Datasets:
Kinsleykinsley
/
dioxygenase_final

Dataset card Data Studio Files
xet
Community
1
Unnamed: 0
int64
0
12.1k
enzyme_class
stringclasses
1 value
pollutant
stringclasses
30 values
sequence
stringlengths
14
1.27k
reactant_descriptors
stringclasses
28 values
reactant_smiles
stringclasses
29 values
uniprot_ids
stringlengths
6
10
product_smiles
stringclasses
86 values
product_descriptors
stringclasses
86 values
0
dioxygenase
benzene
MTARNLAEWQNFVQGCIDFRPNDGVYRIARDMFTEPELFELEMELIFEKVWIYACHESEIPNNNDFVTVQIGRQPMIVSRDGKGELHAMVNACEHRGATLTRVAKGNQSVFTCPFHAWCYKSDGRLVKVKAPGEYCEDFDKSSRGLKQGRIASYRGFVFVSLDTQATDSLEDFLGDAKVFLDLMVDQSPTGELEVLQGKSAYTFAGNWKLQNENGLDGYHVSTVHYNYVSTVQHRQQVNAAKGDELDTLDYSKLGAGDSETDDGWFSFKNGHSVLFSDMPNPTVRPGYNTVMPYLVEKFGEKRAEWAMHRLRNLNLYPSLFFMDQISSQLRIIRPVAWNKTEVISQCIGVKGESSEARRNRIRQFEDFFNVSGLGTPDDLVEFREQQKGFQGRIERWSDISRGYHQWTYGPTQNSQDLGIEPVITGREFTHEGLYVNQHGQWQRLILDGLNKKALKMHDVTFDNQSVMDEV
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
O85673
['C(=O)=O', 'N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=CC=C(C(=C1)O)O']
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [35.0, 17.031, 0.16199999999999998, 1, 1, 0, 0, 0.0, 5.0221, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
1
dioxygenase
benzene
MNQTDTSPIRLRRSWNTSEIEALFDEHAGRIDPRIYTDEDLYQLELERVFARSWLLLGHETQIRKPGDYITTYMGEDPVVVVRQKDASIAVFLNQCRHRGMRICRADAGNAKAFTCSYHGWAYDTAGNLVNVPYEAESFACLNKKEWSPLKARVETYKGLIFANWDENAVDLDTYLGEAKFYMDHMLDRTEAGTEAIPGVQKWVIPCNWKFAAEQFCSDMYHAGTTSHLSGILAGLPEDLEMADLAPPTVGKQYRASWGGHGSGFYVGDPNLMLAIMGPKVTSYWTEGPASEKAAERLGSVERGSKLMVEHMTVFPTCSFLPGINTVRTWHPRGPNEVEVWAFTVVDADAPDDIKEEFRRQTLRTFSAGGVFEQDDGENWVEIQHILRGHKARSRPFNAEMSMDQTVDNDPVYPGRISNNVYSEEAARGLYAHWLRMMTSPDWDALKATR
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A5W4F2
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
2
dioxygenase
benzene
MQESIIQWHGATNTRVPFGIYTDTANADQEQQRIYRGEVWNYLCLESEIPGAGDFRTTFAGETPIVVVRDADQEIYAFENRCAHRGALIALEKSGRTDSFQCVYHAWSYNRQGDLTGVAFEKGVKGQGGMPASFCKEEHGPRKLRVAVFCGLVFGSFSEDVPSIEDYLGPEICERIERVLHKPVEVIGRFTQKLPNNWKLYFENVKDSYHASLLHMFFTTFELNRLSQKGGVIVDESGGHHVSYSMIDRGAKDDSYKDQAIRSDNERYRLKDPSLLEGFEEFEDGVTLQILSVFPGFVLQQIQNSIAVRQLLPKSISSSELNWTYLGYADDSAEQRKVRLKQANLIGPAGFISMEDGAVGGFVQRGIAGAANLDAVIEMGGDHEGSSEGRATETSVRGFWKAYRKHMGQEMQA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q3C1D5
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
3
dioxygenase
benzene
MNHQIHIHDSDIAFPCAPGQSVLDAALQAGIELPYSCRKGSCGNCASALLDGNITSFNGMAVRSELCTSEQVLLCGCTAASDIRIQPSSFRRLDPEARKRFTAKVYSNTLAAPDVSLLRLRLPVGKRAKFEAGQYLLIHLDDGESRSYSMANPPHESDGITLHVRHVPGGRFSTIVQQLKSGDTLEIELPFGSIALKPDDTRPLICVAGGTGFAPIKSVLDDLAKRKVQRDITLIWGARNPSGLYLPSAIDKWRKTWPQFRYIAAITDLGNVPADAHAGRVDDALRTHFGNLHDHVVHCCGSPSLVQSVRTAASDMGLLAQNFHADVFATSPTGSH
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q3C1E0
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
4
dioxygenase
benzene
MQESIIQWHGATNTRVPFGIYTDTANADQEQQRIYRGEVWNYLCLESEIPGAGDFRTTFAGETPIVVVRDADQEIYAFENRCAHRGALIALEKSGRTDSFQCVYHAWSYNRQGDLTGVAFEKGVKGQGGMPASFCKEEHGPRKLRVAVFCGLVFGSFSEDVPSIEDYLGPEICERIERVLHKPVEVIGRFTQKLPNNWKLYFENVKDSYHASLLHMFFTTFELNRLSQKGGVIVDESGGHHVSYSMIDRSAKDDSYKDQAIRSDNERYRLKDPSLLEGFEEFEDGVTLQILSVFPGFVLQQIQNSIAVRQLLPKSISSSELNWTYLGYADDSTEQRKVRLKQANLIGPAGFISMEDGAVGGFVQRGIAGAANLDAVIEMGGDHEGSSEGRATETSVRGFWKAYRKHMGQEMQA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q3C1E3
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
5
dioxygenase
benzene
MTDVQCEPALAGRKPKWADADIAELVDERTGRLDPRIYTDEALYEQELERIFGRSWLLMGHETQIPKAGDFMTNYMGEDPVMVVRQKNGEIRVFLNQCRHRGMRICRADGGNAKSFTCSYHGWAYDTGGNLVSVPFEEQAFPGLRKEDWGPLQARVETYKGLIFANWDADAPDLDTYLGEAKFYMDHMLDRTEAGTEAIPGIQKWVIPCNWKFAAEQFCSDMYHAGTTSHLSGILAGLPDGVDLSELAPPTEGIQYRATWGGHGSGFYIGDPNLLLAIMGPKVTEYWTQGPAAEKASERLGSTERGQQLMAQHMTIFPTCSFLPGINTIRAWHPRGPNEIEVWAFTVVDADAPEEMKEEYRQQTLRTFSAGGVFEQDDGENWVEIQQVLRGHKARSRPFNAEMGLGQTDSDNPDYPGTISYVYSEEAARGLYTQWVRMMTSPDWAALDATRPAVSESTHT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q53122
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=C[C@@H]([C@@H](C(=C1)C2=CC=C(C=C2)Cl)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC=C(C=C1)C2=CC=C[C@@H]([C@@H]2O)O']
[[364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 222.671, 2.0150000000000006, 2, 2, 1, 1, 0.16666666666666666, 60.58260000000003, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [40.46, 188.22599999999997, 1.3616, 2, 2, 1, 1, 0.16666666666666666, 55.57260000000003, 0]]
6
dioxygenase
benzene
MIDSANRADVFLRKPAPVAPELQHEVEQFYYWEAKLLNDRRFEEWFALLAEDIHYFMPIRTTRIMRDSRLEYSGSREYAHFDDDATMMKGRLRKITSDVSWSENPASRTRHLVSNVMIVGAEAEGEYEISSAFIVYRNRLERQLDIFAGERRDTLRRNTSEAGFEIVNRTILIDQSTILANNLSFFF
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A5W4F1
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
7
dioxygenase
benzene
MNQTDTSPIRLRRSWNTSEIEALFDEHAGRIDPRIYTDEDLYQLELERVFARSWLLLGHETQIRKPGDYITTYMGEDPVVVVRQKDASIAVFLNQCRHRGMRICRADAGNAKAFTCSYHGWAYDTAGNLVNVPYEAESFACLNKKEWSPLKARVETYKGLIFANWDENAVDLDTYLGEAKFYMDHMLDRTEAGTEAIPGVQKWVIPCNWKFAAEQFCSDMYHAGTTSHLSGILAGLPEDLEMADLAPPTVGKQYRASWGGHGSGFYVGDPNLMLAIMGPKVTSYWTEGPASEKAAERLGSVERGSKLMVEHMTVFPTCSFLPGINTVRTWHPRGPNEVEVWAFTVVDADAPDDIKEEFRRQTLRTFSAGGVFEQDDGENWVEIQHILRGHKARSRPFNAEMSMDQTVDNDPVYPGRISNNVYSEEAARGLYAHWLRMMTSPDWDALKATR
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A5W4F2
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
8
dioxygenase
benzene
MIDSANRADVFLRKPAPVAPELQHEVEQFYYWEAKLLNDRRFEEWFALLAEDIHYFMPIRTTRIMRDSRLEYSGSREYAHFDDDATMMKGRLRKITSDVSWSENPASRTRHLVSNVMIVGAEAEGEYEISSAFIVYRNRLERQLDIFAGERRDTLRRNTSEAGFEIVNRTILIDQSTILANNLSFFF
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A5W4F1
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
9
dioxygenase
benzene
MSIRSLGYMGFAVSDVAAWRSFLTQKLGLMEAGTTDNGDLFRIDSRAWRIAVQQGEVDDLAFAGYEVADAAGLAQMADKLKQAGIAVTTGDASLARRRGVTGLITFADPFGLPLEIYYGASEVFEKPFLPGAAVSGFLTGEQGLGHFVRCVPDSDKALAFYTDVLGFQLSDVIDMKMGPDVTVPAYFLHCNERHHTLAIAAFPLPKRIHHFMLEVASLDDVGFAFDRVDADGLITSTLGRHTNDHMVSFYASTPSGVEVEYGWSARTVDRSWVVVRHDSPSMWGHKSVRDKAAARNKA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P47228
['C1=CC=C(C=C1)/C(=C/C=C\\C(=O)C(=O)O)/O', 'C1=CC(=CC=C1/C(=C/C=C/C(=O)C(=O)O)/O)Cl']
[[74.60000000000001, 218.20799999999994, 1.7954, 2, 3, 4, 1, 0.0, 58.83060000000001, 0], [74.60000000000001, 252.65299999999996, 2.4488, 2, 3, 4, 1, 0.0, 63.8406, 0]]
10
dioxygenase
benzene
MFNIQSDDLLHHFEADSNDTLLSAALRAELVFPYECNSGGCGACKIELLEGEVSNLWPDAPGLAARELRKNRFLACQCKPLSDLKIKVINRAEGRASHPPKRFSTRVVSKRFLSDEMFELRLEAEQKVVFSPGQYFMVDVPELGTRAYSAANPVDGNTLTLIVKAVPNGKVSCALANETIETLQLDGPYGLSVLKTADETQSVFIAGGSGIAPMVSMVNTLIAQGYEKPITVFYGSRLEAELEAAETLFGWKENLKLINVSSSVVGNSEKKYPTGYVHEIIPEYMEGLLGAEFYLCGPPQMINSVQKLLMIENKVPFEAIHFDRFF
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q03304
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
11
dioxygenase
benzene
MINEIQIAAFNAAYAKTIDSDAMEQWPTFFTKDCHYCVTNVDNHDEGLAAGIVWADSQDMLTDRISALREANIYERHRYRHILGLPSIQSGDATQASASTPFMVLRIMHTGETEVFASGEYLDKFTTIDGKLRLQERIAVCDSTVTDTLMALPL
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q3C1D4
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
12
dioxygenase
benzene
MINEIQIAAFNAAYAKTVDSDAMEQWPTFFTKDCHYRVTNVDNHAEGLAAGIVWADSQDMLTDRISALREANIYERHRYRHILGLPSIQSGDATQASASTPFMVLRIMHTGETEVFASGEYLDKFTTIDGKLRLQERIAVCDSTVTDTLMALPL
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q3C1E2
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
13
dioxygenase
benzene
MSTPLIAGTGPSAVRQLISNAVQNDPVSGNFRCRRDIFTDAALFDYEMKYIFEQNWVFLAHESQVANPDDYLVSNIGRQPVIITRNKAGDVSAVINACSHRGAELCRRKQGNRSTFTCQFHGWTFSNTGKLLKVKDGQDDNYPEGFNVDGSHDLTRIPSFANYRGFLFGSMNPDACPIEEHLGGSKAILDQVIDQTPGELEVLRGSSSYIYDGNWKLQIENGADGYHVGSVHWNYVATIGRRDRTSDTIRTVDVTTWSKKNIGGTYTFEHGHMLLWTRLPNPEVRPVFARREELKARVGEEVADAIVNQTRNLCIYPNLYVMDQISTQIRVVRPISVDKTEVTIYCFAPRDESEEVRNARIRQYEDFFNVSGMGTPDDLEEFRACQSGYRGSAREWNDLSRGAPHWISGPDDNARRLGLAPLMSGARMEDEGLFVQQHTYWAETMLRGIEAEPKVFNVQPVEVAQ
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q51601
['C(=O)=O', 'C1=CC=C(C(=C1)O)O', '[Cl-]', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0], [0.0, 35.453, -2.996, 0, 0, 0, 0, 0.0, 0.0, -1], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
14
dioxygenase
benzene
MEQTASPVVFAARDDASDVHFPHDDGSRVPYKVFSSRAVYDREQERIFRGPTWNFVALEAEIPNAGDFKSTFVGDTPVVVTRTEDGALSAWVNRCAHRGAQVCRKSRGNASSHTCVYHQWSFDNEGNLLGVPFRRGQKGMTGMPADFDPKQHGLRKLRVDSYRGLVFATFSDDVAPLPDYLGAQMRPWIDRIFHKPIEYLGCTRQYSKSNWKLYMENVKDPYHASMLHLFHTTFNIFRVGMKARSIPDANHGLHSIITVTKTGDDTSAAYKQQNIRSFDEGFHLEDESILDLVSEYDEDCTNHIQPIFPQLVIQQIHNTLVARQILPKGPDNFELIFHFFGYADDTPELRALRIKQANLVGPAGYISMEDTEATELVQRGTVRDADATSVIEMSRGNPEQQDTVITESLIRKFWVGYQKLMGY
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q84BZ3
['C(=O)=O', 'N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=CC=C(C(=C1)O)O']
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [35.0, 17.031, 0.16199999999999998, 1, 1, 0, 0, 0.0, 5.0221, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
15
dioxygenase
benzene
MMQLPERVEGLHHITVATGSAQGDVDLLVKTLGQRLVKKTMFYDGARPVYHLYFGNELGEPGTLYTTFPVRQAGYTGKRGAGQISAVSYNAPVGTLSWWQEHLIKRAVTVSEVRERFGQKYLSFEHPDCGVGFEIIEQDTDGQFEPWDSPYVPKEVALRGFHSWTATLNRNEEMDSFMRNAWNLKPQGRDGNYQRYAFGNGGAAKVLDVYIDEDERPGTWALGEGQVHHAAFEVADLDVQAALKFDVEGLGYTDFSDRKHRGYFESIYVRTPGGVLFEASVTLGFTHDESPEKLGSEVKVAPQLEGVKDELLRTMNDPIVI
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q9WXE6
['C(=C\\C(=O)O)\\C(=O)/C=C/O']
[[74.6, 142.10999999999999, 0.268, 2, 3, 3, 0, 0.0, 33.551599999999986, 0]]
16
dioxygenase
benzene
MTTEAQPSDLYYGDYLQLGRLLGAQAPLSRRQGSEAHDEMLFIIVHQTYELWFRQILHELDAVLQAFSAARLDERRLASICAKLERISVIQHLLVEQISVIETMAPQDFLEFRDLLVPASGFQSLQFRAIEIKLGLREQDRTAFSACAFYQRFKPADARYLRALHTEPSLFDQVDAWLARMPFLQDKHYDFWSSYRNSIEASLSADQQLIKTHPQLSADDKERQLAQLTQTRQQFDCLFLPEAYESQRTQGLVRLSHRAIQAALFIYLYRDEPLLQQPFGLLKLLVEVDEQLTAWRYRHALMVQRMLGRRIGTGGSSGHDYLRTSAERTQIFGDFFNLASYLLPRSKLAPLPAELTRLLDFHFSTLHRDA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1A9EV69
['C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)NC=O']
[[109.49000000000001, 236.227, 0.23959999999999998, 3, 4, 6, 1, 0.18181818181818182, 60.68740000000001, 0]]
17
dioxygenase
benzene
MSDGCRAQAADRQQVNLDDEKVHWDQNMSYGQYLALEPLLACQNPVSDQHDEMLFIVIHQASELWMKLCLHEAYGAAKHIREDNLRPAFKMLSRVARIQEQLINAWEVLVTMTPADYASFRDDLGQSSGFQSYQYRELEFLLGNKNARMIEAHRAHAQHYAHLQAVLKAPSLYDITLALLQKRGFDIPASHLQRDWSEPYSACPQVEAAWSEIYRNTSKYWDLYELAEKLVDMEYNFQKWRFSHMKTVERIIGYRHGTGGTAGVKYLVKALDLQFFPELWSVRTSV
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1A9EWH4
['C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)NC=O']
[[109.49000000000001, 236.227, 0.23959999999999998, 3, 4, 6, 1, 0.18181818181818182, 60.68740000000001, 0]]
18
dioxygenase
benzene
MSKVLVLYYSTYGHLETMAQAVAEGARSAGATVDVKRVPETVPQEIARSAHFKLDQSAPVATVAELENYDAIIVGAPTRFGRMPSQMGSFLDQAGGLWARGALNGKVGAAFTSTATQHGGQETTLFSIITNLLHFGMVIVGLPYSFQGQMTLDEVVGGAPYGATTIAGGQGQRQPSATELDGARFQGRLVAETANKLFGG
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A6M6I5I3
['B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)Cl', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'CC1=C(C2=CC=CC=C2C(=C1C/C=C(\\C)/CCC=C(C)C)O)O', 'CC1=C(C2=CC=CC=C2C(=C1C/C=C(\\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N']
[[44.760000000000005, 296.55899999999997, 2.4258000000000006, 0, 4, 2, 1, 0.5, 78.50750000000004, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [40.46, 310.43699999999995, 5.794620000000005, 2, 2, 5, 2, 0.3333333333333333, 98.14060000000005, 0], [40.46, 452.7230000000003, 9.487319999999995, 2, 2, 14, 2, 0.6129032258064516, 144.19459999999995, 0], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1]]
19
dioxygenase
benzene
MSYTKANITKRKFDVVIVGAGGSGMRASLELSRAGLNVACLSKVFPTRSHTVAAQGGVSASLGNMSEDNWHYHFYDTIKGGDWLSDQDAVEFMCREAPKVVIELEHFGMPFDRNPDGTIYQRPFGGHTANYGEKPVQRACAAADRTGHAMLHTLYQKNVESKTNFFVEWMALDLIRDAEGDVVGVTALELETGDLYELHAKAVLLATGGAGRIFAASTNAFINTGDGLGMAARAGIPLQDLEFWQFHPTGVAGAGVLLTEGCRGEGAILLNSNGERFMERYAPTLKDLAPRDFVSRSMDQEIKEGRGCGPNKDYILMKLDHLGADTIRKRLPSVEEIGHNFANVDITKEPIPVVPTIHYQMGGIPTNIHGQVVTWDGEKNNVVNGLYAVGECAAVSVHGANRLGTNSLLDLLVFGKSAGKHIVQFVGGYGEHKAVPADGSDRTLARLNQLEESKDGVYAQDLANDIRQTMQQHAGVFRTQKGMDEGVVKINAIRERVGTVTLKDKSKVWNTARMEALEVDNLIEVAQATMTSAAARQECRGAHTVDDYEHPADHPDFPLGRNDKEWLKHTLWHSASNSLSYKPVNMKPLTVDSIPPKVRTF
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A6M6I7X6
['C(=C/C(=O)O)\\C(=O)O', 'B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)Cl']
[[74.6, 116.07199999999997, -0.28819999999999985, 2, 2, 2, 0, 0.0, 24.411599999999993, 0], [44.760000000000005, 296.55899999999997, 2.4258000000000006, 0, 4, 2, 1, 0.5, 78.50750000000004, 0]]
20
dioxygenase
benzene
MTAWIDNLLFGLYPYICLAVFFIGSWARFDRDQYSWKSDSSQLLRRGSLRWGSNLFHVGVLVLFFGHFVGMLTPHALYEPFMSAGAKQIMAMVVGGVAGTLGFIGVTLLLHRRLTDARIRATSKTSDILLLWVLWVQLALGLATIPLSAQHLDGSMMMLLAEWAQRIVTFRGGAVELLANAGWVFKAHMFLGMTVFLIFPFTRLVHVWSGFGTLAYITRPYQLVRARRMNLPAGHNQPGNRNAL
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A6M6I9W3
['N(=O)O', 'O', 'C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N)O']
[[49.66, 47.013000000000005, 0.14200000000000002, 1, 2, 0, 0, 0.0, 7.5815, 0], [31.5, 18.015, -0.8247, 0, 0, 0, 0, 0.0, 3.6138, 0], [135.39999999999998, 348.391, 2.7951600000000005, 3, 7, 4, 3, 0.058823529411764705, 93.3289, 0]]
21
dioxygenase
benzene
MSLLPYALARSFLFGMDAEAAHELTMDMLARGQRTPLQWAWCNETVSDPIELAGLRFPNRVGLAAGLDKNARCIDALAAMGFGFVEVGTVTPRAQPGNPKPRMFRLPEARALINRLGFNNEGLDAFVANVQRSQVRTQGRGQSKLLLGLNIGKNATTPIEDATRDYLTCLEGVYPHADYVTVNISSPNTQNLRALQSDAALDGLLGAIAEHREQLAAAQGRRVPIFVKIAPDLDEAQVAVIATTLQRHGMDGVVATNTTIRRDAVQGLRHAGETGGLSGAPVLEASNAVIRQLRAALGPAFPIIGVGGILSAEDAVSKIRAGADVVQIYTGLIYEGPALVGRAAKAIRDLR
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A6M6IA00
['C1=C(NC(=O)NC1=O)C(=O)O', 'B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)Cl']
[[103.02, 156.09699999999998, -1.2386000000000001, 3, 3, 1, 1, 0.0, 34.64269999999999, 0], [44.760000000000005, 296.55899999999997, 2.4258000000000006, 0, 4, 2, 1, 0.5, 78.50750000000004, 0]]
22
dioxygenase
benzene
MSTTHFGFQSVQEEDKARHVRGVFDSVAPKYDLMNDLMSAGLHRAWKAYTVMVANLREGDQVLDIAGGTGDLSLAFSKKVGATGRVVHTDINEAMLRVGRDRLINEGVVLPTTVCDAEHLPFPDNHFDLVSVAFGLRNMTHKDAALREMCRVLKPRGRLLVLEFSRVAKPLEKAYDWYSFQVLPRLGKLVAGDDSSYRYLAESIRMHPGQEELKSLMQQSGFGHVDYHNMTGGIVALHVGIKC
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A6M6IG37
['CC1=C(C2=CC=CC=C2C(=C1C/C=C(\\C)/CCC=C(C)C)O)O', 'C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N']
[[40.46, 310.43699999999995, 5.794620000000005, 2, 2, 5, 2, 0.3333333333333333, 98.14060000000005, 0], [182.63, 384.4180000000001, -1.4370999999999974, 5, 11, 7, 2, 0.5714285714285714, 93.21220000000004, 0]]
23
dioxygenase
benzene
MKILHTMLRVGHLERSIAFYTQVLGMSLLRRSENPEYRYSLAFLGYEGGNPAQAELELTFNWDTEQYDMGTAYGHIAIGVPDAYAACEKIKAAGGQVTREAGPVKGGSTVIAFVTDPDGYKIELIQRAEDQAGVGLR
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A7C9NWI5
['C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N', 'CC(=O)C=O']
[[158.82000000000002, 307.32800000000003, -2.2060999999999984, 6, 6, 9, 0, 0.6, 71.27440000000003, 0], [34.14, 72.063, -0.2257, 0, 2, 1, 0, 0.3333333333333333, 16.745, 0]]
24
dioxygenase
benzene
MTLALVCTSHSPLLEFNNPPPEVRTEVDRAFAQARQFIEDYDPDLVVSFAPDHYNGFFYKLMPSFCIGFEASGVGDFGSSAGRLDVPSALAEQMAQSVLDQGVDIAVSLEMEVDHGAVQPLEILLGGIATKPVIPIFVNSVAAPFAPMKRIRLLGEAVGTFLKNFDGNVLLLGSGGLSHDPPVPRLEAATGEQRKMLLGGRHPTAAARAVRQQRVIDTAKAFTRGEAGIMDLAPEWDRQLLDILASGELERLDAWTAKEMAATAGNSAHEVRTWVAAHNALKAAAGQYTVTSEYYRPIPEYIAGFAVTTAVPVHTTAGLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
C1BDZ9
['C(CC(=O)O)C(=O)/C=C\\C=C(/C(=O)O)\\O']
[[111.9, 214.17299999999997, 0.5029999999999999, 3, 4, 6, 0, 0.2222222222222222, 49.3644, 0]]
25
dioxygenase
benzene
MSLELHFAVSQFLYKKAELCDNYDWDAYIDLYDEDSEYHIPQWIDDHNYVQDPNQGLSYIYYEDRSGLEDRVFRIRTGKAASATPLPRTQHNIHNVQVKTLEDGLIEAKVSWRTLYNRQGLEGCFYGRATYVLRPTEDSFRIRRQHSVLLNDKIDSVLDFYHV
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
O85674
['C(=O)=O', 'N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=CC=C(C(=C1)O)O']
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [35.0, 17.031, 0.16199999999999998, 1, 1, 0, 0, 0.0, 5.0221, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
26
dioxygenase
benzene
MNKGVMRPGHVQLRVLDMSKALEHYVELLGLIEMDRDDQGRVYLKAWTEVDKFSLVLREADEPGMDFMGFKVVDEDALRQLERDLMAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGLNDVNPEAWPRDLKGMAAVRFDHALMYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLSTKAHDVAFIHHPEKGRLHHVSFHLETWEDLLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYPDHKPVTWTTDQLGKAIFYHDRILNERFMTVLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P06622
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
27
dioxygenase
benzene
MATHVAIIGNGVGGFTTAQALRAEGFEGRISLIGDEPHLPYDRPSLSKAVLDGSLERPPILAEADWYGEARIDMLTGPEVTALDVQTRTISLDDGTTLSADAIVIATGSRARTMALPGSQLPGVVTLRTYGDVQVLRDSWTSATRLLIVGGGLIGCEVATTARKLGLSVTILEAGDELLVRVLGRRIGAWLRGLLTELGVQVELGTGVVGFSGEGQLEQVMASDGRSFVADSALICVGAEPADQLARQAGLACDRGVIVDHCGATLAKGYSPSEMWPVGAAAGGRRSLETYMNAQRQAAAVAAAILGKNVSAPQLPVSWTEIAGHRMQMAGDIEGPGDFVSRGMPGSGAALLFRLQERRIQAVVAVDAPRDFALATRLVEARAAIEPARLADLSNSMRDFVRANEGDLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P08087
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
28
dioxygenase
benzene
MNKGVMRPGHVQLRVLDMGKALEHYVELLGLIEMDRDDQGRVYLKAWTEVDKFSVVLREADEPGMDFMGFKVVDEDSLNRLTDDLLNFGCLIENVAAGELKGCGRRVRFQAPSGHHFELYADKEYTGKWGVSEVNPEAWPRDLKGMAAVRFDHCLLYGDELQATYELFTEVLGFYLAEQVVDADGIRLAQFLSLSTKAHDVAFIHHAEKGKFHHASFFLDTWEDVLRAADLISMTDTSIDIGPTRHGLTQGKTIYFFDPSGNRCEVFCGGNYNYPDHKPVTWLAKDVGKAIFYHDRVLNERFMTVMT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P08127
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
29
dioxygenase
benzene
MATHVAIIGNGVGGFTTAQALRAEGFEGRISLIGDEPHLPYDRPSLSKAVLDGSLERPPILAEADWYGEARIDMLTGPEVTALDVQTRTISLDDGTTLSADAIVIATGSRARTMALPGSQLPGVVTLRTYGDVQVLRDSWTSATRLLIVGGGLIGCEVATTARKLGLSVTILEAGDELLVRVLGRRIGAWLRGLLTELGVQVELGTGVVGFSGEGQLEQVMASDGRSFVADSALICVGAEPADQLARQAGLACDRGVIVDHCGATLAKGYSPSEMWPVGAAAGGRRSLETYMNAQRQAAAVAAAILGKNVSAPQLPVSWTEIAGHRMQMAGDIEGPGDFVSRGMPGSGAALLFRLQERRIQAVVAVDAPRDFALATRLVEARAAIEPARLADLSNSMRDFVRANEGDLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P08087
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
30
dioxygenase
benzene
MKKGVMRPGHVQLRVLNLESALAHYRDLLGLIEMDRDEQGRVYLKAWTEVDKFSVVLREADQPGMDFMGFKVIDEDCLNRLTQDLLNYGCLIETIPAGELKGCGRRVRFQTPSGHFFELYADKEYTGKWGLEEINPEAWPRNLKGMRAVRFDHCLLYGDELQATYALFTEVLGFYLAEQVIDDDGTRVAQFLSLSTKAHDVAFIHCPEKGKFHHVSFFLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYQDHKPVTWLAKDLGKAIFYHDRVLNERFLTVLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P17262
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
31
dioxygenase
benzene
MNKGIMRPGHVQLRVLDMSKALEHYVELLGLIEMDRDDQGRVYLKAWTEVDKFSVVLRERDEPGMDFMGFKVVDEDALRQLERDLTAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMAAVRFDHCLLYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLSTKAHDVAFIHHPEKGRLHHVSFHLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRSEVFCGGNYSYPDHKPVTWLAKDLGKAIFYHDRVLNERFMTVLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P27887
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
32
dioxygenase
benzene
MTSIHEDTHIGYAKLTIRSLERSLQFYCNVIGFQVLKKTDRQAELTADGKRVLLILEENPSAVVLPERSVTGLYHFAILLPDRKELGIALARLIEHGIAIGHGDHAVSEALYLSDPDGNGIEMYADRPRSTWQRDREGNYVMTTTAVDIEGLLEEAGDERKTSLPNDTIIGHIHLHVSDLKEAKAFYTDVLGFDIVGNYAGMSALFVSAGGYHHHIGLNIWAGRNAPPKPTNASGLDYYTVVLPHQEELDLVANRVKHAGYSIEETENSFRVKDPVSGAYITFVI
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P54721
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
33
dioxygenase
benzene
MKKGVMRPGHVQLRVLNLEAALTHYRDLLGLIEMDRDEQGRVYLKAWSEVDKFSVVLREADQPGMDFMGFKVTDDACLTRLAGELLEFGCQVEEIPAGELKDCGRRVRFLAPSGHFFELYAEKEYTGKWGIEEVNPEAWPRDLKGMRAVRFDHCLMYGDELQATYELFTEVLGFYLAEQVIEDNGTRISQFLSLSTKAHDVAFIQHAEKGKFHHVSFFLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYPDHKPVTWTADQLGKAIFYHDRILNERFMTVLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q04285
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
34
dioxygenase
benzene
MSSSEQLDDGFTGLKVIAKTEIAQGIFRFELAHPQGMLLPAFTAGAHLRVRVPNGSIRNYSLSNDPQERERYVIAVKRDANGRGGSVSMADDIEAGDLLPVATPQNEFELIENARQFIFVAGGIGITPILSMMRHLKASTDLPFKLYYCTRNPELTAFRDELLGAEFANTVVIHHDFGNRADAYDFWPVFDKPSSGTHVYCCGPRPLMDSVLDMTGHWPPGSIHFESFGVDQSRFAENRPFSVTLGRSGIDLEIPVDRSILEVLRDNGIRAPSSCESGTCGSCRTRLIEGDVEHRDMVLREDEQHDQIMICVSRARNDVLVLDL
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q05182
['C1=C(C(=C[C@@H]([C@@H]1O)O)C(=O)O)C(=O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[115.06000000000002, 200.146, -1.2562000000000002, 4, 4, 2, 0, 0.25, 43.45120000000001, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
35
dioxygenase
benzene
MLTPEENLLLCRVEGDAPMGQMMRRHWTPVCLLEEVSEPDGTPVRARLFGEDLVVFRDTDGRVGVMDEYCPHRRVSLIYGRNENSGLRCLYHGWKMDVDGNVVEMVSEPAASNMCQKVKHTAYKTREWGGFVWAYMGPQDAIPEFVPPAWAPHEHVRVSIAKAIIPCNWAQILEGAIDSAHSSSLHSSDFVPARVGGAEATSKNWLRPSTDKAPRMQVERTSYGFRYAALRRPIQNAATSEYVRSTVFVAPATALIPPNNLYNVANINVPIDDTHTAFYFMAWGNPDNTPETETWRKFLGQQVGIDLDDSYRPLRNDGNRFFQDREAMKNGNFTGIKGFPNQDIAMWVTMGPIADRSDERLGASDLAVVEFRRVMLDALAAFQAGESAIGTGEKAIPSRICSFQAIVSKDIDWRDYQARYVWALDDANIVAEPDYEVHT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q05183
['C1=C(C(=C[C@@H]([C@@H]1O)O)C(=O)O)C(=O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[115.06000000000002, 200.146, -1.2562000000000002, 4, 4, 2, 0, 0.25, 43.45120000000001, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
36
dioxygenase
benzene
MNQTETTPIRVRKNWKTSEIETLFDEQAGRIDPRIYTDEDLYQLELERVFARSWLLLGHETHIRKPGDYFTTYMGEDPVVVVRQKDASIAVFLNQCRHRGMRICRSDAGNAKAFTCSYHGWAYDTAGNLINVPYEAESFACLDKKEWSPLKARVETYKGLIFANWDENAIDLDTYLGEAKFYMDHMLDRTEAGTEVIPGIQKWVIPCNWKFAAEQFCSDMYHAGTTAHLSGIIAGLPEDLELADLAPPKFGKQYRASWGGHGSGFYIGDPNMMLAMMGPKVTSYLTEGPAAEKAAERLGSIERGTKIMLEHMTVFPTCSFLPGVNTIRTWHPRGPNEVEVWAFTVVDADAPDDIKEEFRRQTLRTFSAGGVFEQDDGENWVEIQHILRGHKARSRPFNAEMSMGQTVDNDPIYPGRISNNVYSEEAARGLYAHWLKMMTSPDWEALKATR
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q07944
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
37
dioxygenase
benzene
MIDSVNRADLFLRKPAPVALELQNEIEQFYYWEAKLLNDRRFDEWFALLAKDIHYFMPIRTTRIMRDSRLEYSGLRDYAHFDDDATMMKGRLRKITSDVSWSENPASRTRHIVSNVMIIPTEVEGEYEISSTFIVYRNRLERQLDIFAGERRDRLRRNKGEAGFEIVNRTILIDQSTILANNLSFFF
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q07945
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
38
dioxygenase
benzene
MANHVAIIGNGVAGFTTAQALRAEGYEGRISLIGEEQHLPYDRPSLSKAVLDGSFEQPPRLAEADWYSEASIEMLTGSEVTDLDTQKKMISLNDGSTISADAIVIATGSRARMLSLPGSQLPGVVTLRTYGDVQLLRDSWTPNTRLLIVGGGLIGCEVATTARKLGLSVTILEAGDELLVRVLGRRIGAWLRGLLTEQGVQVELKTGVSGFSGEGQLEKVMVNDGRSFIADNALICVGADPADQLARQAGLECDRGVVVDHRGATSAKGIFAVGDVATWPLHSGGKRSLETYMNAQRQATAVAKAILGKEVSAPQLPVSWTEIAGHRMQMAGDIEGPGEYVLRGTLGIGSALLFRLLDGRIQAVVAVDAPRDFALANRLVEAQVIIEPEKLADVSNNMRDIVRANEGNQK
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q07946
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
39
dioxygenase
benzene
MTSDIVVIGGGVAGVTAAQSLRSEGYDGRLVLIGKERELPYDRTALSKAVLAGDLADPPLLFPADWYDEWQIETVLDRTVLQVDVTRREVLLDGGPWLKVDRVLLATGASARVPSFSGSDLPGVATLRTADDVHRMRRDWEPGQRLVVVGGGLIGCEVATTARKLGLEVSILEASDELLQRVLGRRIGGWCRARLMELGISVVLNTGVAEFKGVDRITTVIGTDGRSFVADRAIVCVGAEPETAIAEQSGLACNRGILVNDSGGTAAEGVFAAGDVASWPLLTGGRRSLETYINSQREATAVASAMLGKAVHGPQLPLSWTEMAGHRIQMIGDIEGSGEYVMRGDPDDGPALLFRLSDGRVTAAVSVDAPRDFAMATRLVERGAQVGREVLGDTSMELRELNRAARERALIAE
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q0S032
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
40
dioxygenase
benzene
MTSLESSYLDVVAFIFREARLLDDRSWDEWLECYDPEAVFWMPCWDDADTLVDDPRKHVSLIYYSDRMGLEDRVFRLRSERSGASTPEPRTTHNIANVEILERTERQIEARFNWHTMNYRYKLLDHYFGTSFYTLKVSSSGLSILNKKVVLKNDLIHQVIDVYHV
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q51602
['C(=O)=O', 'C1=CC=C(C(=C1)O)O', '[Cl-]', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0], [0.0, 35.453, -2.996, 0, 0, 0, 0, 0.0, 0.0, -1], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
41
dioxygenase
benzene
MIDAESPTTAFRTKPAPVDPSLQHEIEQFYYWEAKLLNDRRFQEWFDLLAEDIHYFMPIRTTRIMRETAQEYSGAREYAHFDDNAQMMRGRLRKITSDVSWSENPASRTRHVISNVMIVDGEKPGEYHVSSVFIVYRNRLERQLDIFAGERKDILRRTGSEAGFELAKRTILIDQSTILSNNLSFFF
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q53123
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=C[C@@H]([C@@H](C(=C1)C2=CC=C(C=C2)Cl)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC=C(C=C1)C2=CC=C[C@@H]([C@@H]2O)O']
[[364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 222.671, 2.0150000000000006, 2, 2, 1, 1, 0.16666666666666666, 60.58260000000003, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [40.46, 188.22599999999997, 1.3616, 2, 2, 1, 1, 0.16666666666666666, 55.57260000000003, 0]]
42
dioxygenase
benzene
MHTTDTETFEEQFAIEQRLVDSVVASFDSTTDPRLKELMQSLTRHLHAFIREVRLSEDEWSNAIAFLTAVGNITDDRRQEFILLSDVLGVSMQTIAVSNPAYEDATESTVFGPFFVEDAPEVTLGGDIAGGATGQPCWIEGTVTDTAGNPVPEARIEVWQNDEDGFYDVQYSDGRVSGRAHLFSDAHGRYRFWGMTPVPYPIPSDGPVGKMLAATNRSPMRVAHLHFMVTADGLRTLVTHIFVAGDPQLERGDSVFGVKDSLIKDFVEQPPGTPTPDGRHIGDRNWARCEFDIVLAPEQI
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q6F4M7
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\O', 'C(C(=O)/C=C\\C(=O)O)C(=O)O']
[[94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0], [91.67, 158.10899999999998, -0.32900000000000024, 2, 3, 4, 0, 0.16666666666666666, 34.03559999999999, 0]]
43
dioxygenase
benzene
MSYQVTIEPIGTTIEVEEDQTILDAALRQGVWLPFACGHGTCGTCKVQVTDGFYDVGEASPFALMDIERDENKVLACCCKPQSDMVIEADVDEDPDFLGHLVQDYQATVIEIKDLSPTIKGIRLQLDRPIEFQAGQYINVQFPNIEGTRAFSIANSPSEVGIVELHIRKVEGGAATTYVHEQLATGDQLDISGPYGQFFVRKSDDQNAIFIAGGSGLSSPQSMILDLLESGDSRTIYLFQGARDLAELYNRELFEQLVKDYPNFRYIPALNAPKPEDQWTGFTGFVHEAVADYFENRCGGHKAYLCGPPIMIDSAISTLMQSRLFERDIHTERFLSAADGAAGQSRSALFKHI
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q7WTJ2
['CC1=C(C(=CC=C1)O)O', 'O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'CC1=CC(=C(C=C1)O)O', 'C1=CC=C(C(=C1)O)O']
[[40.46, 124.13899999999995, 1.4062199999999994, 2, 2, 0, 1, 0.14285714285714285, 34.508599999999994, 0], [31.5, 18.015, -0.8247, 0, 0, 0, 0, 0.0, 3.6138, 0], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 124.13899999999997, 1.4062199999999998, 2, 2, 0, 1, 0.14285714285714285, 34.508599999999994, 0], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
44
dioxygenase
benzene
MTLEIKTSNVEPIRQNYAYIERRFGSKPATRYQEVSFDVQAETNFHYRPLWKPEKTLNDKTHTALQMQDWYAFKDPRQFYYGTYVQHRARLQDTAESNFAFFEKRQLAEHLSNEVKAKVIECLLPFRHVEQTANLHMMSGSAYGYGTVLTQACIYAAMDHLGIAQYISRIGLALDGNSGDSLQQAKQAWMQHPAWQGLRRLCEESLTEQDYFKLFLLQNLVIDGFVTELVYQQFDQWLVSQNARDLAMLTEFMKDTLGDLRKWSDTVIKTAAAESDHNKQLLNEWFTESLAQVKAAFTPWATAALTVDAVDQAEQAVIERAKKLGLQPLTNA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q7WTJ6
['O', 'C1=CC=C(C(=C1)O)O', 'C1=CC=C(C=C1)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
[[31.5, 18.015, -0.8247, 0, 0, 0, 0, 0.0, 3.6138, 0], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0], [20.23, 94.11299999999997, 1.3921999999999997, 1, 1, 0, 1, 0.0, 28.106799999999993, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
45
dioxygenase
benzene
MENLTEDMKTWFEIYMLQNRYIGHLDNDRLERWPEMFTEDCTYEIVPKENADLGLPVGIVHCTNQRMLRDRVVSLRHANIYEEHTYRHMTSGLAIVAQRDGEIDTESNYVVVQTRSNGESNVYQAGKYYDTVVRTPDGLRYKAKRVIYDTSRVQTLLATPI
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q84BZ2
['C(=O)=O', 'N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=CC=C(C(=C1)O)O']
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [35.0, 17.031, 0.16199999999999998, 1, 1, 0, 0, 0.0, 5.0221, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
46
dioxygenase
benzene
MTTTTADHNISAQQKAVEENLVNRVLQSFDACENPRLKQLMESLVVHLHDFIRDVRLTEDEWNYAIDFLTAVGHITDDKRQEFVLLSDTLGASMQTIAVNNEAYENSTEATVFGPFFLDDAPEVELGGDIAGGAQGQAAWIEGTVTDTEGNPVPNARIEVWECDEDGLYDVQYADERMAGRAYMHTDANGDYRFWGLTPVPYPIPHDGPVGNMLKAVGRSPVRCAHLHFMVTAPELRTLVTHIFVEGDPQLEIGDSVFGVKDSLIKKFEEQAPGTPTPDGRDLGDQTWARTRFDIVLAPGA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q8NL92
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\O', 'C(C(=O)/C=C\\C(=O)O)C(=O)O']
[[94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0], [91.67, 158.10899999999998, -0.32900000000000024, 2, 3, 4, 0, 0.16666666666666666, 34.03559999999999, 0]]
47
dioxygenase
benzene
MTISAQQQAVEEDLVERVLASFDSCENPRLKLVMKSLTVHLHDFIRDVRLTEEEWNYAIDFLTKVGHITDDKRQEFVLLSDTLGASMQTIAVNNEAYEDATEATVFGPFFVDDAPLVQNGDDIAFGAVGQPAWVEGTVKDTEGNPIPNARIEVWECDEDGLYDVQYADERSAGRAHLYSDENGEYHFWGLTPVPYPIPHDGPVGQMLQAVGRSPVRCAHLHFMVTAPEKRTLVTHIFVEGDPQLEIGDSVFGVKDSLIKKFVEQPAGTATPDGRDVGDQTWARTRFDIVLAPGNV
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q8NR92
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\O', 'C(C(=O)/C=C\\C(=O)O)C(=O)O']
[[94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0], [91.67, 158.10899999999998, -0.32900000000000024, 2, 3, 4, 0, 0.16666666666666666, 34.03559999999999, 0]]
48
dioxygenase
benzene
MNRDTSPDLHYLSGFGNEFASEALPGALPVGQNSPQKAPYGLYAELLSGTAFTMTRSELRRTWLYRIRPSALHPRFERLARQPLTGPLGPITPNRLRWNPQPIPVEPTDFIEGWLPMVANAAAEKPAGVSIYIYRANRSMERVFFNADGELLLVPQQGRLRIATELGVMEVEPLEIAVIPRGMKFRVELLDGEARGYIAENHGAPLRIPDLGPIGSNGLANPRDFLTPVAHYEEADGPVQLVQKFLGEHWACELQHSPLDVVAWHGSNVPYKYDLRRFNTIGTVSFDHPDPSIFTVLTSPTSVHGMANMDFVIFPPRWMVAENTFRPPWFHRNLMNEFMGLINGAYDAKAEGFLPGGASLHGVMSAHGPDAETCEKAIAADLAPHKIDNTMAFMFETSQVLRPSLQALECPQLQADYDSCWATLPSTFNPNRR
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q307Q0
['C(C(=O)CC(=O)O)C(=O)/C=C\\C(=O)O']
[[108.74, 200.146, -0.3698000000000002, 2, 4, 6, 0, 0.25, 43.659600000000005, 0]]
49
dioxygenase
benzene
MKKGVMRPGHVQLRVLNLESALAHYRDLLGLIEMDRDEQGRVYLKAWTEVDKFSVVLREADQPGMDFMGFKVIDEDCLNRLTQDLLNYGCLIETIPAGELKGCGRRVRFQTPSGHFFELYADKEYTGKWGLEEINPEAWPRNLKGMRAVRFDHCLLYGDELQATYALFTEVLGFYLAEQVIDDDGTRVAQFLSLSTKAHDVAFIHCPEKGKFHHVSFFLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYQDHKPVTWLAKDLGKAIFYHDRVLNERFLTVLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
P17262
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
50
dioxygenase
benzene
MKTVINRILVDTAKIVEDLEITQDEFWKAVDYLNRLGGRHEAGLLIAGLGLEHYLDLLQDAKDEQEGLTGGTPRTIEGPLYVAGAPIAQGVTRMDDGSEDGVATPMFLQGRVTGPDGQPVAGAVVDLWHANTKGNYSYFDKSQSEYNLRRRIVTDENGYYRARSIVPSGYGCSPDGPTQELLDMLGRHGQRPAHIHFFISAPGHRHLTTQINLAGDKYLWDDFAYATREGLVGDIRFVDDAEAARSRGVQGRFAEIDFDFQLQKAPAPHAEQRSQRPRALQQA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A0G2UE60
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
51
dioxygenase
benzene
MKKGVMRPGHIQLRVLNLESALAHYRDLLGLIEVDRDDFGRVYLKAWTEVDKFSLVLREADEPGMDFMGFKVVDEDALRQLERDLTAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMAAVRFDHALMYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLSTKAHDVAFIHHPEKGRLHHVSFHLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYPDHKPVTWTTDQLGKAIFYHDRILNERFMTVLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A0S2UNZ0
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
52
dioxygenase
benzene
MTVKISQTAEIQKFFEEAAGYGNDNGSPRLKQIVLRVLQDTAKIIEDLEVTDDEFWTAVDYLNRLGGRGEAGLLVAGLGIEHFIDLLNDAKDAQIGKTGGTPRTIEGPLYVAGAPIVEGEARMDDGSEDGVATVMFLEGQVLDLDGKPIAGATVDLWHANTKGNYSYFDQSQSEYNLRRRIITDAEGRYRARSIVPSGYGCDPQGPTQECLDQLGRHGQRPAHIHFFISAPGYRHLTTQINLSGDQYLWDDFAYATRDGLVGEVKFAENVRGIDGRVAELEFSFQLQKAASAEDEQRSQRPRALQVQGA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A127MR49
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
53
dioxygenase
benzene
MTVKISRTAEIQTFFEEAAGLRNEQGNPRLKQIVLRILQDTARLVEDLEITDDEFWTAVDYLNRLGNRGEAGLLVAGLGIEHFLDLLSDARDAEAGRTGGTPRTIEGPLYVAGAPLSEGEARMDDGSDAGIPMFLAGRVLDLRGQPIAGATVDVWHANTKGLYSYFDPSQAEYNLRRRIRTDAQGCYRVRSIVPSGYGCPADGPTQQCLDQLGRHGQRPAHIHFFISAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGEVNFVENAHGIAGRCAEVVFDFQLQPASEATDERRSQRPRALQVQGA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1A5D2G1
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
54
dioxygenase
benzene
MTVKISQTAEIQKFFEEAAGYGNDNGSPRLKQIVLRVLQDTAKIIEDLEVTDDEFWTAVDYLNRLGGRGEAGLLVAGLGIEHFIDLLNDAKDAQIGKTGGTPRTIEGPLYVAGAPIVEGEARMDDGSEDGMATVMFLEGQVLDLDGKPIAGATVDLWHANTKGNYSYFDQSQSEYNLRRRIITDAEGRYRARSIVPSGYGCDPQGPTQECLDQLGRHGQRPAHIHFFISAPGYRHLTTQINLSGDQYLWDDFAYATRDGLVGEVKFAENVRGIDGRVAELEFSFQLQKAASAEDEQRSQRPRALQVQGA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1A5D5D6
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
55
dioxygenase
benzene
MKTALATVTISGSLQEKLRAAAQAGFDGVEIFENDLTQFDGTARDLRLMAEDLGLEIIALQPFRDFEAMPEPWRTQNFYRAQRKFELMHELGTKRLLICSNVSPHVIDDRDRAAADLHELAELARQQDFIIGYEALAWGRHVADYDVAWDIIKRADHPNLGINLDTFHMFARGNTLDVLRDEIPIDKIALVQVADAPRLQMEVLHYSRHFRCFPGQGDLPVVEFVQCLKDKGFDDYLSHEIFNDEFRSSSPLEKAVDGMRSLIWLDEQTSATPAQAAALEPAAAPAPQPEITDVEFIEFAVEGDSGAELVALLQSLGFRETHRHRSKNVSLMRQGDINLVLNREPLSQAHEHYQAHGVSICALAFATTDLGAMLARTERYRSSRFANQAGPGELNIPAIRGIGDSLVYFVERPGKFRFFDIDFVALDDTGESSVGLQRIDHIGQTVSNTDFLSASFFYKSLFGFEVEASTDLPDIYGLVVSRVAKSRDGRVRIPLNMTAAREASAQRFIHKAKGSGVQQIAFACEDIFAAATAVGAEQLLPIPQNYYRDLDARFAPEPDVLARLRSLNILYDRNDDGEFFHFYTREAHGVFFEVVQRIGNYDRYGEANAHIRMASQARQYRRDEGL
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1A9EV95
['O', 'C1=CC(=C(C=C1C(=O)O)O)O\nC1=CC(=C(C=C1C(=O)O)O)[O-]']
[[31.5, 18.015, -0.8247, 0, 0, 0, 0, 0.0, 3.6138, 0], [77.76, 154.12099999999998, 0.7959999999999998, 3, 3, 1, 1, 0.0, 36.7309, 0]]
56
dioxygenase
benzene
MRILHTMLRVTDLQKSISFYTELMGMRLLRRKDYPAGKFTLAFLGYGDEKDTTVLELTHNWDTSSYELGTAYGHIAIEVDDVYAACDSIKTRGGQVVREAGPMKGGTSILAFVKDPDGYMIELLDPKRLD
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1A9F1F0
['C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N', 'CC(=O)C=O']
[[158.82000000000002, 307.32800000000003, -2.2060999999999984, 6, 6, 9, 0, 0.6, 71.27440000000003, 0], [34.14, 72.063, -0.2257, 0, 2, 1, 0, 0.3333333333333333, 16.745, 0]]
57
dioxygenase
benzene
MNKGIMRPGHVQLRVLDMSKALEHYVELLGLIEMDRDDQGRVYLKAWTEVDKFSVVLREADEPGMDFMGFKVVDEDALRQLERDLTAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMAAVRFDHCLLYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLSTKAHDVAFIHHPEKGRLHHVSFYLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRSEVFCGGNYSYPDHKPVTWLAKDLGKAIFYHDRVLNERFMTVLT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q83U22
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
58
dioxygenase
benzene
MRKGVLRPGHVQIRVMDMQQALKHYVELVGLIQTHQDAQGRVYLKGWTETERFSVVLVEAAEPGMDFTGFKVIDEPTLARLSRDLVAFGCQVEQIPAGELDFCGRRVRFLAPTGHWIELYAEKEYTGRWGVREVNPEAWPRGLRGMRAMSFDHCQLHGGDLLQTRELFCDVLGFHLTEQIVNEEGRSVADWLSLSIKAHDIAFVDDGNVGAFHHAAFLLDTWEALLRAGDLLSMTDTSLDVGPTRHGITHGQSMYFFDPSGNRNEVFAGGDFHYPDQKPVTWLEKDLGKAIFYHSRVLNERFLTVMT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1A9KDU7
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
59
dioxygenase
benzene
MTVKISRTAEIQTFFEEAAGLRNEQGNPRLKQIVLRILQDTARLVEDLEITDDEFWTAVDYLNRLGNRGEAGLLVAGLGIEHFLDLLSDARDAEAGRTGGTPRTIEGPLYVAGAPLSEGEARMDDGSDAGIPMFLAGRVLDLRGQPIAGATVDVWHANTKGLYSYFDPSQAEYNLRRRIRTDAEGRYRARSIVPSGYGCPADGPTQQCLDQLGRHGQRPAHIHFFISAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGEVNFVENAHGIAGRCAEVVFDFQLQPASEATDERRSQRPRALQVQGA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
Q2QK77
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
60
dioxygenase
benzene
MGVLRIGHASLKVMDMAAALNHYEKVLGLKNMMTDKAGNVYLKCWDEWDKFSLILTPSDQAGLNHVAYKVEKDADLDALQKTIEAWGVKTTMLDEGALPSVGRMLQFNLPSGHEFRLYAHKEFVGTDVGSLNPDPWPDGVRGAGAHWLDHCLLMCEMNPEAGINTVAENTRFMTECLNFFLTEQVLVGPEANIQAATWMATTTTPHDIAFVGGPRSGLHHIAYFLDSWHDVLKAADIMAKNKVRIDVAPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQRDRPVTTWSEDKLGSGIFYHTGDLVPSFTDVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1D2SAB6
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
61
dioxygenase
benzene
MSMTGVLRPGHAQIRVLDLEESVKWYTDVMGLKPMGRDSQGRAYFKTRAERDHNSVILRQADHAGMDFFGFKVLDKATLDNLEKKLQAYGVATERVPAGDLLETGERVRFKIPTGHTIELYAEKTAVGSGVGCTNPDMDVIDQPGITPIRLDHCLIYGDDLDGARDLFVNVLGFTLVERVKLEDGKTDLAVWLTCSAKAHDIAIVRHSEKDKMHHVSFQLGTWEQVLRAADIMSKNRVSLDIGPTRHGITNGTTIYFFEPSGNRLETFSGGYDHYPDMEPITWTWDEVGAGIFYHDRKLNDAFLSVVT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1D2U9J9
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
62
dioxygenase
benzene
MAITGVLRPGHVAIRVLDMEAALNHYVNVLGLIEVARDEARKRVFLKAWDELDHHSVVLRETDEAGMDYMGWKVDSAATLERLAGDIERSGLCSDLGWVEAGEHPCTGRRFRFTIPTGHVMELYADKTVTGNNCGTDGPDVNPMPWPDGLRGIAPSRFDHCLLYGDDLDGTVKLFTEVLGFGLAEQVMAGPERNFMIGAFLSCANKAHDVAFIRQPVKGKFHHASFILNSWESVLRAADILSRNKTSIDMGPTRHGITRGETIYFFDPSGNRNEVFAGGYIYYPDKPTITWTDEELGPAIFYHDRKLNEAFLSVFT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1D2UIH3
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
63
dioxygenase
benzene
MTSDLVQSRAAQTLLDKVSGVLQEGGDPRVKQIVRRIVSDLYTVIDEFDVSPDEFWLTLGFLQNGAPEFGLIAPGLGFDHFLDMRMDEQDRRRGIETGTPRTIEGPLYVPGAPLAQGFARLDDGSDTGEVLVMHGCVRDAAGQPVADAVVDVWHANTLGNYSHFDTSQTPYNNRRRIRSGADGRYKFQSIVPSGYAVPPQGTTERLLGCIGRHGQRPAHIHFFVSAPGCRLLTTQINIDGDPYLHDDFALATRDGLIPAIVRHDDPESMQAEGLNTPYSEIEFDFTLTASVDPGDTGLHARPRVPALESAAA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1E4JFM0
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
64
dioxygenase
benzene
MALTGVLRPGYVQLRVLDLDEAIQHYRDRIGLNLVSVEGGRAFFQAFDEFDRHSIILREADSAGLDRMAFKVAKDADLDHFAERLLDMGVHVEIIPAGEDPGVGRKIRFNTPTAHVFDLYAEMELSETGPAVRNPDVWIAEPRGMRATRFDHCALNGVDISASAKIFVEALDFSVTEELLDEASGTRLGIFLSCSNKAHDVAFLGYPEDGRIHHTSFNLESWHDVGHAADIISRYDISLDIGPTRHGITRGQTIYFFDPSGNRNETFSGGYTYYPDNPRRMWQAENAGKAIFYYEKALNDRFMTVNT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1E4MB92
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
65
dioxygenase
benzene
MASQLVQESGVQSYLDRIAGVDEAGGDVRTKAIVRRIVSDLFTTIDDFDVTAEEFWHALHFLQEAAPEFGLIAPGLGFDHFLDIRMDRADKAAGIAGGTPRTIEGPLYVPGAPLAKSFARLDDGTDTGETLIMHGRVFDLDGKPVAGAIVDVWHANTKGGYSVFDPSQTAYNNRRRIETGADGSYKFRSIVPSGYSVPPQGGTDRLLSAIGRHGNRPAHIHFFVSAPGHRHLTTQININGDPYLHDDFAFATHDDLIPEIVRREEPEAIHAENLNGPFSEIAFDFVLHPAADTAETELMARHRAPAVAA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1E4MGZ1
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
66
dioxygenase
benzene
MGVMRIGHASLRVMDMVAAVRHYEKVLGLTTTMVDKAGNTYLKCWDEWDKYSLVLTPSDRAGLNHVAYKVEKDADLDTLRRRIEEWGVRTTMLPEGTLPSTGRMLQFNLPSGHEMRLYAMKEYVGTEVGTTNPDPWPDGIKGAGAHWLDHLLLMCEMNPPEGINTVADNTRFMTEALDFFLTEQVLVGPNGDMQAATWMTRTTTPHDIAFVGGPKSGLHHIAYFLDNWNDVLKAADVMAKNRTKIDVAPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQRDRPVTTWTEDQLGTGIFYHTGEMVASFTDVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1E4PEG5
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
67
dioxygenase
benzene
MSVKIFDRPDVQDFLKVLSGLANDSGNPRVKQIIHRLMSDLFKAIDDLDITPDEYWTAIAWVNEIGAAGQAGLISPGLGLDHFLDERLDAIDDALGIKNETPRTIEGPLYVAGAPVSQGFARLDDGTDANGHTLIMQGTVYGADGKPLPGASVEVWHCDTRGFYSHFDPTGKQAPFNMRRTIIADVNGCYKFRSIVPHGYGVPPGSPTEKLLSALGRHGQRPAHIHFFISADDHRKLTTQINIAGDPLVNDDFAYATRDGLVPEVTERTDEASIRANDLSGPFAEIEFDFRLTALVNGVDNQVNEQRKRAAA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1M3PHR2
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
68
dioxygenase
benzene
MNRQEIDTLVKQMNVDTATAEVDQRVQTIVVRLLGDLFQAIEDLDIQPSEVWKGLEYFTDAGQANELGLLAAGLGLEHYLDLRADEADAKAGISGGTPRTIEGPLYVAGAPESVGFARMDDGSESDKIDTLIIEGTVTDTDGNVIEGAKVEVWHANSLGNYSFFDKSQSDFNLRRTILADAEGKYVALTTMPVGYGCPPEGTTQFVLNKLGRHGNRPSHVHYFVSAPGFRKLTTQFNIEGDQYLWDDFAFATRDGLVATAIDVSDQAEIQGRGLDKPFKHITFNIELVKDAATAPSTEVDRRRASA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
N9LYV2
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
69
dioxygenase
benzene
MAMTGVLRPGHAQIRVLDLEESVQWYTNVMGLQPMGRDKQGRAYFKTRNERDHHSIILRQADQAGLDFFGYKVLDKATLDDLEKKLQAHGVKTERIPAGDLLETGERVRFQIPTGHTLELYAEKKDVGNGMGYTDPEVDVLDGPGIRPIRMDHALIYGGDIDGNVKLFTEVLGFTLVERVKLEDGTTDLAVWLTCSAKAHDIAMVRHAEDAKLHHVAFQMPSWESVLRAADIMSVNRVSIDIGPTRHGITQGTTIYFFDPSGNRLETFCGGYDHYPDMHPITWTWDEVGRGIFYHDRKLNDAFLSVVT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Q3R8E4
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
70
dioxygenase
benzene
MGVFRTGFVQLRVPDLAAASKYYSEVLGLVETDREADRVYFKGWDEHDHHSLIIRQDERPGLDCFALKAEGPEDLQQFENKLETKGIKVDRISTGERLAQGEGFSFEDRSGHRVVVYYTMKKVGNGLPLENPDPYPQGLKGIAAPRLDHLLMTTPNAAEDLDFYKDVFGFRLTEQVVTPDGNPIAIWLERSHTPHDIAFIPGRPGGFHHMAYWLDSWYEIGKAADVMAQHNVKIDAGPTRHGITRGHTIYFFDPCGNRNEVFTGGYVPDADNPPITWSVDKLWTGIFYWDRSERGSFTEVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Q3TVJ9
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
71
dioxygenase
benzene
MAMTDVLRPGILQLRVLDLEEAIAHYRDRIGLDLVEVAPDGRAYLKAYDEFDRHSIVLRQADESGLDTVAFKVSSGTALDALALRLRNAGIATTTIPEGEQPGVGRRVRFAVPTGHRIELYATIALSDQGPMVTNPDLWRTEPRGMRVLRFDHCLLHGGDIEGTAKILTDVLGFATSEVAVTPDGQPIAIFLSCGMKAHDIALVRHHEDGKLHHVSFLLESWSDIGHAADLIAQHNISLDIGPTRHGATRGQTIYFFDPSGNRNEVFSGGYQFYPDNPTRTWTADQAGKAIFYYDKKLNDTFLSVVT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Q3V2X7
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
72
dioxygenase
benzene
MSMTGVLRPGHAQIRVLDLEESVKWYTDVMGLKPMGRDSQGRAYFKTRAERDHNSVILRQADHAGMDFFGFKVLDKATLDNLEKKLQAYGVATERVPAGDLLETGERVRFKIPTGHTIELYAEKTAVGSGVGCTNPDMDVIDQPGITPIRLDHCLIYGDDLDGARDLFVNVLGFTLVERVKLEDGKTDLAVWLTCSAKAHDIAIVRHSEKDKMHHVSFQLGTWEQVLRAADIMSKNRVSLDIGPTRHGITNGTTIYFFEPSGNRLETFSGGYDHYPDMEPITWTWDEVGAGIFYHDRKLNDAFLSVVT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1D2U9J9
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
73
dioxygenase
benzene
MGILRLAHIDVRTPDLDLATAYYTDVMGLQQVQRGSVDGADAVYFKCWDEEDHHSLRMRYNPRTGMDSFTFRVEAEDDLHDYEKKLADYGCQVSRVSRGEAVGQGESIRFEVPSGQIMELVWDIEKTGNILGKHNPAPVPPPDMPGIAPPRMDHMLVNAEEVGESARFFQDVLGLRLTEQVLDGNGHQLGVWLAGRTNSPHDIAIVNGPNGALHHWAYWLDDWDHIRKAADTLAYNGVQIDQGPTRHGVTRGNTIYFFDPLGIRNEVFTGGYWVDPDQEIITWTEQEFGKGLFYYENIVAQRFLRMHT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Q4E8R0
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
74
dioxygenase
benzene
MTQLTQSPDIQGFLDQIAGADHASAGDERLKAIVRKIVSDLFETIDQFDVTDDEFWHALNFIAGGAPEFGLWAAGLGLEHFLDIRADLKDQAEGITQGTPRTIEGPLYVAGAPLLKAEARLDDGSDDGEVLIMHGQVRDVDGKPIANAIVDVWHANTKGNYSYFDKTQSDYNLRRRIETDAEGRYRFRSVLPSGYAVPGGSNIEKLLASVGRHGNRPAHVHFFISAHGYRHLTTQINIEGDPFVHDDFAYATKDELIPPVIRHSVASDIHAAGLNAPYAEIAFDFVLNPAEEQTDEQESSRARALQDA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A5E7ZNY5
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
75
dioxygenase
benzene
MEVTTPRVHNLHHVEVFTPKPNESLDFFTRVLGLHETHREGQSVYLRGAGEWARYSTILTEGPEPGLGHMAWQVAEPDQVEGWARRMKDVGVEHKLESGGSRFAQGDTLSFTGPFGHRTELFYDFERYVPAEPSKLLSQPVKFPNPGIGAKRLDHLNITARNVDEARDWYTDVLGFKLREAARTPDGDIGVWMSVTSQVHDLAIMRDGLGERGRLHHIAYYLDTPETLLRAADTFVEEGTPIDAGPGKHGLTQAFFIYVFEPGGNRVELFSGGYPIHGPDWEPIIWDGAAIEKAIVWYGGQLPDTFFTVAT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Q4EAS2
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
76
dioxygenase
benzene
MALTGVLRPGYVQVRVLDMEASLVHYRDRIGLDLVEMGADGRAYLKAPDEFDHHSIILREADEPGMDFMGFKVSSDEVLTALGRSLSDSGLSVEEVAAGEQPGLGRRLSFFAPTGHRFELFSSMELSSKGPMIENPDLWHDEPRGMKAQRFDHCLVYGIDIDATARIFVDLLGFQVAEKAVTPDGDTIAIFLSCGMKAHDLALVRFGEDAKLHHVSFRLESWHDIGHAADLMTRYDMSVDIGPTRHGITRGQTIYFFDPSGNRNEVFSGGYDFYPDNPVRQWTADQAGKAIFYYERALNDRFMTVVT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1W5YR16
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
77
dioxygenase
benzene
MGIMRIGHVSIKVMDMAAALKHYENVLGMKKMMADKHGNVYLKCWDEWDKYSLILTPSDQAGINHVAYKVEKDSDLDDLQRKIEAYGVTTTILEEGNLPSTGRMLQFNLPSGHEMRLYAMKEYVGTEVGTSNPDPWPDNIKGAGAHWLDHCLLMCEMNPETGVNKVAENTRFVVEVLDFFLTEQVLVGPNGDMQAATWLARTTTPHDIAFVAGPHMGLHHIAFFLDSWHDILKSADVMAKTKTKIDVPPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQRDRPVTTWDESHMGRGIFYHTGEMVASFTEVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BBG0
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
78
dioxygenase
benzene
MALTGVLRPGYVQLRVLDLEESILHYRDRIGLNLVSVEGGRAFFQAFDEFDRHSIILREADSAGLDRMGFKVAKDSDLDHFAERLLDAGVHVDVIPAGEEPGVGRKIRFNTPTGHMFDLFAEMELSETGPAVRNPDVWIAEPRGMRATRFDHCALNGVDISASAKIFVEALDFSVTEELVDEASGQRLGIFLSCSNKAHDVAFLGYPEDGRIHHTSFCLESWHDVGHAADIISRYDISLDIGPTRHGITRGQTIYFFDPSGNRNETFSGGYFYYPDNPRRMWQAENAGMAIFYYEKALNDRFMTVNT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BBW1
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
79
dioxygenase
benzene
MGIMRIGHINIRVMDMDAALKHYEKVIGMKITHKDAEGNVYLKCWDEWDKYSLILSPADKAGVNHVAYKVEHDADLEALQKRIEAYGITTEFQPADTLPFVGRMLKFNLPSGHDMRLYSQKEFVNTDVGSTNPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINKVEENTKFCMEVLDFYLSEQILVGPDKAKAATWLFRTSTPHDIAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTRIDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQAIFYHARELNPAFTEVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BC93
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
80
dioxygenase
benzene
MQLRVLDMGKALEHYIELLGLIEMDRDDQGRVYLKAWSEVDKFSVVLREADEPGMDFMGFKVVDEVSLQQLEQDLQAHGCSVEQVPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMSAVRFDHCLLYGDELQATYELFTEVLGFYLAEQVVDAEGIRLAQFLSLSTKAHDVAFIQHAEKGKFHHASFLLDTWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRCEVFCGGNYNYPDHKPVTWLAKDVGKAIFYHDRVLNERFMTVMT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BCA0
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
81
dioxygenase
benzene
MAMTGILRPGHVQLRVMELGPALHHYKEMIGLIETARDAEGRVYLKAWDEQDLFSVVLREADRPGMDFYGFKVLDAKTLEHYAKRLTDYGVSIERIPAGELKGTGERVRFETPSGHLIELYAQKDHVGNGLPDVNPDVWPDGLKGMHPSRFDHCLLNGDSIPQTAKLFQEVLDFDLSERIVGPDGSMTGAFLACSNKAHDVAFIHEESKGRFHHISFHLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPLLTWTHEEVPKGIFYYGHKMVESFVSANT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BDK0
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
82
dioxygenase
benzene
MGVMRIGHVNIRVMDMDAALKHYEKVVGMKTTHKDAEGNVYLKCWDEWDKYSLILSPADKAGINHVAYKVERDADLDAFKTRIEAYGIKTEFQPANTLPFVGRMLKFNLPSGHDMRLYAQKEFVNTDVGSINPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINMVEENTKFCMEVLDFYLSEQILVGPENAKAATWLFRTSTPHDLAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTTVDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQGIFYHTRELTPSFTTVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BFL6
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
83
dioxygenase
benzene
MAVTGVLRPGHIVLRVLDLDEAIRHYTHVIGLFETGRDEQGRVFFKAWDENDHHSVVLREADSAGMDYFGWKVDSEKTLDELAAKLEASPLARDTLWLAPGEHLATGRRFQFTIPTGHRFELYATKEALGCMTGYENPDPWPDGLRGMAPSRFDHALLHGRDIDSTLELFRDILGFDLTERVVGPDGEFLIGIFLACSNKAHDVAFIRSEQDDRLHHASFILGGWHEVLQAADIISKRNVSLDIGPTRHGITRGETIYFFDPSGNRNEVFAGGYIWYPDRPTITWHDREIGRAIFYHDRKLNEAFLNVTT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BFS2
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
84
dioxygenase
benzene
MAMTGILRPGHVQLRVMELGPALHHYKEMIGLIETARDAEGRVYLKAWDEQDLFSVVLREADRPGMDFYGFKVLDAKTLEHYAKRLTDYGVSIERIPAGELKGTGERVRFETPSGHLIELYAQKDHVGNGLPDVNPDVWPDGLKGMHPSRFDHCLLNGDSIPQTAKLFQEVLDFDLSERIVGPDGSMTGAFLACSNKAHDVAFIHEESKGRFHHISFHLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPLLTWAHEEVPKGIFYYGHRMVESFVTANT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BGU6
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
85
dioxygenase
benzene
MTGILRPGHVQLRVLELGPALHHYKEMIGLIETARDDEGRVYLKAWDEQDLFSIVLREAESPGMDFYGFKVRDEKTLEHYAKRLTDYGVAVERMPAGDLKGTGERVRFETPSGHLIELYAKKQHFGNGLPDVNPDVWPDGLKGMHPSRFDHCLLNGDSIPQTAKLFQEVLDFDLSERIVGPDGSMVGAFLACSNKAHDVAFIHEESKGRFHHVSFHLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPLLTWTHEEVPKGIFYYGHKMVESFVTANT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BHB6
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
86
dioxygenase
benzene
MEHYIELLGLIEMDRDDQGRVYLKAWSEVDKFSVVLREADEPGMDFMGFKVVDEVSLQQLEQDLQAHGCSVEQVPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMSAVRFDHCLLYGDELQATYELFTEVLGFYLAEQVVDAEGIRLAQFLSLSTKAHDVAFIQHAEKGKFHHASFLLDTWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRCEVFCGGNYNYPDHKPVTWLAKDVGKAIFYHDRVLNERFMTVMT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BHS4
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
87
dioxygenase
benzene
MGIMRIGHVNIRVMDMGAALKHYEKVVGMKTTHKDAEGNVYLKCWDEWDKYSLILSPADKAGVNHVAYKVEHDADLEALQKRIEAYGIKTEFQPAGTLPFVGRMLKFNLPSGHDMRLYSQKEFVNTDVGSTNPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINKVEENTKFCMEVLDFYLSEQILVGPDKAKAATWLFRTSTPHDIAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTRIDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQGIFYHARELNPAFTEVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BIK2
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
88
dioxygenase
benzene
MALTGVIRPGYVQLRVLDLDEAIVHYRDRIGLNLVSVEDGRAFFQAFDEFDRHSIILREADTAGLDRMAFKVAKDSDLDHFAERLLDAGVHVDVIPAGEDPGVGRKIRFNTPTSHVFDLYAEMELSETGPAVRNPDVWIAEPRGMRATRFDHCALNGVDISASAKIFVDVLDFSVTEELVDESTGTRLGIFLSCSNKAHDVAFLGYPEDGRIHHTSFNLESWHDVGHAADIISRYDISLDIGPTRHGITRGQTIYFFDPSGNRNETFSGGYIYYPDNPRRMWQAENAGKAIFYYEKALNERFMTVNT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BJ64
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
89
dioxygenase
benzene
MGIMRIGHINIRVMDMDAALKHYEKVVGMKTTHKDAKGNVYLKCWDEWDKYSLILSPADKAGVNHVAYKVEHDADLEALQKRIEAYGITTEFQPAGTLPFVGRMLKFNLPSGHDMRLYSQKEFVNTDVGSTNPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINKVEENTKFCMEVLDFYLSEQILVGPDKAKAATWLFRTSTPHDIAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTRIDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQAIFYHARELNPAFTEVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BJJ3
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
90
dioxygenase
benzene
MAMTGILRPGHVQLRVMELGPALHHYKEMVGLIETARDAEGRVYLKAWDEHDLFSIVLREADRPGMDFYGFKVLDTKALEHYAKRLTDYGVAIERIPAGELKGTGERVRFETPSGHLIELYAEKQRVGNGLPDVNPDVWPDGLKGMHPTRFDHCLLNGDSIPETVRLFQEVLDFDLTERIVGPDGSMVGAFLSCSDKAHDVAFIHEDSKGRLHHVSFYLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPVITWTHEETPKGIFYYGHKMVESFVTANT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BJM1
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
91
dioxygenase
benzene
MAMTGILRPGHVQLRVMELGPALHHYKEMIGLIETARDAEGRVYLKAWDEQDLFSVVLREADRPGMDFYGFKVLDAKTLEHYAKRLTDYGVSIERIPAGELKGTGERVRFETPSGHLIELYAQKDHVGNGLPDVNPDVWPDGLKGMHPSRFDHCLLNGDSIPQTAKLFQEVLDFDLSERIVGPDGSMTGAFLACSNKAHDVAFIHEESKGRFHHISFHLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPLLTWTHEEVPKSIFYYGHKMVESFVSANT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BJS0
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
92
dioxygenase
benzene
MGVMRIGHVALRVMDMEAALKHYENVVGMKVTHKDDQGNVYLKCWDEWDKYSVILSLADHAGMNHVAYKVESDQDLDVFRTAIEAKGVKTEFLKENSLPFVGRMLKFNLPSGHDMRLYAQKECVDTDVGSTNPDPWPDDLRGAGSHWLDHVLLMCELNPEKGINKVEENTRFFKEALGFFQTEQILVGPGGSIQLSSFLSCSSKPHDIAFVGGDRPGLHHVSFFLDSWHDILKAGDVMAKNRTRIDVPPTRHGLTRGETIYFFDPSGNRNETFAGLGYQAQPDKPVITWTEDQAARGIFYHTGVLEESFTNVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BLQ4
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
93
dioxygenase
benzene
MGVMRIGHVNIRVMDMDAALKHYEKVVGMKTTHKDAEGNVYLKCWDEWDRYSLILSPADKAGINHVAYKVERDADLDAFKTRIEAYGIKTEFQPANTLPFVGRMLKFNLPSGHDMRLYAKKEFVNTDVGSTNPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINMVEENTKFCMEVLDFYLSEQILVGPENAKAATWLFRTSTPHDLAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTTVDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQGIFYHTRELTPSFTTVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BNI0
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
94
dioxygenase
benzene
MGIMRIGHVSIKVMDMAAALRHYENVLGMKKMMADKHGNVYLKCWDEWDKYSLILTPSDQAGINHVAYKVEKDSDLDDLQRKIEAYGVTTTILEEGNLPSTGRMLQFNLPSGHEMRLYAMKEYVGTEVGTSNPDPWPDNIKGAGAHWLDHCLLMCEMNPETGVNKVAENTRFVVEVLDFFLTEQVLVGPNGDMQAATWLARTTTPHDIAFVAGPHMGLHHIAFFLDSWHDILKSADVMAKTKTKIDVPPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQRDRPVTTWDESHMGRGIFYHTGEMVASFTEVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BNI5
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
95
dioxygenase
benzene
MGVMRIGHVALRVMDMEAALKHYENVVGMKVTHKDDKGNVYLKCWDEWDKYSVILSLADHAGMNHVAYKVESDQDLDVFRTAIEAKGVKTEFLKENSLPFVGRMLKFNLPSGHDMRLYAQKECVDTDVGSTNPDPWPDDLRGAGSHWLDHVLLMCELNPEKGINKVQENTQFFKEVLGFFQTEQIMVGPGGSIQVASFLSCSSKPHDIAFVGGDRSGLHHVSFFLDSWHDILKAGDIMAKNRTRIDVPPTRHGLTRGETIYFFDPSGNRNETFAGLGYQAQPDKPVITWTEDQAARGIFYHTGVLEESFTNVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BPM5
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
96
dioxygenase
benzene
MALTGVLRPGYVQLRVLDLDEAIQHYRDRIGLNLVSVEGGRAFFQAFDEFDRHSIILREADSAGLDRMAFKVAKDADLDHFAERLLDMGVHVDIIPAGEDPGVGRKIRFNTPTAHVFDLYAEMELSETGPAVRNPDVWIAEPRGMRATRFDHCALNGVDISASAKIFVEALDFSVTEELLDEASGTRLGIFLSCSNKAHDVAFLGYPEDGRIHHTSFFLESWHDVGHAADIISRYDISLDIGPTRHGITRGQTIYFFDPSGNRNETFSGGYTYYPDNPRRMWQAENAGKAIFYYEKALNDRFMTVNT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A1Y0BQV0
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
97
dioxygenase
benzene
MSVKVFDTKEVQDLLKAASNAGGDGGNARTQQVVLRLLGDLFKAIDDLDITPDEVWAGVNYLNKLGQDGEAALLAAGLGLEKFLDIRMDAEDKALGLDGGTPRTIEGPLYVAGAPVRDGVAKIDLDADDGAGPLVIHGTVTGVDGKPVAGALVECWHANSHGFYSHFDPTGKQSDFNLRGAVKTGADGKYEFRTLMPVGYGCPPQGATQQLLDGLGRHGNRPAHVHFFVTSDGHRKLTTQFNIDGDPLIWDDFAYATREELIPPVTDKTGGAALGMKADAYQDIAFDFVLTPRVQGKDNQIVERLRASAAA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A6P2GD56
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
98
dioxygenase
benzene
MNKQAIDALLKTFDDAAEKPGNPRVRAIVNRIVKDICYTIEDFDVQPSEFWTALNYLNEAGREFGLIAAGLGLERFLDVRMDEAEEKAGIQGGTPRTIEGPLYVAGAPESVGHARLDDGTDPGQTLIMRGQVLGNDGAPIANALVEVWHANHLGNYSYFDQSQPAFNLRRSIRTDAEGRYSFRSVLPVGYSVPPGSKTEQLLDQLGRHGHRPAHIHFFVSADGYRKLTTQINIEGDPHIWDDFAFATREGLIPQIKQAEGAEGKPYGVDGQFALIDFDFSLLKDKQDVPASDVERARAQA
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A2A4CBU8
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
99
dioxygenase
benzene
MGVMRIGHVSLKVMDMEAALRHYVRVLGMQETMRDAAGNVYLKCWDEWDKYSLILSPSDQAGLKHAAYKVEHDADLDALQQRIEAYGIATEMLPEGALPAVGRQLRFLLPSGHELRLFAQKELVGTAVGSLNPDPWPDDIPGSAVHWLDHCLLMCELNPETGVNRVEENTRFMAECLDFHLAEQVMVGPGNTIQAATWMFRSTTPHDIAFVGGPRNGLHHIAFFLDDWADVLKSADVMAKNKVKIDVAPTRHGITRGTTIYFFDPSGNRNETFAGLGYLAQPDRPVTTWTEEELGRGIFFHSGELNEAFTTVYT
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
C1=CC=CC=C1
A0A6P2G2Q7
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]