BD338567 MW > 999.0
BD00815148 MW > 999.0
BD00815908 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD00843749 MW > 999.0
BD00844043 unacceptable_atom Se
BD00844288 unacceptable_atom Zn
BD00844328 MW > 999.0
BD01012015 unacceptable_atom Se
BD00848626 MW > 999.0
BD00848676 MW > 999.0
BD00848801 MW > 999.0
BD00827982 MW > 999.0
BD00828011 MW > 999.0
BD00967235 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD227695 unacceptable_atom Zn
BD227801 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #298 Failed to load mol
BD228344 unacceptable_atom Fe
BD00841401 MW > 999.0
BD00841528 MW > 999.0
BD00830969 MW > 999.0
BD00830979 MW > 999.0
BD00954211 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD00954263 unacceptable_atom Pt
BD00954448 MW > 999.0
BD151122 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD151144 MW < 50.0
BD151150 unacceptable_atom Sb
BD151152 unacceptable_atom Ag
BD151155 unacceptable_atom Ag
BD151179 unacceptable_atom Ag
BD151387 no_acceptable_nonsalt_component
BD151396 isotopes13c > 0
Line #51 Failed to load mol
BD151469 unacceptable_atom Pt
BD151485 unacceptable_atom Fe
BD151486 no_acceptable_nonsalt_component
BD151488 MW < 50.0
BD151532 unacceptable_atom Mo,Na
BD151643 unacceptable_atom Au
Line #79 Failed to load mol
BD151976 unacceptable_atom Sr
BD151994 unacceptable_atom Sr
BD151997 unacceptable_atom Sr
Line #155 Failed to load mol
BD152381 unacceptable_atom Ta
BD153151 validation_error Explicit valence for atom # 3 C, 5, is greater than permitted
Line #353 Failed to load mol
BD153210 unacceptable_atom Pd
BD153239 unacceptable_atom Ni
BD153240 unacceptable_atom Ni
BD153247 validation_error Explicit valence for atom # 18 Sn, 6, is greater than permitted
BD153386 unacceptable_atom Ge
BD153533 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD153535 MW > 999.0
BD153597 validation_error Explicit valence for atom # 1 Br, 3, is greater than permitted
BD153619 unacceptable_atom Se
BD153630 validation_error Explicit valence for atom # 1 Br, 3, is greater than permitted
BD01092921 MW > 999.0
BD01093127 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD01093361 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD00945416 MW > 999.0
BD00945453 isotopes15n > 0
BD01021684 MW < 50.0
BD00955433 MW > 999.0
BD00955551 unacceptable_atom Cu
BD137543 no_acceptable_nonsalt_component
BD137544 no_acceptable_nonsalt_component
BD137545 no_acceptable_nonsalt_component
BD122054 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD122056 unacceptable_atom Co
BD122085 unacceptable_atom Co
BD122093 unacceptable_atom Co
BD122096 validation_error Explicit valence for atom # 3 O, 3, is greater than permitted
BD122188 unacceptable_atom Cu
BD122194 unacceptable_atom Al
BD122229 unacceptable_atom Cu
BD122256 unacceptable_atom Cu
BD122260 unacceptable_atom Cu
BD122863 validation_error Explicit valence for atom # 11 O, 3, is greater than permitted
BD122897 validation_error Explicit valence for atom # 8 C, 5, is greater than permitted
BD122905 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD122906 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD122950 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
Line #300 Failed to load mol
Line #323 Failed to load mol
BD123954 isotopes13c > 0
BD124087 validation_error Explicit valence for atom # 0 Br, 2, is greater than permitted
BD124093 unacceptable_atom Co
BD124314 unacceptable_atom Pt
BD124331 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD124332 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD225196 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD225250 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD761980 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD762173 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD762285 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD762346 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD762353 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted
BD762450 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
BD762529 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD762532 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD762613 validation_error Explicit valence for atom # 26 N, 4, is greater than permitted
BD762616 validation_error Explicit valence for atom # 0 N, 4, is greater than permitted
BD762724 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD762782 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
BD762949 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD762950 unacceptable_atom Rh
BD763016 validation_error Explicit valence for atom # 13 N, 4, is greater than permitted
BD763036 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD763056 MW > 999.0
BD763244 unacceptable_atom Au
BD00867424 MW > 999.0
BD00797510 MW > 999.0
BD00797944 validation_error Explicit valence for atom # 12 O, 3, is greater than permitted
BD630428 ps > 0
BD630509 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD630885 MW > 999.0
BD63107 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD631079 MW > 999.0
Line #414 Failed to load mol
BD631713 unacceptable_atom Fe
BD00874292 validation_error Explicit valence for atom # 15 C, 5, is greater than permitted
BD00874529 MW > 999.0
Line #332 Failed to load mol
BD318898 validation_error Explicit valence for atom # 17 O, 3, is greater than permitted
BD251020 unacceptable_atom Cu
BD00809411 MW > 999.0
BD00987668 unacceptable_atom Cu
BD00766586 validation_error Explicit valence for atom # 1 C, 6, is greater than permitted
BD282782 unacceptable_atom Fe
Line #239 Failed to load mol
BD105605 MW > 999.0
Line #280 Failed to load mol
Line #308 Failed to load mol
Line #309 Failed to load mol
BD106587 unacceptable_atom Se
BD00742164 unacceptable_atom Se
BD303947 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #82 Failed to load mol
BD304012 MW > 999.0
BD01891233 MW > 999.0
Line #6 Failed to load mol
Line #8 Failed to load mol
Line #9 Failed to load mol
BD01893915 MW > 999.0
Line #16 Failed to load mol
Line #20 Failed to load mol
Line #23 Failed to load mol
Line #27 Failed to load mol
Line #30 Failed to load mol
Line #32 Failed to load mol
Line #33 Failed to load mol
Line #37 Failed to load mol
Line #43 Failed to load mol
Line #44 Failed to load mol
Line #47 Failed to load mol
BD01906665 MW > 999.0
Line #53 Failed to load mol
BD01910673 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
Line #69 Failed to load mol
Line #70 Failed to load mol
BD01914902 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD01920353 MW > 999.0
Line #95 Failed to load mol
Line #96 Failed to load mol
Line #97 Failed to load mol
Line #98 Failed to load mol
BD01931392 MW > 999.0
Line #113 Failed to load mol
BD02141460 MW > 999.0
BD02179868 MW > 999.0
BD02193377 unacceptable_atom Se
BD02224804 unacceptable_atom Se
Line #349 Failed to load mol
Line #384 Failed to load mol
Line #438 Failed to load mol
BD01272002 isotopes15n > 0
BD01272169 unacceptable_atom Pd
Line #91 Failed to load mol
BD01275226 unacceptable_atom Ni
Line #122 Failed to load mol
BD01277473 MW > 999.0
BD01277716 MW > 999.0
BD01279179 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01280158 isotopes15n > 0
Line #302 Failed to load mol
Line #320 Failed to load mol
BD01283593 validation_error Explicit valence for atom # 3 C, 5, is greater than permitted
BD01286531 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01286813 no_acceptable_nonsalt_component
BD01287798 MW > 999.0
BD00769704 MW > 999.0
BD00769816 MW > 999.0
BD01375302 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
Line #176 Failed to load mol
BD01376954 isotopes13c > 0
BD01378701 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD01378908 validation_error Explicit valence for atom # 10 N, 4, is greater than permitted
Line #276 Failed to load mol
BD01379856 no_acceptable_nonsalt_component
BD01380869 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01380922 MW > 999.0
BD01381408 isotopes13c > 0
BD01381501 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD01381865 MW > 999.0
Line #436 Failed to load mol
BD01382828 MW > 999.0
Line #483 Failed to load mol
BD01102647 MW > 999.0
BD01102874 validation_error Explicit valence for atom # 31 Cl, 2, is greater than permitted
BD01103140 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01103253 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01103446 isotopes11c > 0
Line #352 Failed to load mol
BD01103735 unacceptable_atom Se
BD01103817 validation_error Explicit valence for atom # 9 O, 3, is greater than permitted
Line #424 Failed to load mol
BD01104085 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #459 Failed to load mol
BD00932106 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted
BD00932913 MW > 999.0
Line #22 Failed to load mol
BD01115177 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD01115479 unacceptable_atom Pd
BD01115818 unacceptable_atom Pt
BD01116146 MW > 999.0
BD01116383 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD01116411 isotopes2h > 0
Line #273 Failed to load mol
Line #314 Failed to load mol
BD01116957 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD01117043 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01117230 validation_error Explicit valence for atom # 17 N, 4, is greater than permitted
BD01117703 validation_error Explicit valence for atom # 12 O, 3, is greater than permitted
BD01117760 MW > 999.0
BD01117920 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01118050 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
BD01577031 isotopes15n > 0
Line #48 Failed to load mol
Line #97 Failed to load mol
Line #109 Failed to load mol
BD01587732 validation_error Explicit valence for atom # 39 N, 4, is greater than permitted
Line #200 Failed to load mol
BD01594157 MW > 999.0
Line #298 Failed to load mol
BD01604464 unacceptable_atom Se
Line #418 Failed to load mol
BD01614646 MW > 999.0
Line #332 Failed to load mol
BD01104929 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD01104933 validation_error Explicit valence for atom # 10 F, 2, is greater than permitted
Line #343 Failed to load mol
BD01105567 no_acceptable_nonsalt_component
BD01105626 validation_error Explicit valence for atom # 24 Cl, 2, is greater than permitted
BD01105628 isotopes13c > 0
BD01359224 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01361401 MW > 999.0
Line #131 Failed to load mol
BD01363230 isotopes2h > 0
BD01366163 validation_error Explicit valence for atom # 1 F, 2, is greater than permitted
BD01370061 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD01370065 validation_error Explicit valence for atom # 1 F, 2, is greater than permitted
BD00935025 unacceptable_atom Fe
BD00935299 MW > 999.0
BD00935429 unacceptable_atom Zn
BD00935917 isotopes13c > 0
BD297233 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD298198 MW > 999.0
BD01421955 validation_error Explicit valence for atom # 15 C, 5, is greater than permitted
BD01423170 MW > 999.0
Line #147 Failed to load mol
BD01424678 MW > 999.0
BD01425152 validation_error Explicit valence for atom # 22 C, 5, is greater than permitted
BD01425244 validation_error Explicit valence for atom # 8 C, 5, is greater than permitted
BD01425403 MW > 999.0
BD01425564 MW > 999.0
Line #259 Failed to load mol
BD01426534 validation_error Explicit valence for atom # 25 N, 4, is greater than permitted
BD01427508 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01428453 isotopes13c > 0
BD01430564 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01142787 unacceptable_atom Se
BD01144111 unacceptable_atom Se
BD01144451 validation_error Explicit valence for atom # 3 Cl, 3, is greater than permitted
BD01144592 validation_error Explicit valence for atom # 0 B, 7, is greater than permitted
BD01144713 unacceptable_atom Se
BD01144796 validation_error Explicit valence for atom # 37 N, 4, is greater than permitted
BD01144889 validation_error Explicit valence for atom # 10 O, 3, is greater than permitted
BD01145519 unacceptable_atom Pd
BD01145729 MW > 999.0
BD01147177 MW > 999.0
BD01147669 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01148426 unacceptable_atom Cu
Line #395 Failed to load mol
BD01149234 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
BD01149345 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01150162 unacceptable_atom Pd
BD01150501 validation_error Explicit valence for atom # 30 F, 2, is greater than permitted
BD00750668 unacceptable_atom Se
BD01314595 validation_error Explicit valence for atom # 52 N, 4, is greater than permitted
BD01314824 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD01315045 isotopes15n > 0
BD01315644 isotopes15n > 0
BD01316244 isotopes15n > 0
BD01316388 isotopes15n > 0
BD01318055 isotopes15n > 0
BD01319136 isotopes13c > 0
Line #215 Failed to load mol
BD01319660 MW < 50.0
BD01321076 validation_error Explicit valence for atom # 15 C, 5, is greater than permitted
BD01322971 MW > 999.0
BD01325158 isotopes15n > 0
BD01327188 MW > 999.0
BD01160657 MW > 999.0
BD01160686 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01160953 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD01160999 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01161287 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01162174 isotopes13c > 0
BD01162389 unacceptable_atom Zn
BD01162850 validation_error Explicit valence for atom # 3 Cl, 3, is greater than permitted
BD01163357 validation_error Explicit valence for atom # 7 C, 5, is greater than permitted
BD01163856 validation_error Explicit valence for atom # 3 C, 5, is greater than permitted
Line #249 Failed to load mol
BD01164298 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
Line #313 Failed to load mol
BD01165686 MW > 999.0
BD01166179 unacceptable_atom Ca
BD01166526 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01166627 MW > 999.0
Line #481 Failed to load mol
BD0347 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD447357 validation_error Explicit valence for atom # 10 C, 5, is greater than permitted
BD447766 unacceptable_atom Ni
BD626683 MW > 999.0
BD62730 MW > 999.0
BD627744 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD627745 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD627747 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD627770 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD627832 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD627856 unacceptable_atom Se
BD757147 MW > 999.0
BD00804371 MW > 999.0
BD208935 no_acceptable_nonsalt_component
BD00991105 unacceptable_atom Zn
BD01001283 validation_error Explicit valence for atom # 36 N, 4, is greater than permitted
BD00877980 MW > 999.0
BD00794671 isotopes2h > 0
BD00794872 MW > 999.0
BD00869617 unacceptable_atom Cu
BD00980014 MW > 999.0
BD221273 isotopes13c > 0
BD486046 unacceptable_atom Se
BD00865886 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD00983657 unacceptable_atom Fe
BD00913198 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD129750 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD130016 isotopes13c > 0
BD130300 unacceptable_atom Fe
BD130318 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD130338 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD132343 unacceptable_atom Au
BD132345 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01087489 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD54070 unacceptable_atom Zn
BD01082873 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01083127 MW > 999.0
BD01083303 unacceptable_atom Se
BD00948252 isotopes15n > 0
BD01092074 MW > 999.0
BD01092370 MW > 999.0
BD01092456 MW > 999.0
BD154171 validation_error Explicit valence for atom # 0 N, 4, is greater than permitted
BD154175 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD154176 non-hydrogen_atoms < 4
BD154180 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD154186 MW > 999.0
BD155010 MW > 999.0
BD155163 MW > 999.0
BD155206 isotopes13c > 0
BD155207 isotopes13c > 0
BD155341 MW > 999.0
BD155380 ps > 0
BD155446 ps > 0
BD155516 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD155653 unacceptable_atom Bi
BD155680 unacceptable_atom Sb
BD155681 unacceptable_atom Sb
BD155683 unacceptable_atom Sb
BD155688 unacceptable_atom Bi
BD155691 validation_error Explicit valence for atom # 0 B, 7, is greater than permitted
BD155723 unacceptable_atom Se
BD155758 unacceptable_atom Bi
BD155780 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD155806 unacceptable_atom Bi
BD155885 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD155888 unacceptable_atom Rh
BD155918 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD155919 unacceptable_atom Al
Line #355 Failed to load mol
BD156318 unacceptable_atom V
BD00942816 MW > 999.0
BD01097675 isotopes13c > 0
BD01097814 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD01097948 MW > 999.0
BD01098177 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01098401 validation_error Explicit valence for atom # 34 C, 5, is greater than permitted
BD01098612 MW > 999.0
BD01098671 MW > 999.0
BD174294 no_acceptable_nonsalt_component
BD232488 validation_error Explicit valence for atom # 7 Cl, 2, is greater than permitted
BD437684 MW > 999.0
BD00860740 MW > 999.0
BD43314 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD433800 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD433899 unacceptable_atom In
BD433949 unacceptable_atom Cu
BD00854305 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD00838539 isotopes13c > 0
Line #6 Failed to load mol
BD341201 isotopes2h > 0
BD248265 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD248266 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD198660 isotopes15n > 0
BD198863 unacceptable_atom Se
BD00844452 unacceptable_atom Ba
BD00845153 MW > 999.0
BD00813641 MW > 999.0
BD00814511 MW > 999.0
BD00852554 unacceptable_atom Na
BD00978199 MW > 999.0
BD00856646 MW > 999.0
BD00856957 MW > 999.0
BD00833727 validation_error Explicit valence for atom # 15 C, 5, is greater than permitted
BD00834103 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD00834111 MW > 999.0
BD00834181 MW > 999.0
BD00834604 validation_error Explicit valence for atom # 1 Br, 3, is greater than permitted
BD234321 unacceptable_atom Pt
BD234325 unacceptable_atom Pt
BD234358 unacceptable_atom Ru
BD234587 unacceptable_atom Pd
BD00840817 MW > 999.0
Line #126 Failed to load mol
BD00826524 MW > 999.0
BD00826538 MW > 999.0
BD00826564 validation_error Explicit valence for atom # 7 C, 5, is greater than permitted
BD00826924 MW > 999.0
BD00826940 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD00827370 unacceptable_atom Bi
BD00849545 MW > 999.0
BD00849546 unacceptable_atom Se
BD00849619 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD00965091 unacceptable_atom Cu
BD246430 MW < 50.0
BD246526 unacceptable_atom Cu
BD246556 no_acceptable_nonsalt_component
BD00819038 MW > 999.0
BD00819531 MW > 999.0
BD00819837 MW > 999.0
BD00971697 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD01075377 MW > 999.0
BD443353 unacceptable_atom Se
BD113640 unacceptable_atom Al
BD113686 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD113733 unacceptable_atom Al
Line #75 Failed to load mol
Line #76 Failed to load mol
BD114065 unacceptable_atom Rh
BD114110 unacceptable_atom Ir
BD114115 unacceptable_atom Rh
BD114127 no_acceptable_nonsalt_component
BD114130 no_acceptable_nonsalt_component
BD114136 unacceptable_atom Fe
BD114137 unacceptable_atom Fe
BD114145 no_acceptable_nonsalt_component
BD114148 no_acceptable_nonsalt_component
BD114179 no_acceptable_nonsalt_component
BD114183 unacceptable_atom Au
Line #221 Failed to load mol
BD114765 validation_error Explicit valence for atom # 1 Al, 8, is greater than permitted
BD114796 ps > 0
BD114855 MW > 999.0
BD114856 MW > 999.0
BD115084 isotopes13c > 0
BD115112 unacceptable_atom Ba
BD115135 unacceptable_atom Ba
BD115246 unacceptable_atom Ni
BD115700 unacceptable_atom Se
BD115951 isotopes13c > 0
Line #4 Failed to load mol
BD517895 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD51971 isotopes2h > 0
Line #2 Failed to load mol
Line #8 Failed to load mol
Line #70 Failed to load mol
BD139874 isotopes2h > 0
BD139907 MW < 50.0
BD140110 validation_error Explicit valence for atom # 6 O, 3, is greater than permitted
BD01084594 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01084692 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD00956247 isotopes15n > 0
BD00956788 ps > 0
BD165178 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
BD00945987 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD00946677 isotopes13c > 0
BD01095583 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD01095699 MW > 999.0
Line #135 Failed to load mol
BD01096128 isotopes2h > 0
BD01096169 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01096205 validation_error Explicit valence for atom # 18 O, 3, is greater than permitted
BD01096240 MW > 999.0
Line #449 Failed to load mol
Line #183 Failed to load mol
BD144589 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD144602 unacceptable_atom Ni
BD144603 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD144632 unacceptable_atom Ni
BD144667 unacceptable_atom Ni
BD317748 unacceptable_atom Mo
BD317755 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD317987 MW > 999.0
BD00800578 MW > 999.0
BD00800582 unacceptable_atom Cu
BD00992556 validation_error Explicit valence for atom # 3 O, 3, is greater than permitted
BD632896 MW > 999.0
BD257453 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD00787575 MW > 999.0
BD00799075 MW > 999.0
BD00866779 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD00867244 isotopes15n > 0
BD265189 unacceptable_atom Au
BD767364 ps > 0
BD767802 MW > 999.0
BD768013 MW > 999.0
BD01537525 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
Line #99 Failed to load mol
BD01549761 validation_error Explicit valence for atom # 15 F, 2, is greater than permitted
Line #183 Failed to load mol
BD01552287 isotopes13c > 0
BD01558512 isotopes13c > 0
Line #318 Failed to load mol
Line #327 Failed to load mol
Line #347 Failed to load mol
BD01565074 MW > 999.0
Line #382 Failed to load mol
Line #397 Failed to load mol
BD01566884 isotopes15n > 0
Line #494 Failed to load mol
BD01118260 validation_error Explicit valence for atom # 22 C, 6, is greater than permitted
BD01119056 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01119150 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
Line #165 Failed to load mol
BD01119489 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD01119601 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
Line #224 Failed to load mol
BD01119975 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
Line #236 Failed to load mol
BD01120420 isotopes15n > 0
BD01121174 validation_error Explicit valence for atom # 9 N, 4, is greater than permitted
BD01122066 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD00780446 unacceptable_atom Ir
Line #12 Failed to load mol
Line #90 Failed to load mol
BD01405552 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01405928 validation_error Explicit valence for atom # 1 F, 2, is greater than permitted
Line #129 Failed to load mol
BD01407219 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
BD01408231 MW > 999.0
Line #268 Failed to load mol
BD01408716 validation_error Explicit valence for atom # 1 F, 2, is greater than permitted
BD01409053 isotopes13c > 0
BD01409141 validation_error Explicit valence for atom # 25 N, 4, is greater than permitted
BD01409866 unacceptable_atom Ir
BD01411359 validation_error Explicit valence for atom # 30 N, 4, is greater than permitted
BD01411577 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #500 Failed to load mol
BD290870 validation_error Explicit valence for atom # 5 Cl, 2, is greater than permitted
BD291211 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD291730 ps > 0
BD00771935 MW > 999.0
Line #304 Failed to load mol
BD00772255 validation_error Explicit valence for atom # 1 B, 5, is greater than permitted
BD00892059 MW > 999.0
BD01200364 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
Line #36 Failed to load mol
Line #63 Failed to load mol
BD01201418 unacceptable_atom Fe
BD01202119 MW > 999.0
BD01202765 isotopes13c > 0
BD01203494 validation_error Explicit valence for atom # 7 C, 5, is greater than permitted
BD01203515 MW > 999.0
BD01203583 MW > 999.0
Line #154 Failed to load mol
BD01204619 unacceptable_atom Pd
Line #200 Failed to load mol
BD01205321 validation_error Explicit valence for atom # 1 Cl, 2, is greater than permitted
BD01206031 validation_error Explicit valence for atom # 9 O, 3, is greater than permitted
Line #242 Failed to load mol
BD01207595 MW > 999.0
BD01207845 isotopes13c > 0
BD01208192 isotopes13c > 0
BD01208395 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01208486 MW > 999.0
BD01208552 isotopes2h > 0
BD01209389 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD01209902 isotopes13c > 0
Line #393 Failed to load mol
Line #484 Failed to load mol
BD01213774 isotopes13c > 0
BD00744637 unacceptable_atom Se
BD104490 unacceptable_atom Se
BD00919253 MW > 999.0
BD00759360 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD00759660 MW > 999.0
BD01189120 validation_error Explicit valence for atom # 3 O, 3, is greater than permitted
BD01191164 validation_error Explicit valence for atom # 1 O, 4, is greater than permitted
Line #234 Failed to load mol
BD01193094 validation_error Explicit valence for atom # 6 C, 5, is greater than permitted
Line #251 Failed to load mol
BD01193229 isotopes2h > 0
Line #456 Failed to load mol
BD01199410 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD286833 validation_error Explicit valence for atom # 41 B, 7, is greater than permitted
BD00882420 unacceptable_atom Se
BD00922088 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01302573 ps > 0
BD01304447 isotopes15n > 0
BD01304473 MW > 999.0
BD01304861 MW > 999.0
BD01306457 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01308259 MW > 999.0
Line #309 Failed to load mol
BD01309983 isotopes15n > 0
BD01310049 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
Line #353 Failed to load mol
BD01312290 isotopes15n > 0
BD01313403 isotopes15n > 0
BD271478 unacceptable_atom Rh
Line #36 Failed to load mol
Line #37 Failed to load mol
Line #64 Failed to load mol
Line #131 Failed to load mol
Line #164 Failed to load mol
BD01136273 validation_error Explicit valence for atom # 15 F, 2, is greater than permitted
BD01138508 MW > 999.0
Line #319 Failed to load mol
BD01138982 validation_error Explicit valence for atom # 16 F, 2, is greater than permitted
BD01139442 isotopes13c > 0
BD01139804 MW > 999.0
BD01140096 validation_error Explicit valence for atom # 29 Cl, 2, is greater than permitted
BD01141205 no_acceptable_nonsalt_component
BD01432655 unacceptable_atom Cu
BD01433333 MW > 999.0
Line #142 Failed to load mol
BD01434589 validation_error Explicit valence for atom # 8 F, 2, is greater than permitted
BD01436043 MW > 999.0
Line #257 Failed to load mol
BD01437262 validation_error Explicit valence for atom # 8 O, 3, is greater than permitted
BD01437312 MW < 50.0
BD01438140 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD01440507 unacceptable_atom Fe
BD01442395 validation_error Explicit valence for atom # 44 N, 4, is greater than permitted
BD01442442 validation_error Explicit valence for atom # 13 N, 4, is greater than permitted
BD01442690 validation_error Explicit valence for atom # 1 F, 2, is greater than permitted
BD01442843 MW > 999.0
BD01443211 validation_error Explicit valence for atom # 23 C, 5, is greater than permitted
BD01444722 MW > 999.0
BD582622 isotopes13c > 0
BD01109645 MW > 999.0
BD01109672 MW > 999.0
BD01110313 unacceptable_atom Ru
BD01110441 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
BD01110565 validation_error Explicit valence for atom # 26 F, 2, is greater than permitted
BD01110587 MW > 999.0
BD01110905 isotopes13c > 0
Line #308 Failed to load mol
BD01111117 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01111221 validation_error Explicit valence for atom # 17 N, 4, is greater than permitted
BD01111916 unacceptable_atom Ag
BD00786417 MW > 999.0
BD00863400 MW > 999.0
Line #58 Failed to load mol
BD00793413 MW > 999.0
BD00793619 MW > 999.0
BD682371 validation_error Explicit valence for atom # 18 C, 5, is greater than permitted
BD682429 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD682437 unacceptable_atom Rh
BD682448 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD682449 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD682452 unacceptable_atom Ni
BD682457 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD682458 validation_error Explicit valence for atom # 0 Br, 2, is greater than permitted
BD682465 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD682466 validation_error Explicit valence for atom # 13 C, 5, is greater than permitted
BD682468 validation_error Explicit valence for atom # 0 Br, 2, is greater than permitted
BD682470 validation_error Explicit valence for atom # 0 Br, 2, is greater than permitted
BD682476 unacceptable_atom Ir
BD682477 validation_error Explicit valence for atom # 11 C, 5, is greater than permitted
BD682479 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD682480 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD682481 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD682485 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD682490 validation_error Explicit valence for atom # 10 O, 3, is greater than permitted
BD682491 validation_error Explicit valence for atom # 3 Cl, 3, is greater than permitted
BD682492 unacceptable_atom Pd
BD682499 validation_error Explicit valence for atom # 6 O, 5, is greater than permitted
BD682500 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD682507 validation_error Explicit valence for atom # 19 N, 4, is greater than permitted
BD682510 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD682514 unacceptable_atom Ni
BD682516 unacceptable_atom Ir
BD682519 unacceptable_atom Ir
BD682530 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD682545 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD682546 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD682547 validation_error Explicit valence for atom # 6 C, 5, is greater than permitted
BD682549 validation_error Explicit valence for atom # 6 O, 5, is greater than permitted
BD682553 validation_error Explicit valence for atom # 6 O, 3, is greater than permitted
Line #159 Failed to load mol
BD68546 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD685963 unacceptable_atom Se
BD262586 MW > 999.0
BD262599 MW > 999.0
BD00989590 unacceptable_atom Fe
BD00878307 unacceptable_atom Se
BD00878463 unacceptable_atom Cs
Line #435 Failed to load mol
BD01057364 MW > 999.0
BD00807486 validation_error Explicit valence for atom # 1 B, 7, is greater than permitted
BD00807656 ps > 0
BD01098708 validation_error Explicit valence for atom # 31 C, 5, is greater than permitted
BD01098782 MW > 999.0
BD01098890 no_acceptable_nonsalt_component
BD01099195 validation_error Explicit valence for atom # 18 H, 2, is greater than permitted
BD01099340 unacceptable_atom Au
BD00941188 unacceptable_atom Se
BD00941498 isotopes13c > 0
BD161146 MW > 999.0
BD01089503 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD112248 isotopes13c > 0
BD112289 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD112721 ps > 0
Line #319 Failed to load mol
BD01081190 MW > 999.0
BD00958739 unacceptable_atom Fe
BD00964423 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
BD00964677 unacceptable_atom Ni
Line #6 Failed to load mol
BD00851459 MW > 999.0
BD00851656 ps > 0
BD00851848 MW > 999.0
BD00851886 MW > 999.0
BD00851969 MW > 999.0
BD00823317 isotopes13c > 0
BD00823480 MW > 999.0
BD242015 unacceptable_atom Se
BD242016 unacceptable_atom Se
BD242684 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD00968410 unacceptable_atom Fe
BD00968525 unacceptable_atom Pt
Line #184 Failed to load mol
Line #458 Failed to load mol
BD00835097 isotopes2h > 0
BD00835190 unacceptable_atom Fe
BD00855807 unacceptable_atom Se
BD165628 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD41302 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
Line #451 Failed to load mol
BD240793 no_acceptable_nonsalt_component
BD00860227 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD331712 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD231986 validation_error Explicit valence for atom # 6 N, 4, is greater than permitted
BD00909145 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD108681 unacceptable_atom Se
BD01082422 unacceptable_atom Mn
BD00960105 isotopes15n > 0
Line #368 Failed to load mol
BD01086920 isotopes2h > 0
BD132354 unacceptable_atom Au
BD133683 MW > 999.0
BD133715 MW > 999.0
BD00943238 isotopes13c > 0
BD00943468 isotopes13c > 0
BD01096629 unacceptable_atom Ag
Line #115 Failed to load mol
Line #118 Failed to load mol
BD01097204 no_acceptable_nonsalt_component
BD01097242 validation_error Explicit valence for atom # 0 N, 4, is greater than permitted
BD01097393 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01097512 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD00949224 unacceptable_atom V
BD54856 validation_error Explicit valence for atom # 9 C, 5, is greater than permitted
BD157195 MW < 50.0
BD157201 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD157216 unacceptable_atom Mo
BD157224 unacceptable_atom Zn
BD157241 unacceptable_atom Zn
BD157250 unacceptable_atom Zn
BD157262 unacceptable_atom Zn
BD01090840 unacceptable_atom Au
BD01091230 no_acceptable_nonsalt_component
BD01091259 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01091350 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01091406 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01091597 MW > 999.0
Line #453 Failed to load mol
Line #498 Failed to load mol
BD01065589 validation_error Explicit valence for atom # 17 Cl, 2, is greater than permitted
BD426020 no_acceptable_nonsalt_component
BD238912 unacceptable_atom Se
BD00836919 MW > 999.0
BD00837034 unacceptable_atom Ca
BD00837260 validation_error Explicit valence for atom # 7 B, 4, is greater than permitted
BD00837468 MW > 999.0
BD00854872 unacceptable_atom Co
BD17507 MW > 999.0
BD01071053 unacceptable_atom Cu
BD243562 validation_error Explicit valence for atom # 8 C, 5, is greater than permitted
BD443715 MW > 999.0
BD00963070 unacceptable_atom Pt
BD00852931 MW > 999.0
BD00853445 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD00820669 MW > 999.0
BD34249 MW > 999.0
BD00812803 MW > 999.0
BD00813460 unacceptable_atom Ir
BD00813474 validation_error Explicit valence for atom # 20 C, 5, is greater than permitted
BD00845328 unacceptable_atom Ca
BD00845457 MW > 999.0
BD00845512 MW > 999.0
BD00845552 MW > 999.0
BD00845587 MW > 999.0
BD00845678 isotopes13c > 0
BD00845709 MW > 999.0
BD00845718 MW > 999.0
BD00845797 unacceptable_atom Se
BD00845801 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
Line #160 Failed to load mol
Line #367 Failed to load mol
BD00895957 unacceptable_atom Se
BD01151205 validation_error Explicit valence for atom # 10 O, 3, is greater than permitted
BD01151602 validation_error Explicit valence for atom # 6 C, 5, is greater than permitted
BD01152433 MW > 999.0
BD01154425 validation_error Explicit valence for atom # 16 N, 4, is greater than permitted
BD01154483 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD01155029 unacceptable_atom Ru
BD01155882 isotopes13c > 0
BD01155915 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
BD01156006 validation_error Explicit valence for atom # 17 N, 4, is greater than permitted
BD01156597 validation_error Explicit valence for atom # 23 C, 5, is greater than permitted
BD01156961 isotopes13c > 0
BD01157491 MW > 999.0
BD01158695 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01412725 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
Line #21 Failed to load mol
BD01414423 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
BD01415830 validation_error Explicit valence for atom # 1 F, 2, is greater than permitted
BD01417791 validation_error Explicit valence for atom # 7 F, 2, is greater than permitted
BD01418742 unacceptable_atom Se
BD01419497 validation_error Explicit valence for atom # 3 O, 3, is greater than permitted
BD01419706 MW > 999.0
BD01419844 validation_error Explicit valence for atom # 10 O, 3, is greater than permitted
BD00779203 no_acceptable_nonsalt_component
BD00779679 isotopes2h > 0
BD01344033 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01344658 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01345503 isotopes15n > 0
BD01346300 validation_error Explicit valence for atom # 7 C, 5, is greater than permitted
BD01347520 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01348718 no_acceptable_nonsalt_component
BD01351893 validation_error Explicit valence for atom # 7 O, 3, is greater than permitted
Line #320 Failed to load mol
Line #428 Failed to load mol
BD01357390 unacceptable_atom Ag
BD01106110 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD01106289 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01106361 isotopes15n > 0
BD01106599 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted
BD01106935 validation_error Explicit valence for atom # 13 F, 2, is greater than permitted
BD01107012 isotopes15n > 0
BD01107151 unacceptable_atom Fe
BD01107155 MW < 50.0
BD01107498 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD01107548 unacceptable_atom Cu
BD01107567 validation_error Explicit valence for atom # 35 C, 5, is greater than permitted
BD00737118 unacceptable_atom Ni
BD00923802 no_acceptable_nonsalt_component
BD01168760 MW > 999.0
BD01169399 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD01169428 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD01169632 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD01169746 validation_error Explicit valence for atom # 20 C, 6, is greater than permitted
Line #110 Failed to load mol
BD01171756 isotopes13c > 0
Line #217 Failed to load mol
BD01171854 isotopes2h > 0
BD01172046 isotopes13c > 0
BD01172130 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01172776 isotopes13c > 0
BD01173537 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD01173898 validation_error Explicit valence for atom # 18 O, 3, is greater than permitted
BD01174337 isotopes13c > 0
BD01176273 isotopes13c > 0
BD448069 MW > 999.0
BD448082 unacceptable_atom Se
BD448264 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD448276 unacceptable_atom Pt
BD448296 MW > 999.0
BD755842 MW > 999.0
BD756825 unacceptable_atom Cu
BD628587 MW > 999.0
BD00805914 unacceptable_atom Mn
Line #472 Failed to load mol
Line #62 Failed to load mol
BD490997 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD491006 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD491007 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD491029 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #63 Failed to load mol
BD00784445 unacceptable_atom Se
BD00864640 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD00983027 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD66393 MW > 999.0
Line #131 Failed to load mol
BD00795824 unacceptable_atom Fe
BD00995575 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
BD320859 ps > 0
BD320860 ps > 0
BD689557 MW > 999.0
BD689576 MW > 999.0
Line #356 Failed to load mol
BD00987131 unacceptable_atom Cu
BD00790878 validation_error Explicit valence for atom # 9 F, 2, is greater than permitted
BD764283 MW > 999.0
BD764640 ps > 0
BD22634 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD636876 unacceptable_atom Se
BD636878 unacceptable_atom Se
BD636879 unacceptable_atom Cu
BD00981605 isotopes13c > 0
BD00796768 unacceptable_atom Al
BD00796857 MW > 999.0
BD01054437 isotopes13c > 0
BD715600 unacceptable_atom Se
BD629449 unacceptable_atom Se
BD629451 unacceptable_atom Se
BD629458 unacceptable_atom Se
BD629459 unacceptable_atom Se
BD629464 unacceptable_atom Se
BD629588 unacceptable_atom Se
BD629622 unacceptable_atom Se
BD629623 unacceptable_atom Se
BD629624 unacceptable_atom Se
BD629625 unacceptable_atom Se
BD629626 unacceptable_atom Se
BD629627 unacceptable_atom Se
BD629629 unacceptable_atom Se
BD629882 MW > 999.0
BD630082 MW > 999.0
BD630237 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD630242 MW > 999.0
BD754106 unacceptable_atom Rh
BD00875108 MW > 999.0
BD00802910 validation_error Explicit valence for atom # 14 C, 5, is greater than permitted
BD00926856 MW > 999.0
BD00927469 no_acceptable_nonsalt_component
BD305702 MW > 999.0
Line #233 Failed to load mol
Line #252 Failed to load mol
BD306061 validation_error Explicit valence for atom # 25 N, 4, is greater than permitted
BD306096 MW > 999.0
BD306188 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD306197 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD306252 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD306277 validation_error Explicit valence for atom # 7 C, 5, is greater than permitted
BD306280 MW < 50.0
BD306292 no_acceptable_nonsalt_component
Line #347 Failed to load mol
BD01245174 MW > 999.0
BD01245454 MW > 999.0
BD01253163 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01253203 validation_error Explicit valence for atom # 6 C, 5, is greater than permitted
BD01256449 validation_error Explicit valence for atom # 21 N, 4, is greater than permitted
BD01260237 MW > 999.0
BD01260946 unacceptable_atom Co
BD01261920 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
BD01262418 MW > 999.0
Line #276 Failed to load mol
BD01266355 MW > 999.0
BD01268383 MW > 999.0
BD01268779 validation_error Explicit valence for atom # 48 N, 4, is greater than permitted
Line #464 Failed to load mol
BD02561833 ps > 0
Line #314 Failed to load mol
BD02569223 ps > 0
BD02572369 MW > 999.0
BD00884513 validation_error Explicit valence for atom # 15 O, 3, is greater than permitted
BD00764554 unacceptable_atom Se
BD00933906 unacceptable_atom Mn
BD01622829 isotopes13c > 0
BD01623027 MW > 999.0
Line #78 Failed to load mol
BD01636786 MW > 999.0
BD01637489 MW > 999.0
BD01640629 MW > 999.0
Line #226 Failed to load mol
Line #227 Failed to load mol
BD01647785 isotopes13c > 0
BD01659354 MW > 999.0
BD01709272 validation_error Explicit valence for atom # 6 C, 5, is greater than permitted
BD01713656 MW < 50.0
BD01811257 unacceptable_atom Zn
BD01815670 validation_error Explicit valence for atom # 10 O, 3, is greater than permitted
BD01816874 unacceptable_atom Zn
BD01824249 validation_error Explicit valence for atom # 15 O, 3, is greater than permitted
Line #385 Failed to load mol
Line #387 Failed to load mol
Line #390 Failed to load mol
BD01829488 unacceptable_atom Zn
BD01831334 unacceptable_atom Zn
BD01831728 unacceptable_atom Zn
BD01834567 unacceptable_atom Zn
Line #414 Failed to load mol
BD01839953 unacceptable_atom Zn
BD01840533 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
Line #441 Failed to load mol
BD01847942 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
BD01849455 unacceptable_atom Zn
BD01853066 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
Line #457 Failed to load mol
Line #464 Failed to load mol
BD01870463 validation_error Explicit valence for atom # 44 N, 4, is greater than permitted
Line #482 Failed to load mol
Line #484 Failed to load mol
Line #486 Failed to load mol
BD01874749 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #491 Failed to load mol
Line #496 Failed to load mol
Line #499 Failed to load mol
BD01112546 no_acceptable_nonsalt_component
Line #205 Failed to load mol
BD01113562 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01113604 validation_error Explicit valence for atom # 21 N, 4, is greater than permitted
Line #336 Failed to load mol
Line #343 Failed to load mol
BD01113935 validation_error Explicit valence for atom # 0 Br, 2, is greater than permitted
BD01114150 validation_error Explicit valence for atom # 30 N, 4, is greater than permitted
Line #392 Failed to load mol
BD01114252 validation_error Explicit valence for atom # 12 N, 4, is greater than permitted
BD01114294 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01114826 validation_error Explicit valence for atom # 3 C, 5, is greater than permitted
BD299674 MW > 999.0
BD00893385 unacceptable_atom Li
BD00939214 MW > 999.0
BD00939232 validation_error Explicit valence for atom # 5 C, 6, is greater than permitted
BD00939900 isotopes13c > 0
BD01101451 MW > 999.0
BD01102453 MW > 999.0
BD01102593 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01385559 validation_error Explicit valence for atom # 44 N, 4, is greater than permitted
Line #69 Failed to load mol
BD01386369 validation_error Explicit valence for atom # 7 F, 2, is greater than permitted
BD01386843 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01388015 MW > 999.0
BD01388616 MW > 999.0
BD01389632 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01390279 unacceptable_atom Ni
BD01391300 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01391313 isotopes13c > 0
BD01391814 MW > 999.0
Line #357 Failed to load mol
BD01392225 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01392404 MW > 999.0
BD01392789 unacceptable_atom Pt
BD01393396 MW > 999.0
BD01393579 validation_error Explicit valence for atom # 0 B, 7, is greater than permitted
BD01394704 sss > 0
BD585740 MW > 999.0
BD585745 validation_error Explicit valence for atom # 0 N, 4, is greater than permitted
BD293210 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD293358 MW > 999.0
BD293596 MW > 999.0
BD294259 unacceptable_atom Ru
BD61657 ps > 0
BD369987 validation_error Explicit valence for atom # 10 O, 3, is greater than permitted
BD00828975 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD00829443 unacceptable_atom Mg
BD00829660 validation_error Explicit valence for atom # 3 O, 3, is greater than permitted
BD00847638 unacceptable_atom Sr
BD00847726 MW > 999.0
BD00847875 validation_error Explicit valence for atom # 0 B, 7, is greater than permitted
BD00847944 MW > 999.0
BD00848303 unacceptable_atom Se
BD01076450 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD00842813 unacceptable_atom Ru
BD00816711 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD00817066 MW > 999.0
BD329937 MW > 999.0
BD235653 unacceptable_atom Pd
BD235654 unacceptable_atom Ir
BD00977149 validation_error Explicit valence for atom # 20 N, 4, is greater than permitted
BD00858018 MW > 999.0
BD00832049 MW > 999.0
BD00974022 unacceptable_atom Mn
BD00944406 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD00953282 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
BD00953341 isotopes13c > 0
BD00953653 validation_error Explicit valence for atom # 22 C, 6, is greater than permitted
Line #47 Failed to load mol
BD01093744 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01093959 validation_error Explicit valence for atom # 21 Br, 3, is greater than permitted
BD01093966 MW > 999.0
BD01094037 unacceptable_atom Pd
BD148340 MW > 999.0
BD148378 unacceptable_atom Pt
BD148384 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD148390 MW > 999.0
Line #73 Failed to load mol
Line #76 Failed to load mol
Line #77 Failed to load mol
Line #78 Failed to load mol
Line #81 Failed to load mol
Line #82 Failed to load mol
Line #85 Failed to load mol
BD148697 validation_error Explicit valence for atom # 1 F, 2, is greater than permitted
BD148742 unacceptable_atom K
BD148755 unacceptable_atom Ru
BD148789 unacceptable_atom Ir
BD148813 no_acceptable_nonsalt_component
BD148853 no_acceptable_nonsalt_component
BD148857 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD148873 no_acceptable_nonsalt_component
BD148901 no_acceptable_nonsalt_component
BD148906 validation_error Explicit valence for atom # 0 Br, 2, is greater than permitted
BD148911 unacceptable_atom Au
BD148917 unacceptable_atom Pt
BD149057 validation_error Explicit valence for atom # 14 N, 4, is greater than permitted
BD149400 MW > 999.0
BD149477 unacceptable_atom Pt
BD149496 unacceptable_atom Ni
BD150351 MW > 999.0
BD150371 unacceptable_atom Rh
BD150373 unacceptable_atom Rh
BD150377 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD150380 unacceptable_atom Rh
BD150381 unacceptable_atom Rh
BD150384 unacceptable_atom Rh
BD150389 unacceptable_atom Rh
BD150610 unacceptable_atom Ru
BD150951 unacceptable_atom Se
BD151016 unacceptable_atom Se
BD151018 unacceptable_atom Se
BD00961980 validation_error Explicit valence for atom # 0 B, 7, is greater than permitted
BD00909835 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01079159 validation_error Explicit valence for atom # 0 Br, 2, is greater than permitted
BD01079289 MW > 999.0
Line #25 Failed to load mol
BD119230 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD119624 no_acceptable_nonsalt_component
BD119632 no_acceptable_nonsalt_component
BD119667 unacceptable_atom Ca
BD119707 MW < 50.0
BD119721 no_acceptable_nonsalt_component
BD119722 no_acceptable_nonsalt_component
BD119734 no_acceptable_nonsalt_component
BD120035 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
Line #310 Failed to load mol
BD120717 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD120723 validation_error Explicit valence for atom # 22 C, 5, is greater than permitted
BD120725 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD120797 unacceptable_atom Ru
BD120932 unacceptable_atom Cu
BD120933 validation_error Explicit valence for atom # 10 N, 4, is greater than permitted
BD120975 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD121190 MW > 999.0
BD00955179 unacceptable_atom Mg
BD134086 MW < 50.0
BD134139 unacceptable_atom Ir
BD134582 unacceptable_atom In
BD134583 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
BD134649 MW > 999.0
BD134747 MW > 999.0
BD134881 unacceptable_atom Ir
BD134902 unacceptable_atom Fe
BD134939 unacceptable_atom Fe
BD134942 unacceptable_atom Fe
Line #162 Failed to load mol
Line #164 Failed to load mol
BD135792 isotopes13c > 0
Line #375 Failed to load mol
BD136440 unacceptable_atom Li
BD136478 MW < 50.0
BD136500 non-hydrogen_atoms < 4
BD136503 no_acceptable_nonsalt_component
BD136539 isotopes13c > 0
BD136977 no_acceptable_nonsalt_component
BD136978 no_acceptable_nonsalt_component
BD137013 validation_error Explicit valence for atom # 7 O, 3, is greater than permitted
BD137040 validation_error Explicit valence for atom # 0 N, 4, is greater than permitted
BD137082 no_acceptable_nonsalt_component
BD137173 unacceptable_atom Mn
BD137177 unacceptable_atom Mn
BD137179 unacceptable_atom Mn
BD137183 unacceptable_atom Mn
BD137184 unacceptable_atom Mn
BD137186 unacceptable_atom Mn
BD137187 unacceptable_atom Mn
BD137190 MW < 50.0
BD137191 unacceptable_atom Mn
BD137199 unacceptable_atom Mn
BD01085696 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01090238 MW > 999.0
BD01090547 MW > 999.0
BD01090614 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD01090660 MW > 999.0
Line #448 Failed to load mol
BD00949961 MW > 999.0
BD00950079 MW > 999.0
BD00950249 MW > 999.0
BD00898579 unacceptable_atom Se
BD125839 unacceptable_atom Se
BD125876 ps > 0
BD125962 no_acceptable_nonsalt_component
BD125985 sss > 0
BD126220 validation_error Explicit valence for atom # 10 N, 4, is greater than permitted
Line #319 Failed to load mol
BD593522 validation_error Explicit valence for atom # 13 N, 4, is greater than permitted
BD52788 isotopes13c > 0
BD00914925 unacceptable_atom Se
Line #53 Failed to load mol
BD00957919 unacceptable_atom Fe
BD00967774 unacceptable_atom Se
BD00846181 unacceptable_atom Se
BD00846697 MW > 999.0
BD00846709 isotopes13c > 0
BD00811649 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD00812257 validation_error Explicit valence for atom # 6 O, 5, is greater than permitted
BD00824293 validation_error Explicit valence for atom # 8 C, 5, is greater than permitted
BD00851112 validation_error Explicit valence for atom # 1 B, 4, is greater than permitted
BD00851373 unacceptable_atom Se
BD240916 MW > 999.0
BD9209 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD43896 validation_error Explicit valence for atom # 6 O, 3, is greater than permitted
BD00836132 unacceptable_atom Ni
BD00836159 unacceptable_atom Cu
BD00836287 MW > 999.0
BD00836522 isotopes13c > 0
BD00836641 isotopes13c > 0
BD239266 MW > 999.0
BD58879 unacceptable_atom Na
BD01288252 unacceptable_atom Sr
BD01289715 isotopes15n > 0
BD01291159 isotopes15n > 0
BD01293735 isotopes15n > 0
Line #220 Failed to load mol
BD01294601 validation_error Explicit valence for atom # 10 C, 5, is greater than permitted
BD01294608 MW > 999.0
BD01296030 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01297968 isotopes15n > 0
BD01300870 isotopes15n > 0
BD280486 unacceptable_atom Ca
BD00756531 no_acceptable_nonsalt_component
BD01177425 validation_error Explicit valence for atom # 0 B, 7, is greater than permitted
BD01177977 MW > 999.0
BD01178340 validation_error Explicit valence for atom # 8 C, 5, is greater than permitted
BD01179035 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01179098 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD01179855 isotopes13c > 0
BD01180508 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
Line #169 Failed to load mol
BD01181434 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD01182163 validation_error Explicit valence for atom # 3 O, 3, is greater than permitted
BD01182835 unacceptable_atom Pt
Line #304 Failed to load mol
BD01184030 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD01184087 unacceptable_atom Fe
BD01184329 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD01184516 isotopes13c > 0
BD01184639 validation_error Explicit valence for atom # 35 N, 4, is greater than permitted
BD01186049 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD02606955 unacceptable_atom Se
BD01107623 MW > 999.0
BD01107849 MW > 999.0
BD01107885 MW > 999.0
BD01107992 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD01108086 MW < 50.0
BD01108572 validation_error Explicit valence for atom # 11 F, 2, is greater than permitted
BD01108771 MW < 50.0
BD01108836 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01109019 isotopes2h > 0
Line #400 Failed to load mol
BD01109377 unacceptable_atom Au
Line #476 Failed to load mol
BD01328180 validation_error Explicit valence for atom # 9 N, 4, is greater than permitted
BD01328708 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01332680 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD01338574 unacceptable_atom Se
BD01341289 isotopes15n > 0
BD295779 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01444982 validation_error Explicit valence for atom # 35 N, 4, is greater than permitted
BD01446617 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD01449803 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD01450056 MW > 999.0
BD01452003 unacceptable_atom Zn
BD01455329 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #287 Failed to load mol
BD01456292 MW > 999.0
BD01456393 validation_error Explicit valence for atom # 8 F, 2, is greater than permitted
BD01456451 MW > 999.0
BD01457055 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01459605 MW > 999.0
BD01463081 MW > 999.0
BD01468453 validation_error Explicit valence for atom # 6 C, 5, is greater than permitted
BD01127358 isotopes2h > 0
BD01127439 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD01127456 isotopes13c > 0
BD01128229 MW > 999.0
BD01128898 validation_error Explicit valence for atom # 6 O, 3, is greater than permitted
BD01129210 validation_error Explicit valence for atom # 17 F, 2, is greater than permitted
BD01129509 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD01129533 isotopes13c > 0
Line #222 Failed to load mol
Line #254 Failed to load mol
Line #267 Failed to load mol
BD01130475 MW > 999.0
BD01130652 validation_error Explicit valence for atom # 9 N, 4, is greater than permitted
BD01130751 MW > 999.0
BD01131478 validation_error Explicit valence for atom # 12 N, 4, is greater than permitted
BD01131607 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
Line #380 Failed to load mol
BD01132500 MW > 999.0
BD01133368 isotopes13c > 0
BD01133826 MW > 999.0
BD00792884 MW > 999.0
BD759430 MW > 999.0
BD00864080 MW > 999.0
BD00864107 MW > 999.0
BD00864525 MW > 999.0
BD00864578 validation_error Explicit valence for atom # 8 C, 5, is greater than permitted
BD448840 validation_error Explicit valence for atom # 1 B, 7, is greater than permitted
BD449023 MW > 999.0
BD46415 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD46760 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD748744 MW > 999.0
BD748751 MW > 999.0
BD749364 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD749414 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD749415 unacceptable_atom Au
BD749418 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD749420 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD749428 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD749432 validation_error Explicit valence for atom # 11 Cl, 2, is greater than permitted
BD749436 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD749438 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted
BD749439 unacceptable_atom Co
BD749461 MW > 999.0
BD749465 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD749476 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD749491 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
BD749502 validation_error Explicit valence for atom # 0 N, 5, is greater than permitted
BD749553 validation_error Explicit valence for atom # 9 O, 3, is greater than permitted
BD749557 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD749561 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD749564 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD749569 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD749585 validation_error Explicit valence for atom # 15 Cl, 3, is greater than permitted
BD749600 unacceptable_atom Pt
BD749611 unacceptable_atom Ni
BD749621 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD749624 MW > 999.0
BD749625 MW > 999.0
BD749627 MW > 999.0
BD749628 MW > 999.0
BD749630 MW > 999.0
BD749632 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #494 Failed to load mol
BD633911 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD633915 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
BD633919 validation_error Explicit valence for atom # 29 C, 5, is greater than permitted
BD633922 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD633927 unacceptable_atom Rh
BD633928 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD633931 MW > 999.0
BD633946 validation_error Explicit valence for atom # 6 C, 5, is greater than permitted
BD633951 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD633952 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD633954 validation_error Explicit valence for atom # 11 C, 5, is greater than permitted
BD633965 validation_error Explicit valence for atom # 15 C, 5, is greater than permitted
BD633967 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD633985 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD633987 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD633996 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD633999 validation_error Explicit valence for atom # 31 C, 5, is greater than permitted
BD634006 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD634007 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD634014 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
BD634016 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD634017 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
BD634019 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634022 validation_error Explicit valence for atom # 10 N, 4, is greater than permitted
BD634026 validation_error Explicit valence for atom # 12 N, 4, is greater than permitted
BD634027 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
BD634029 validation_error Explicit valence for atom # 12 N, 4, is greater than permitted
BD634035 unacceptable_atom Pd
BD634039 unacceptable_atom Pt
BD634040 validation_error Explicit valence for atom # 6 O, 3, is greater than permitted
BD634045 unacceptable_atom Ir
BD634140 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD634141 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD634169 validation_error Explicit valence for atom # 6 C, 5, is greater than permitted
BD634362 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634394 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD634396 unacceptable_atom Ni
BD634399 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD634404 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634405 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD634408 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD634411 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD634412 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634414 unacceptable_atom Ru
BD634420 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634421 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634423 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634424 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD634425 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD634426 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD634430 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634434 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634435 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634436 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD634439 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD634440 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD634442 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD634445 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD634446 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634448 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634449 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634450 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634451 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634452 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634453 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD634454 validation_error Explicit valence for atom # 3 C, 5, is greater than permitted
BD634459 validation_error Explicit valence for atom # 5 Cl, 3, is greater than permitted
BD634460 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD634462 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD634463 unacceptable_atom Rh
BD634464 unacceptable_atom Rh
BD634491 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634496 validation_error Explicit valence for atom # 0 Br, 2, is greater than permitted
BD634499 validation_error Explicit valence for atom # 14 Cl, 2, is greater than permitted
BD634500 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD634501 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634502 validation_error Explicit valence for atom # 8 Cl, 2, is greater than permitted
BD634505 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634511 unacceptable_atom Au
BD634515 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634530 unacceptable_atom Ti
BD634535 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD634557 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD634558 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
BD634559 validation_error Explicit valence for atom # 8 C, 5, is greater than permitted
BD445216 ps > 0
BD445321 validation_error Explicit valence for atom # 7 C, 5, is greater than permitted
BD256979 unacceptable_atom Zn
BD317047 MW < 50.0
BD317048 MW < 50.0
BD317053 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD00993465 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
Line #39 Failed to load mol
BD00799449 isotopes2h > 0
BD635453 validation_error Explicit valence for atom # 11 N, 4, is greater than permitted
BD635502 unacceptable_atom Rh
BD635515 validation_error Explicit valence for atom # 8 C, 5, is greater than permitted
BD635528 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD635530 validation_error Explicit valence for atom # 11 Cl, 2, is greater than permitted
BD635533 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635534 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
BD635540 validation_error Explicit valence for atom # 22 N, 4, is greater than permitted
BD635541 unacceptable_atom Au
BD635542 unacceptable_atom Au
BD635543 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted
BD635544 unacceptable_atom Au
BD635546 unacceptable_atom Au
BD635547 unacceptable_atom Au
BD635549 unacceptable_atom Au
BD635550 unacceptable_atom Au
BD635551 unacceptable_atom Au
BD635552 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635553 validation_error Explicit valence for atom # 2 O, 4, is greater than permitted
BD635554 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635555 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635558 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635559 validation_error Explicit valence for atom # 0 O, 3, is greater than permitted
BD635561 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635562 unacceptable_atom Fe
BD635563 validation_error Explicit valence for atom # 9 C, 5, is greater than permitted
BD635564 validation_error Explicit valence for atom # 9 C, 5, is greater than permitted
BD635571 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635573 unacceptable_atom Pd
BD635574 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD635576 validation_error Explicit valence for atom # 3 C, 5, is greater than permitted
BD635577 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635578 unacceptable_atom Pd
BD635596 unacceptable_atom Pd
BD635597 unacceptable_atom Pd
BD635602 unacceptable_atom Rh
BD635612 validation_error Explicit valence for atom # 0 B, 7, is greater than permitted
BD635618 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635620 unacceptable_atom Rh
BD635626 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635627 unacceptable_atom Rh
BD635631 validation_error Explicit valence for atom # 10 C, 5, is greater than permitted
BD635633 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635635 unacceptable_atom Rh
BD635636 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635637 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
BD635640 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635641 unacceptable_atom Rh
BD635644 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635645 validation_error Explicit valence for atom # 2 N, 4, is greater than permitted
BD635651 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635653 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD635654 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD635655 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635656 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635657 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635658 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635659 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635664 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635665 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635666 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD635669 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD635670 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635673 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635674 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635675 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635678 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635680 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD635681 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD635684 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635685 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635686 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635687 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635691 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD635692 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635694 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635696 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635697 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635698 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635699 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635700 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635701 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635703 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635707 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635708 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635709 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635710 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635711 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635712 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635713 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635714 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635715 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635716 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635718 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635721 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635722 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635723 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD635724 validation_error Explicit valence for atom # 3 Cl, 2, is greater than permitted
BD635726 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635728 validation_error Explicit valence for atom # 6 O, 3, is greater than permitted
BD635730 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635733 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD635734 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635735 validation_error Explicit valence for atom # 11 C, 6, is greater than permitted
BD635738 unacceptable_atom Ni
BD635739 unacceptable_atom Ni
BD635741 validation_error Explicit valence for atom # 13 C, 5, is greater than permitted
BD635742 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD635743 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD635744 validation_error Explicit valence for atom # 4 C, 5, is greater than permitted
BD635747 validation_error Explicit valence for atom # 3 C, 5, is greater than permitted
BD635797 MW > 999.0
BD635838 MW > 999.0
BD635839 MW > 999.0
BD635888 MW > 999.0
BD635928 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD635931 unacceptable_atom Cu
BD635959 validation_error Explicit valence for atom # 1 O, 3, is greater than permitted
BD635960 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD635961 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD635965 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD635973 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD635993 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD636054 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD636074 validation_error Explicit valence for atom # 0 N, 4, is greater than permitted
BD636572 MW > 999.0
BD636573 MW > 999.0
BD636575 MW > 999.0
BD636589 MW > 999.0
BD227077 unacceptable_atom Cu
BD764759 validation_error Explicit valence for atom # 4 Cl, 2, is greater than permitted
BD764766 MW > 999.0
BD764869 MW > 999.0
BD764874 MW > 999.0
BD765732 MW > 999.0
BD766074 MW > 999.0
BD766179 MW > 999.0
BD766731 MW > 999.0
BD00789190 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
BD00862010 MW > 999.0
BD215165 MW > 999.0
BD583956 unacceptable_atom Se
BD01394895 no_acceptable_nonsalt_component
BD01396994 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01397809 MW > 999.0
BD01398198 validation_error Explicit valence for atom # 9 N, 4, is greater than permitted
BD01398202 validation_error Explicit valence for atom # 9 N, 4, is greater than permitted
Line #186 Failed to load mol
BD01400251 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted
BD01400447 no_acceptable_nonsalt_component
BD01400555 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
BD01400739 MW > 999.0
BD01400766 MW > 999.0
Line #376 Failed to load mol
Line #378 Failed to load mol
Line #380 Failed to load mol
Line #402 Failed to load mol
Line #449 Failed to load mol
BD01100009 validation_error Explicit valence for atom # 16 N, 4, is greater than permitted
BD01100023 MW > 999.0
BD01100239 non-hydrogen_atoms < 4
BD01100246 MW > 999.0
BD01100485 validation_error Explicit valence for atom # 16 C, 5, is greater than permitted
BD01100490 unacceptable_atom Fe
BD01101059 validation_error Explicit valence for atom # 2 O, 3, is greater than permitted
Line #423 Failed to load mol
BD01101212 unacceptable_atom Se
BD290127 MW > 999.0
BD290128 MW > 999.0
BD00940217 MW > 999.0
BD01122242 MW > 999.0
Line #40 Failed to load mol
Line #77 Failed to load mol
BD01122935 MW > 999.0
BD01122965 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD01123331 MW > 999.0
BD01123977 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01124102 validation_error Explicit valence for atom # 8 O, 3, is greater than permitted
BD01124125 validation_error Explicit valence for atom # 56 N, 4, is greater than permitted
BD01124430 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted
Line #259 Failed to load mol
BD01124559 MW > 999.0
Line #283 Failed to load mol
BD01124780 validation_error Explicit valence for atom # 11 O, 3, is greater than permitted
BD01125180 MW > 999.0
BD01125247 validation_error Explicit valence for atom # 17 F, 2, is greater than permitted
BD01125286 MW > 999.0
BD01125427 MW > 999.0
BD01125542 validation_error Explicit valence for atom # 28 Cl, 2, is greater than permitted
BD01125688 MW > 999.0
BD01126245 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01126415 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01127233 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD01470364 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD01494818 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #201 Failed to load mol
BD01508055 isotopes13c > 0
BD01512315 validation_error Explicit valence for atom # 4 N, 4, is greater than permitted
BD01520600 MW > 999.0
BD00782569 MW > 999.0
BD00782737 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD00929692 unacceptable_atom Mg
BD101456 unacceptable_atom V
Line #324 Failed to load mol
Line #325 Failed to load mol
Line #326 Failed to load mol
Line #327 Failed to load mol
Line #328 Failed to load mol
Line #329 Failed to load mol
Line #330 Failed to load mol
Line #331 Failed to load mol
BD302897 validation_error Explicit valence for atom # 17 C, 5, is greater than permitted
BD02573581 unacceptable_atom Se
BD02580752 unacceptable_atom Se
BD01215155 isotopes13c > 0
BD01216759 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD01218403 no_acceptable_nonsalt_component
Line #193 Failed to load mol
BD01222174 isotopes2h > 0
BD01223946 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD01224298 isotopes13c > 0
BD01225150 MW > 999.0
Line #294 Failed to load mol
BD01229587 isotopes2h > 0
BD01235076 unacceptable_atom Au
BD01236925 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
Line #424 Failed to load mol
Line #433 Failed to load mol
BD00928027 unacceptable_atom Na
BD00928176 MW > 999.0
Line #322 Failed to load mol
BD00928308 unacceptable_atom Mn
BD00928416 unacceptable_atom Pd
BD00838994 MW > 999.0
BD00839450 unacceptable_atom Ir
BD00839507 MW > 999.0
BD00839568 unacceptable_atom Ru
BD00839666 unacceptable_atom Na
BD434392 MW > 999.0
BD434603 unacceptable_atom Pd
BD434683 unacceptable_atom Ni
Line #211 Failed to load mol
BD434779 MW < 50.0
BD83463 MW > 999.0
BD00832429 MW > 999.0
BD00832607 MW > 999.0
BD00832643 unacceptable_atom Na
BD00857139 unacceptable_atom Se
BD398594 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD235100 unacceptable_atom Ir
BD235148 validation_error Explicit valence for atom # 0 C, 5, is greater than permitted
BD00817723 MW > 999.0
BD00841919 MW > 999.0
BD00842283 unacceptable_atom Ba
BD00842340 MW > 999.0
BD00842594 MW > 999.0
BD00972099 unacceptable_atom Se
BD1888 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD00850002 unacceptable_atom Li
BD00850178 MW > 999.0
BD00825384 MW > 999.0
BD00826185 MW > 999.0
BD00826298 unacceptable_atom Ca
Line #327 Failed to load mol
Line #130 Failed to load mol
BD246753 unacceptable_atom Rh
BD246755 unacceptable_atom Pd
BD246794 validation_error Explicit valence for atom # 10 N, 4, is greater than permitted
BD246796 validation_error Explicit valence for atom # 16 Cl, 2, is greater than permitted
BD246799 unacceptable_atom Pd
BD141662 unacceptable_atom Se
BD141695 isotopes13c > 0
BD116492 MW > 999.0
BD116494 MW > 999.0
BD116796 validation_error Explicit valence for atom # 3 N, 4, is greater than permitted
BD116828 validation_error Explicit valence for atom # 5 O, 3, is greater than permitted
BD116833 validation_error Explicit valence for atom # 4 O, 3, is greater than permitted
BD117040 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD117045 validation_error Explicit valence for atom # 7 N, 4, is greater than permitted
BD117128 unacceptable_atom Ni
BD117136 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD117159 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD117160 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted
BD117205 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD117211 unacceptable_atom Sr
BD117226 validation_error Explicit valence for atom # 0 F, 2, is greater than permitted
BD117257 unacceptable_atom Mn
BD117318 validation_error Explicit valence for atom # 1 O, 3, is greater than permitted
BD117319 unacceptable_atom Zn
BD117390 unacceptable_atom Bi
BD117393 unacceptable_atom Bi
BD117403 unacceptable_atom Bi
BD117652 isotopes15n > 0
BD117653 isotopes15n > 0
BD118603 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
Line #499 Failed to load mol
Line #125 Failed to load mol
BD00961472 unacceptable_atom Cu
BD00961887 MW > 999.0
BD00912419 unacceptable_atom Se
BD145892 ps > 0
BD145900 ps > 0
BD146070 isotopes13c > 0
BD146653 unacceptable_atom Pd
BD146656 unacceptable_atom Pd
BD146657 unacceptable_atom Pd
BD146988 MW > 999.0
BD146991 MW > 999.0
BD147079 validation_error Explicit valence for atom # 0 Cl, 2, is greater than permitted
BD147930 isotopes15n > 0
Line #82 Failed to load mol
BD01095024 unacceptable_atom Cu
BD01095153 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted
BD01095312 validation_error Explicit valence for atom # 7 C, 5, is greater than permitted
BD555703 unacceptable_atom Se
BD00952091 MW > 999.0
Line #196 Failed to load mol
BD00947347 isotopes15n > 0
BD00947653 isotopes15n > 0