999.0 M043676 MW > 999.0 M043690 MW > 999.0 M043806 MW > 999.0 M043976 MW > 999.0 M044034 MW > 999.0 M044058 unacceptable_atom Rh M044090 unacceptable_atom Al M044127 MW > 999.0 M044163 MW > 999.0 M044262 MW > 999.0 M044305 MW > 999.0 M080690 unacceptable_atom Ho M080712 MW < 50.0 M080758 unacceptable_atom Hf M080796 MW < 50.0 M080809 MW < 50.0 M080944 MW < 50.0 M080951 MW < 50.0 M080978 unacceptable_atom Sc M080998 ps > 0 M081020 ps > 0 M081064 unacceptable_atom Te M081068 unacceptable_atom As M081070 MW < 50.0 M081082 unacceptable_atom Cr M081095 MW < 50.0 M081127 non-hydrogen_atoms < 4 M081149 unacceptable_atom Pb M081193 no_acceptable_nonsalt_component M081226 no_acceptable_nonsalt_component M081254 MW < 50.0 M081262 ps > 0 M081263 unacceptable_atom As M081274 unacceptable_atom Te M047852 unacceptable_atom Ni M047854 unacceptable_atom Cs M047860 no_acceptable_nonsalt_component M047862 unacceptable_atom Pb M047904 no_acceptable_nonsalt_component M047918 unacceptable_atom Fe M047929 unacceptable_atom Au M047936 unacceptable_atom As,Se M047938 unacceptable_atom Sb M047948 unacceptable_atom Zn,Se M047954 unacceptable_atom Sb M047997 unacceptable_atom Au M048009 unacceptable_atom As Line #117 Failed to load mol M048044 unacceptable_atom Mo M048103 unacceptable_atom As M048124 unacceptable_atom As,Se M048136 unacceptable_atom Ca M048158 unacceptable_atom Ge M048165 unacceptable_atom Zn M048177 unacceptable_atom Sb M048183 unacceptable_atom Hg M048191 unacceptable_atom As,In M048200 unacceptable_atom Ga M048201 non-hydrogen_atoms < 4 M048219 unacceptable_atom Fe M048223 non-hydrogen_atoms < 4 M048224 non-hydrogen_atoms < 4 M048232 unacceptable_atom Pb M048250 unacceptable_atom Ge M048253 unacceptable_atom Sb M048259 unacceptable_atom V M048261 unacceptable_atom Se M048269 unacceptable_atom Mn M048274 unacceptable_atom Rb M048287 MW < 50.0 M048307 unacceptable_atom Mo M048350 unacceptable_atom Te M048357 unacceptable_atom Se,Co M048413 unacceptable_atom Al M048431 unacceptable_atom Se M048438 unacceptable_atom U M048443 unacceptable_atom Tl M048459 unacceptable_atom Se M048472 no_acceptable_nonsalt_component M048473 unacceptable_atom Ge M048511 unacceptable_atom Te,Cd M048523 unacceptable_atom As M048558 MW > 999.0 M048566 unacceptable_atom Pd M048570 MW > 999.0 M048581 unacceptable_atom Cu R007094 ps > 0 R007296 ps > 0 R007559 ps > 0 R007620 ps > 0 R008050 MW > 999.0 M225215 ps > 0 M058731 unacceptable_atom Al M058760 unacceptable_atom Al M058776 unacceptable_atom Mn M058779 unacceptable_atom Se M058781 unacceptable_atom Pt M058786 unacceptable_atom Ge M058799 MW < 50.0 M058823 unacceptable_atom Cr M058827 unacceptable_atom Sc M058835 unacceptable_atom V M058856 unacceptable_atom Er M058861 unacceptable_atom Al M058873 unacceptable_atom Pb M058878 unacceptable_atom As M058881 unacceptable_atom Ni M058888 no_acceptable_nonsalt_component M058889 unacceptable_atom Rb M058905 unacceptable_atom Te,Al M058913 MW > 999.0 M058920 unacceptable_atom Hg M058924 unacceptable_atom Nb M058932 unacceptable_atom Cr M058935 unacceptable_atom Y M058940 MW < 50.0 M058976 unacceptable_atom Sr M058998 unacceptable_atom Mo M059000 unacceptable_atom Ni M059001 unacceptable_atom Ni M059018 MW > 999.0 M059027 unacceptable_atom Al M059036 MW < 50.0 M059038 non-hydrogen_atoms < 4 M059045 unacceptable_atom Nd M059053 unacceptable_atom Y M059067 unacceptable_atom Sm M059071 unacceptable_atom Al M059073 unacceptable_atom Ti M059099 unacceptable_atom Bi M059103 unacceptable_atom Yb M059113 no_acceptable_nonsalt_component M059115 unacceptable_atom V M059120 unacceptable_atom Al M059121 unacceptable_atom Eu,Te M059124 unacceptable_atom Re M059141 unacceptable_atom Co M059153 unacceptable_atom As M059167 ps > 0 M059168 unacceptable_atom Tb M059182 unacceptable_atom Fe M059186 unacceptable_atom Sb M059195 non-hydrogen_atoms < 4 M059203 unacceptable_atom La M059209 unacceptable_atom Ti M059214 non-hydrogen_atoms < 4 M059219 unacceptable_atom Al M059220 unacceptable_atom Ru M059222 unacceptable_atom Ho M059229 unacceptable_atom Se M059234 unacceptable_atom Sb M059241 unacceptable_atom Sr M059261 unacceptable_atom Cu M059264 unacceptable_atom Co M059270 MW < 50.0 M059272 unacceptable_atom Ba M059288 unacceptable_atom Ni,Te M059300 unacceptable_atom Mn M059302 unacceptable_atom Nd M059308 unacceptable_atom Pr M059317 unacceptable_atom Cr M059336 MW < 50.0 M059337 MW < 50.0 M059354 unacceptable_atom Fe M059385 unacceptable_atom Pr M059399 unacceptable_atom As,Nb M059413 no_acceptable_nonsalt_component M059417 unacceptable_atom Ba M059420 unacceptable_atom Tm M059434 MW < 50.0 M059454 MW > 999.0 M059460 unacceptable_atom Ir M059463 MW < 50.0 M059466 unacceptable_atom Sm M059468 MW < 50.0 M059469 unacceptable_atom V M059471 unacceptable_atom Al M059474 unacceptable_atom Dy M093917 MW > 999.0 M093948 MW > 999.0 M094020 MW > 999.0 M094021 MW > 999.0 M094075 MW > 999.0 M094111 unacceptable_atom Ga M094122 MW > 999.0 M094123 unacceptable_atom Sr M094167 MW > 999.0 M094222 MW > 999.0 M094244 MW > 999.0 M094289 ps > 0 M094476 MW > 999.0 M094490 MW > 999.0 M094525 MW > 999.0 M094543 MW > 999.0 M094571 MW > 999.0 M094636 MW > 999.0 M094652 MW > 999.0 R016216 MW > 999.0 R016290 MW < 50.0 R016292 MW < 50.0 R016408 MW > 999.0 R016558 MW < 50.0 R016568 no_acceptable_nonsalt_component R016571 no_acceptable_nonsalt_component R016576 no_acceptable_nonsalt_component R016585 non-hydrogen_atoms < 4 R016588 MW < 50.0 R016592 no_acceptable_nonsalt_component R016593 MW < 50.0 R016594 no_acceptable_nonsalt_component R016596 MW < 50.0 R016602 MW < 50.0 R016638 ps > 0 R016649 MW > 999.0 R016682 ps > 0 R016786 unacceptable_atom As Line #396 Failed to load mol R016881 MW > 999.0 M052453 MW < 50.0 M052455 unacceptable_atom Al M052469 unacceptable_atom Ru M052474 unacceptable_atom Se M052476 unacceptable_atom Y M052482 unacceptable_atom W M052487 unacceptable_atom Ni M052493 unacceptable_atom Sb M052494 unacceptable_atom Pb,Se M052507 unacceptable_atom Y M052511 unacceptable_atom Os M052518 unacceptable_atom Cr M052519 MW < 50.0 M052527 unacceptable_atom Al M052547 no_acceptable_nonsalt_component M052548 unacceptable_atom Ta M052558 MW > 999.0 M052565 unacceptable_atom Eu M052584 unacceptable_atom Re M052606 non-hydrogen_atoms < 4 M052607 unacceptable_atom Zr M052617 unacceptable_atom As M052618 unacceptable_atom Se M052619 non-hydrogen_atoms < 4 M052626 unacceptable_atom As M052627 unacceptable_atom Eu M052636 MW < 50.0 M052654 unacceptable_atom Zn M052669 unacceptable_atom Se M052672 unacceptable_atom Os M052685 ps > 0 M052686 unacceptable_atom In,Se M052687 unacceptable_atom Ga M052690 unacceptable_atom Tl M052691 non-hydrogen_atoms < 4 M052702 unacceptable_atom Co M052703 MW > 999.0 M052713 MW < 50.0 M052717 unacceptable_atom In M052721 unacceptable_atom Al M052725 unacceptable_atom Mo M052736 MW < 50.0 M052738 unacceptable_atom Be M052752 unacceptable_atom Tm M052755 MW > 999.0 M052767 unacceptable_atom Nb M052772 unacceptable_atom Am M052779 unacceptable_atom Se M052796 unacceptable_atom Eu M052800 MW < 50.0 M052829 unacceptable_atom Ti M052841 unacceptable_atom V M052842 unacceptable_atom Al M052845 MW < 50.0 M052857 sss > 0 M052867 unacceptable_atom Pt M052870 unacceptable_atom Zn M052905 unacceptable_atom Te M052918 unacceptable_atom Nb M052933 unacceptable_atom Ru M052940 unacceptable_atom Se M052963 unacceptable_atom As M052992 MW < 50.0 M052999 unacceptable_atom Ni M053006 unacceptable_atom Tl M053007 pp > 0 M053011 unacceptable_atom Al M053015 MW < 50.0 M053017 unacceptable_atom Zr M053023 MW > 999.0 M053035 MW < 50.0 M053037 unacceptable_atom Cr M053061 unacceptable_atom Cr M053071 MW < 50.0 M053072 unacceptable_atom Al M053075 unacceptable_atom Er M053079 unacceptable_atom Nb M053083 unacceptable_atom Pr M053089 unacceptable_atom Mn M053090 MW < 50.0 M053091 unacceptable_atom Mn M053092 unacceptable_atom Mo M053094 unacceptable_atom Li,Se M053101 MW < 50.0 M053112 unacceptable_atom Hf M053123 unacceptable_atom Cd M053126 unacceptable_atom Pr M053130 MW < 50.0 M053142 unacceptable_atom Sm M053148 unacceptable_atom Ge M053185 MW < 50.0 M053194 MW > 999.0 M053197 unacceptable_atom Bi M053198 MW < 50.0 M053203 non-hydrogen_atoms < 4 M053206 MW > 999.0 M053224 ps > 0 M216026 sss > 0 M216027 sss > 0 M216028 sss > 0 M216029 sss > 0 M216030 sss > 0 M216040 sss > 0