reactant stringlengths 3 764 | product stringlengths 3 767 | enzyme stringlengths 57 6.36k | enzyme_embed stringlengths 4.86k 7.11k |
|---|---|---|---|
[O-] P ( O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c n c 2 c ( n c n c 2 1 ) N ) O ) ( = O ) O P ( = O ) ( [O-] ) [O-] . [C@H] ( O ) ( C ( = O ) [O-] ) C ( C O ) = O | P ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) O ) ( = O ) ( O P ( [O-] ) ( [O-] ) = O ) [O-] . O = P ( O C C ( = O ) [C@H] ( C ( [O-] ) = O ) O ) ( [O-] ) [O-] . [H+] | MTISNPRPLLGCIADDFTGATDLANMLVRGGMRTVQSIGIPSAEVAAGLDADAVVIALKSRTTAASEAVAESLAALQWLRDQGCEQIFFKYCSTFDSTAAGNIGQVSEALLEALGSDFTLACPAFPENGRTIFRGHLFVQDQLLSESGMQHHPLTPMTDANLVRVLQSQTRLPVGLLRYDSIAQGVEAVRSRIAELRGQGVALAIADALSDADLYTLGAACADLPLLTGGSGLALGLPENFRRAGKLRDLDAASLPKVAGGEVVLAGSASLATNAQVDAWLEAERPAWRIDPLALAAGEAVVEQALAFAREQQGTVLIYA... | tensor([[ 1.1348e-01, -2.0167e-02, -6.4503e-02, 1.0246e-01, 3.3045e-02,
4.8653e-02, 1.2007e-01, -5.2968e-02, -3.0916e-02, 8.9131e-02,
-1.3728e-01, -1.8748e-02, -9.9132e-02, 4.1443e-02, -1.0501e-01,
-5.2375e-02, -1.4060e-01, 9.7554e-02, -1.8272e-01, -1.4062e-01,
2.3382e-02, 1... |
[H+] . O [C@H] ( C ( C O P ( [O-] ) ( [O-] ) = O ) = O ) C ( [O-] ) = O . O 1 [C@@H] ( [C@@H] ( O ) [C@@H] ( O ) [C@@H] 1 n 1 c n c 2 c 1 n c n c 2 N ) C O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-] | C ( = O ) ( [O-] ) [C@H] ( O ) C ( = O ) C O . O [C@H] 1 [C@H] ( [C@H] ( n 2 c 3 n c n c ( c 3 n c 2 ) N ) O [C@@H] 1 C O P ( = O ) ( O P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O ) [O-] ) O | MTISNPRPLLGCIADDFTGATDLANMLVRGGMRTVQSIGIPSAEVAAGLDADAVVIALKSRTTAASEAVAESLAALQWLRDQGCEQIFFKYCSTFDSTAAGNIGQVSEALLEALGSDFTLACPAFPENGRTIFRGHLFVQDQLLSESGMQHHPLTPMTDANLVRVLQSQTRLPVGLLRYDSIAQGVEAVRSRIAELRGQGVALAIADALSDADLYTLGAACADLPLLTGGSGLALGLPENFRRAGKLRDLDAASLPKVAGGEVVLAGSASLATNAQVDAWLEAERPAWRIDPLALAAGEAVVEQALAFAREQQGTVLIYA... | tensor([[ 1.1348e-01, -2.0167e-02, -6.4503e-02, 1.0246e-01, 3.3045e-02,
4.8653e-02, 1.2007e-01, -5.2968e-02, -3.0916e-02, 8.9131e-02,
-1.3728e-01, -1.8748e-02, -9.9132e-02, 4.1443e-02, -1.0501e-01,
-5.2375e-02, -1.4060e-01, 9.7554e-02, -1.8272e-01, -1.4062e-01,
2.3382e-02, 1... |
[C@@H] ( C ( = O ) [O-] ) ( O ) C ( = O ) C O . [C@@H] 1 ( O ) [C@@H] ( [C@H] ( O [C@H] 1 n 1 c n c 2 c ( n c n c 2 1 ) N ) C O P ( [O-] ) ( = O ) O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-] ) O | [H+] . C ( O P ( [O-] ) ( [O-] ) = O ) C ( = O ) [C@H] ( C ( [O-] ) = O ) O . O [C@H] 1 [C@@H] ( O ) [C@@H] ( O [C@@H] 1 C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] ) n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 | MIKLGVIADDFTGATDIASFLVNNGLPTVQLNGVPPSDFKVDTQAVVISLKSRSCSAEQAVADSLNALAWLQQQGCQQFYFKYCSTFDSTAKGNIGPVTDALLEQLGETQTIISPALPVNGRTVYQGHLFVMDQLLSESGMRHHPVTPMTDSNLMRVMEQQAAGQCGLVPYAVMDQGADAVKQRLAQLKEQGMRYVVLDTLNEQHLLTQGEALRDMKLVTGGSGLAIGLARQWADSTKQTSSATEAGKPQSGAGVVLSGSCSVMTNKQVAHYLKQAAGRAIDVARCLESDDAQQSYAQELADWVKAHRDDALAPLLYATS... | tensor([[ 9.1886e-02, -1.7445e-02, 3.0292e-03, 2.0296e-01, 3.5249e-02,
6.7308e-02, 1.3300e-01, 3.4980e-02, -9.3993e-02, 1.2432e-01,
-6.9139e-02, -1.0041e-01, -1.4078e-01, 1.3856e-01, -4.5279e-02,
-1.3426e-01, -2.7857e-02, 1.3607e-01, -1.4025e-01, 2.2250e-02,
2.7532e-02, 1... |
[H+] . [O-] P ( = O ) ( O C C ( [C@@H] ( O ) C ( [O-] ) = O ) = O ) [O-] . [C@@H] 1 ( n 2 c n c 3 c ( n c n c 3 2 ) N ) O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( O P ( [O-] ) ( = O ) [O-] ) ( = O ) [O-] | O [C@@H] ( C ( [O-] ) = O ) C ( = O ) C O . O [C@@H] 1 [C@@H] ( [C@H] ( O [C@H] 1 n 1 c n c 2 c 1 n c n c 2 N ) C O P ( O P ( O P ( [O-] ) ( = O ) [O-] ) ( [O-] ) = O ) ( [O-] ) = O ) O | MIKLGVIADDFTGATDIASFLVNNGLPTVQLNGVPPSDFKVDTQAVVISLKSRSCSAEQAVADSLNALAWLQQQGCQQFYFKYCSTFDSTAKGNIGPVTDALLEQLGETQTIISPALPVNGRTVYQGHLFVMDQLLSESGMRHHPVTPMTDSNLMRVMEQQAAGQCGLVPYAVMDQGADAVKQRLAQLKEQGMRYVVLDTLNEQHLLTQGEALRDMKLVTGGSGLAIGLARQWADSTKQTSSATEAGKPQSGAGVVLSGSCSVMTNKQVAHYLKQAAGRAIDVARCLESDDAQQSYAQELADWVKAHRDDALAPLLYATS... | tensor([[ 9.1886e-02, -1.7445e-02, 3.0292e-03, 2.0296e-01, 3.5249e-02,
6.7308e-02, 1.3300e-01, 3.4980e-02, -9.3993e-02, 1.2432e-01,
-6.9139e-02, -1.0041e-01, -1.4078e-01, 1.3856e-01, -4.5279e-02,
-1.3426e-01, -2.7857e-02, 1.3607e-01, -1.4025e-01, 2.2250e-02,
2.7532e-02, 1... |
C ( C ( = O ) [C@@H] ( O ) C ( [O-] ) = O ) O . P ( [O-] ) ( O P ( = O ) ( [O-] ) [O-] ) ( O P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) ( = O ) [O-] ) = O | [H+] . O = C ( [C@H] ( O ) C ( C O P ( = O ) ( [O-] ) [O-] ) = O ) [O-] . [C@@H] 1 ( n 2 c n c 3 c ( N ) n c n c 3 2 ) O [C@H] ( C O P ( [O-] ) ( O P ( [O-] ) ( = O ) [O-] ) = O ) [C@H] ( [C@H] 1 O ) O | MSLALGCVADDYTGASDLANTLTKAGLRTIQTIGVPEAGRALPEADAVVVALKSRSIPADQAVARSREAERWLRARGAAHVMFKVCSTFDSTDAGNIGPVMDALRADAGETVALVTPAFPETGRSVYQGNLFVGSVPLNESPLKDHPLNPMRDANLVRVLGRQSRSPVGLIDTATVARGAEAVAARLDALAQEGKGAAIADAIFDSDLEVLGRAILDRKFSVGASGLGLGLARALAADGRGTRDAAGAAVGEPVGGASACLAGSCSQATLQQVAAAEAIMPVLRLDPARLLAGDDVVAEALAFAEERLASGPVLIATSAP... | tensor([[ 1.0766e-01, -7.2963e-02, -1.3761e-01, 3.4150e-02, -1.5359e-02,
6.8416e-02, 5.5768e-02, -1.7272e-01, -4.5648e-03, 7.7573e-02,
-1.2546e-01, -9.3973e-03, -7.4534e-02, -5.6516e-03, -1.0162e-01,
9.0106e-04, -1.9448e-01, 1.1486e-01, -1.8819e-01, -1.7142e-01,
4.6942e-02, 9... |
O 1 [C@@H] ( [C@@H] ( O ) [C@@H] ( O ) [C@@H] 1 n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 ) C O P ( = O ) ( O P ( [O-] ) ( = O ) [O-] ) [O-] . [O-] C ( = O ) [C@H] ( O ) C ( C O P ( [O-] ) ( = O ) [O-] ) = O . [H+] | n 1 c n ( c 2 n c n c ( c 1 2 ) N ) [C@@H] 1 O [C@H] ( C O P ( O P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O ) ( = O ) [O-] ) [C@@H] ( O ) [C@H] 1 O . O [C@H] ( C ( = O ) C O ) C ( [O-] ) = O | MSLALGCVADDYTGASDLANTLTKAGLRTIQTIGVPEAGRALPEADAVVVALKSRSIPADQAVARSREAERWLRARGAAHVMFKVCSTFDSTDAGNIGPVMDALRADAGETVALVTPAFPETGRSVYQGNLFVGSVPLNESPLKDHPLNPMRDANLVRVLGRQSRSPVGLIDTATVARGAEAVAARLDALAQEGKGAAIADAIFDSDLEVLGRAILDRKFSVGASGLGLGLARALAADGRGTRDAAGAAVGEPVGGASACLAGSCSQATLQQVAAAEAIMPVLRLDPARLLAGDDVVAEALAFAEERLASGPVLIATSAP... | tensor([[ 1.0766e-01, -7.2963e-02, -1.3761e-01, 3.4150e-02, -1.5359e-02,
6.8416e-02, 5.5768e-02, -1.7272e-01, -4.5648e-03, 7.7573e-02,
-1.2546e-01, -9.3973e-03, -7.4534e-02, -5.6516e-03, -1.0162e-01,
9.0106e-04, -1.9448e-01, 1.1486e-01, -1.8819e-01, -1.7142e-01,
4.6942e-02, 9... |
O ( P ( = O ) ( [O-] ) [O-] ) P ( [O-] ) ( = O ) O P ( = O ) ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) [O-] . O [C@@H] ( C ( = O ) [O-] ) C ( C O ) = O | O = P ( [O-] ) ( [O-] ) O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c 1 n c n c 2 N ) O . [O-] P ( = O ) ( O C C ( = O ) [C@@H] ( O ) C ( = O ) [O-] ) [O-] . [H+] | MLKIGVIADDFTGATDIASFLVENGMPTVQINDVPTGTQPEGCDAVVISLKTRSCPAQEAIKQSLAALVWLKKQGCQQVYFKYCSTFDSTAEGNIGPVTDALMVALDTSFTVISPALPVNGRTVYQGYLFVMNHLLAESGMRHHPINPMTDSYLPRLMEAQAQGRCGVIPAQTLDEGVAATRAALSRLQQEGYRYAVLDALNERHLEIQGEVLRDAPLVTGGSGLAMGLARQWAKHGVSQARSAGYPLSGRAVVLSGSCSQMTNQQVAFYRQHAPTRDVDVARCLSSETREAYAEALAQWVLSQDSELAPMISATASTQA... | tensor([[ 6.9791e-02, -5.3640e-03, -2.0262e-02, 1.6043e-01, 1.2971e-02,
2.2728e-02, 1.6860e-01, 3.5896e-03, -4.9887e-02, 1.0670e-01,
-8.0647e-02, -6.5342e-02, -8.5487e-02, 5.7224e-02, -6.2238e-02,
-1.0101e-01, -8.9316e-02, 1.4242e-01, -1.8271e-01, -2.7701e-02,
2.4367e-02, 1... |
[H+] . n 1 ( c 2 n c n c ( N ) c 2 n c 1 ) [C@H] 1 [C@@H] ( [C@@H] ( [C@H] ( O 1 ) C O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) [O-] ) O ) O . [O-] P ( = O ) ( [O-] ) O C C ( = O ) [C@H] ( C ( = O ) [O-] ) O | O = C ( [O-] ) [C@@H] ( C ( C O ) = O ) O . n 1 ( [C@H] 2 [C@H] ( O ) [C@@H] ( [C@H] ( O 2 ) C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) [O-] ) O ) c n c 2 c 1 n c n c 2 N | MLKIGVIADDFTGATDIASFLVENGMPTVQINDVPTGTQPEGCDAVVISLKTRSCPAQEAIKQSLAALVWLKKQGCQQVYFKYCSTFDSTAEGNIGPVTDALMVALDTSFTVISPALPVNGRTVYQGYLFVMNHLLAESGMRHHPINPMTDSYLPRLMEAQAQGRCGVIPAQTLDEGVAATRAALSRLQQEGYRYAVLDALNERHLEIQGEVLRDAPLVTGGSGLAMGLARQWAKHGVSQARSAGYPLSGRAVVLSGSCSQMTNQQVAFYRQHAPTRDVDVARCLSSETREAYAEALAQWVLSQDSELAPMISATASTQA... | tensor([[ 6.9791e-02, -5.3640e-03, -2.0262e-02, 1.6043e-01, 1.2971e-02,
2.2728e-02, 1.6860e-01, 3.5896e-03, -4.9887e-02, 1.0670e-01,
-8.0647e-02, -6.5342e-02, -8.5487e-02, 5.7224e-02, -6.2238e-02,
-1.0101e-01, -8.9316e-02, 1.4242e-01, -1.8271e-01, -2.7701e-02,
2.4367e-02, 1... |
[C@@H] ( O ) ( C ( = O ) C O ) C ( = O ) [O-] . O ( P ( = O ) ( [O-] ) O P ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) O ) ( = O ) [O-] ) P ( [O-] ) ( [O-] ) = O | [H+] . O = P ( O C [C@H] 1 O [C@@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) [C@H] ( O ) [C@@H] 1 O ) ( O P ( [O-] ) ( = O ) [O-] ) [O-] . O = C ( [C@@H] ( C ( C O P ( = O ) ( [O-] ) [O-] ) = O ) O ) [O-] | MPASNFPTGVHDMRLGVIADDFTGATDIAGFLVGNGLRTIQLNGVPADDLAVDADAVVISLKARSCPTGQAIAESLAALKWLQKNNCQQFFFKYCSTFDSTPKGNIGPVTDALLEALGEEFTVICPALPVNGRTIYNGYLFVNGVLLSETGMRNHPVTPMTDSNIMRVMESQSRGRAGNISSTIVDQGSDAVRDALRKLQSEGIRYAVLDALNDQHIETLGRAVSQMKLVTGGSGLADGMARAWTQLRGKNVAAAEAAGAPVKGRTVILSGSCSQMTNAQVAAYKAKAPALAMDVEKAINDAAYIDVLAEWVLAQSGDAL... | tensor([[ 8.4201e-02, -5.8980e-02, -3.0639e-02, 7.6695e-02, 2.7211e-02,
1.5123e-02, 6.9924e-02, -4.1565e-02, -8.8786e-02, 9.4726e-02,
-1.1629e-01, -3.1376e-02, -4.4637e-02, 2.0373e-02, -1.1122e-02,
-4.5137e-02, -6.4116e-02, 1.4153e-01, -1.5450e-01, -2.4500e-02,
2.2388e-02, 1... |
N c 1 c 2 c ( n c n 1 ) n ( [C@H] 1 [C@H] ( O ) [C@@H] ( [C@H] ( O 1 ) C O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-] ) O ) c n 2 . [O-] P ( O C C ( = O ) [C@H] ( C ( [O-] ) = O ) O ) ( [O-] ) = O . [H+] | O [C@H] ( C ( = O ) C O ) C ( = O ) [O-] . P ( = O ) ( [O-] ) ( [O-] ) O P ( [O-] ) ( = O ) O P ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c n c 2 c 1 n c n c 2 N ) ( = O ) [O-] | MPASNFPTGVHDMRLGVIADDFTGATDIAGFLVGNGLRTIQLNGVPADDLAVDADAVVISLKARSCPTGQAIAESLAALKWLQKNNCQQFFFKYCSTFDSTPKGNIGPVTDALLEALGEEFTVICPALPVNGRTIYNGYLFVNGVLLSETGMRNHPVTPMTDSNIMRVMESQSRGRAGNISSTIVDQGSDAVRDALRKLQSEGIRYAVLDALNDQHIETLGRAVSQMKLVTGGSGLADGMARAWTQLRGKNVAAAEAAGAPVKGRTVILSGSCSQMTNAQVAAYKAKAPALAMDVEKAINDAAYIDVLAEWVLAQSGDAL... | tensor([[ 8.4201e-02, -5.8980e-02, -3.0639e-02, 7.6695e-02, 2.7211e-02,
1.5123e-02, 6.9924e-02, -4.1565e-02, -8.8786e-02, 9.4726e-02,
-1.1629e-01, -3.1376e-02, -4.4637e-02, 2.0373e-02, -1.1122e-02,
-4.5137e-02, -6.4116e-02, 1.4153e-01, -1.5450e-01, -2.4500e-02,
2.2388e-02, 1... |
C ( [O-] ) ( = O ) [C@H] ( O ) C ( = O ) C O . O [C@@H] 1 [C@@H] ( C O P ( = O ) ( O P ( O P ( [O-] ) ( [O-] ) = O ) ( [O-] ) = O ) [O-] ) O [C@H] ( [C@@H] 1 O ) n 1 c n c 2 c ( N ) n c n c 1 2 | [C@@H] 1 ( [C@H] ( O ) [C@H] ( O ) [C@@H] ( C O P ( O P ( [O-] ) ( [O-] ) = O ) ( [O-] ) = O ) O 1 ) n 1 c 2 n c n c ( c 2 n c 1 ) N . O = P ( O C C ( [C@@H] ( O ) C ( [O-] ) = O ) = O ) ( [O-] ) [O-] . [H+] | MIKLGVIADDFTGATDIASFLVNNGLPTVQLNGVPPSDFKVDTQAVVISLKSRSCSAEQAVADSLNALAWLQQQGCQQFYFKYCSTFDSTAKGNIGPVTDALLEQLGETQTIISPALPVNGRTVYQGHLFVMDQLLSESGMRHHPVTPMTDSNLMRVMEQQAAGQCGLVPYAVMDQGADAVKQRLAQLKEQGMRYVVLDTLNEQHLLTQGEALRDMKLVTGGSGLAIGLARQWADSTKQTSSATEAGKPQSGAGVVLSGSCSVMTNKQVAHYLKQAAGRAIDVARCLESDDAQQSYAQELADWVKAHRDDALAPLLYATS... | tensor([[ 9.1886e-02, -1.7445e-02, 3.0292e-03, 2.0296e-01, 3.5249e-02,
6.7308e-02, 1.3300e-01, 3.4980e-02, -9.3993e-02, 1.2432e-01,
-6.9139e-02, -1.0041e-01, -1.4078e-01, 1.3856e-01, -4.5279e-02,
-1.3426e-01, -2.7857e-02, 1.3607e-01, -1.4025e-01, 2.2250e-02,
2.7532e-02, 1... |
[O-] P ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c ( N ) n c n c 2 1 ) O ) ( O P ( = O ) ( [O-] ) [O-] ) = O . O = C ( [O-] ) [C@@H] ( C ( C O P ( = O ) ( [O-] ) [O-] ) = O ) O . [H+] | C ( O ) C ( = O ) [C@@H] ( O ) C ( [O-] ) = O . O = P ( O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) [O-] ) ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) [O-] | MIKLGVIADDFTGATDIASFLVNNGLPTVQLNGVPPSDFKVDTQAVVISLKSRSCSAEQAVADSLNALAWLQQQGCQQFYFKYCSTFDSTAKGNIGPVTDALLEQLGETQTIISPALPVNGRTVYQGHLFVMDQLLSESGMRHHPVTPMTDSNLMRVMEQQAAGQCGLVPYAVMDQGADAVKQRLAQLKEQGMRYVVLDTLNEQHLLTQGEALRDMKLVTGGSGLAIGLARQWADSTKQTSSATEAGKPQSGAGVVLSGSCSVMTNKQVAHYLKQAAGRAIDVARCLESDDAQQSYAQELADWVKAHRDDALAPLLYATS... | tensor([[ 9.1886e-02, -1.7445e-02, 3.0292e-03, 2.0296e-01, 3.5249e-02,
6.7308e-02, 1.3300e-01, 3.4980e-02, -9.3993e-02, 1.2432e-01,
-6.9139e-02, -1.0041e-01, -1.4078e-01, 1.3856e-01, -4.5279e-02,
-1.3426e-01, -2.7857e-02, 1.3607e-01, -1.4025e-01, 2.2250e-02,
2.7532e-02, 1... |
C ( O ) C ( [C@H] ( C ( [O-] ) = O ) O ) = O . c 1 ( N ) c 2 c ( n ( [C@H] 3 [C@@H] ( [C@@H] ( [C@@H] ( C O P ( = O ) ( O P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) = O ) [O-] ) O 3 ) O ) O ) c n 2 ) n c n 1 | c 1 n c 2 c ( c ( n 1 ) N ) n c n 2 [C@H] 1 [C@H] ( O ) [C@@H] ( [C@@H] ( C O P ( O P ( [O-] ) ( [O-] ) = O ) ( = O ) [O-] ) O 1 ) O . O = C ( [O-] ) [C@@H] ( C ( C O P ( [O-] ) ( = O ) [O-] ) = O ) O . [H+] | MSLALGCVADDYTGASDLANTLTKAGLRTIQTIGVPEAGRALPEADAVVVALKSRSIPADQAVARSREAERWLRARGAAHVMFKVCSTFDSTDAGNIGPVMDALRADAGETVALVTPAFPETGRSVYQGNLFVGSVPLNESPLKDHPLNPMRDANLVRVLGRQSRSPVGLIDTATVARGAEAVAARLDALAQEGKGAAIADAIFDSDLEVLGRAILDRKFSVGASGLGLGLARALAADGRGTRDAAGAAVGEPVGGASACLAGSCSQATLQQVAAAEAIMPVLRLDPARLLAGDDVVAEALAFAEERLASGPVLIATSAP... | tensor([[ 1.0766e-01, -7.2963e-02, -1.3761e-01, 3.4150e-02, -1.5359e-02,
6.8416e-02, 5.5768e-02, -1.7272e-01, -4.5648e-03, 7.7573e-02,
-1.2546e-01, -9.3973e-03, -7.4534e-02, -5.6516e-03, -1.0162e-01,
9.0106e-04, -1.9448e-01, 1.1486e-01, -1.8819e-01, -1.7142e-01,
4.6942e-02, 9... |
n 1 c n c 2 c ( c 1 N ) n c n 2 [C@@H] 1 O [C@H] ( C O P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) = O ) [C@@H] ( O ) [C@H] 1 O . [H+] . P ( = O ) ( [O-] ) ( O C C ( [C@H] ( C ( = O ) [O-] ) O ) = O ) [O-] | O C C ( [C@@H] ( O ) C ( = O ) [O-] ) = O . P ( O P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O ) ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c ( n c n c 2 3 ) N ) O 1 ) O ) O ) ( = O ) [O-] | MSLALGCVADDYTGASDLANTLTKAGLRTIQTIGVPEAGRALPEADAVVVALKSRSIPADQAVARSREAERWLRARGAAHVMFKVCSTFDSTDAGNIGPVMDALRADAGETVALVTPAFPETGRSVYQGNLFVGSVPLNESPLKDHPLNPMRDANLVRVLGRQSRSPVGLIDTATVARGAEAVAARLDALAQEGKGAAIADAIFDSDLEVLGRAILDRKFSVGASGLGLGLARALAADGRGTRDAAGAAVGEPVGGASACLAGSCSQATLQQVAAAEAIMPVLRLDPARLLAGDDVVAEALAFAEERLASGPVLIATSAP... | tensor([[ 1.0766e-01, -7.2963e-02, -1.3761e-01, 3.4150e-02, -1.5359e-02,
6.8416e-02, 5.5768e-02, -1.7272e-01, -4.5648e-03, 7.7573e-02,
-1.2546e-01, -9.3973e-03, -7.4534e-02, -5.6516e-03, -1.0162e-01,
9.0106e-04, -1.9448e-01, 1.1486e-01, -1.8819e-01, -1.7142e-01,
4.6942e-02, 9... |
O [C@@H] ( C ( [O-] ) = O ) C ( = O ) C O . [C@H] 1 ( O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-] ) ( [O-] ) = O ) n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 | O ( P ( = O ) ( [O-] ) [O-] ) P ( O C [C@H] 1 O [C@@H] ( n 2 c 3 c ( c ( n c n 3 ) N ) n c 2 ) [C@@H] ( [C@@H] 1 O ) O ) ( = O ) [O-] . [H+] . [O-] C ( [C@@H] ( C ( C O P ( [O-] ) ( = O ) [O-] ) = O ) O ) = O | MTAGTLAHRPLLGCIADDFTGATDLANTLVRNGMRTVQTIGLPDVGAVQDIGEADALVVALKSRTIPAVEAVAQSLAALQWLRAQGCRQFVFKYCSTFDSTDAGNIGPVAEALLAALDSDFTIACPAFPENGRTIFRGHLFVGDALLNESGMEHHPLTPMTDASLVRVLQRQSKNKVGLLRYDAVARGAHATAERIAALRSDGVRMAIADAVSDADLFTLGEACANLPLITGGSGIALGLPENFRRAGLLPQRGDAASVPAIDGPGVVLAGSASRATNGQVARWLEQGRPALRIDPLALARGEAVADAALAFAAGHGEPV... | tensor([[ 1.5153e-01, -3.5409e-02, -1.1622e-01, 1.0008e-01, -7.0722e-03,
4.1407e-02, 6.2701e-02, -9.3567e-02, -3.5376e-02, 1.2006e-01,
-1.2064e-01, -3.5905e-02, -9.1158e-02, 6.3165e-02, -1.2113e-01,
-1.4830e-02, -1.5551e-01, 1.2041e-01, -1.8195e-01, -1.3282e-01,
4.4765e-02, 1... |
O ( P ( [O-] ) ( [O-] ) = O ) C C ( = O ) [C@@H] ( O ) C ( [O-] ) = O . c 1 2 n c n ( [C@@H] 3 O [C@H] ( C O P ( = O ) ( O P ( [O-] ) ( [O-] ) = O ) [O-] ) [C@@H] ( O ) [C@H] 3 O ) c 2 n c n c 1 N . [H+] | [O-] P ( O P ( = O ) ( O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c n c 3 c ( N ) n c n c 3 2 ) O 1 ) O ) [O-] ) ( = O ) [O-] . C ( O ) C ( = O ) [C@@H] ( O ) C ( [O-] ) = O | MTAGTLAHRPLLGCIADDFTGATDLANTLVRNGMRTVQTIGLPDVGAVQDIGEADALVVALKSRTIPAVEAVAQSLAALQWLRAQGCRQFVFKYCSTFDSTDAGNIGPVAEALLAALDSDFTIACPAFPENGRTIFRGHLFVGDALLNESGMEHHPLTPMTDASLVRVLQRQSKNKVGLLRYDAVARGAHATAERIAALRSDGVRMAIADAVSDADLFTLGEACANLPLITGGSGIALGLPENFRRAGLLPQRGDAASVPAIDGPGVVLAGSASRATNGQVARWLEQGRPALRIDPLALARGEAVADAALAFAAGHGEPV... | tensor([[ 1.5153e-01, -3.5409e-02, -1.1622e-01, 1.0008e-01, -7.0722e-03,
4.1407e-02, 6.2701e-02, -9.3567e-02, -3.5376e-02, 1.2006e-01,
-1.2064e-01, -3.5905e-02, -9.1158e-02, 6.3165e-02, -1.2113e-01,
-1.4830e-02, -1.5551e-01, 1.2041e-01, -1.8195e-01, -1.3282e-01,
4.4765e-02, 1... |
O [C@@H] 1 [C@@H] ( C O P ( = O ) ( [O-] ) O P ( [O-] ) ( O P ( = O ) ( [O-] ) [O-] ) = O ) O [C@@H] ( n 2 c 3 c ( n c 2 ) c ( N ) n c n 3 ) [C@@H] 1 O . [C@H] ( C ( C O ) = O ) ( O ) C ( = O ) [O-] | [O-] P ( O C C ( [C@@H] ( O ) C ( = O ) [O-] ) = O ) ( = O ) [O-] . O [C@@H] 1 [C@@H] ( [C@H] ( O [C@H] 1 n 1 c 2 n c n c ( c 2 n c 1 ) N ) C O P ( [O-] ) ( = O ) O P ( [O-] ) ( = O ) [O-] ) O . [H+] | MPASNFPTGVHDMRLGVIADDFTGATDIAGFLVGNGLRTIQLNGVPADDLAVDADAVVISLKARSCPTGQAIAESLAALKWLQKNNCQQFFFKYCSTFDSTPKGNIGPVTDALLEALGEEFTVICPALPVNGRTIYNGYLFVNGVLLSETGMRNHPVTPMTDSNIMRVMESQSRGRAGNISSTIVDQGSDAVRDALRKLQSEGIRYAVLDALNDQHIETLGRAVSQMKLVTGGSGLADGMARAWTQLRGKNVAAAEAAGAPVKGRTVILSGSCSQMTNAQVAAYKAKAPALAMDVEKAINDAAYIDVLAEWVLAQSGDAL... | tensor([[ 8.4201e-02, -5.8980e-02, -3.0639e-02, 7.6695e-02, 2.7211e-02,
1.5123e-02, 6.9924e-02, -4.1565e-02, -8.8786e-02, 9.4726e-02,
-1.1629e-01, -3.1376e-02, -4.4637e-02, 2.0373e-02, -1.1122e-02,
-4.5137e-02, -6.4116e-02, 1.4153e-01, -1.5450e-01, -2.4500e-02,
2.2388e-02, 1... |
C ( = O ) ( [O-] ) [C@H] ( O ) C ( C O P ( [O-] ) ( [O-] ) = O ) = O . [H+] . [C@H] 1 ( O ) [C@@H] ( O ) [C@@H] ( O [C@@H] 1 C O P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O ) n 1 c n c 2 c 1 n c n c 2 N | P ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c n c 2 c ( n c n c 2 1 ) N ) ( [O-] ) ( O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] ) = O . O = C ( [C@H] ( C ( = O ) [O-] ) O ) C O | MPASNFPTGVHDMRLGVIADDFTGATDIAGFLVGNGLRTIQLNGVPADDLAVDADAVVISLKARSCPTGQAIAESLAALKWLQKNNCQQFFFKYCSTFDSTPKGNIGPVTDALLEALGEEFTVICPALPVNGRTIYNGYLFVNGVLLSETGMRNHPVTPMTDSNIMRVMESQSRGRAGNISSTIVDQGSDAVRDALRKLQSEGIRYAVLDALNDQHIETLGRAVSQMKLVTGGSGLADGMARAWTQLRGKNVAAAEAAGAPVKGRTVILSGSCSQMTNAQVAAYKAKAPALAMDVEKAINDAAYIDVLAEWVLAQSGDAL... | tensor([[ 8.4201e-02, -5.8980e-02, -3.0639e-02, 7.6695e-02, 2.7211e-02,
1.5123e-02, 6.9924e-02, -4.1565e-02, -8.8786e-02, 9.4726e-02,
-1.1629e-01, -3.1376e-02, -4.4637e-02, 2.0373e-02, -1.1122e-02,
-4.5137e-02, -6.4116e-02, 1.4153e-01, -1.5450e-01, -2.4500e-02,
2.2388e-02, 1... |
O 1 [C@@H] ( [C@@H] ( O ) [C@@H] ( O ) [C@@H] 1 n 1 c 2 c ( c ( N ) n c n 2 ) n c 1 ) C O P ( O P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) = O ) ( = O ) [O-] . [O-] C ( = O ) [C@@H] ( C ( = O ) C O ) O | C ( = O ) ( [C@@H] ( O ) C ( [O-] ) = O ) C O P ( = O ) ( [O-] ) [O-] . [H+] . [O-] P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) ( = O ) O P ( = O ) ( [O-] ) [O-] | MLKIGVIADDFTGATDIASFLVENGMPTVQINDVPTGTQPEGCDAVVISLKTRSCPAQEAIKQSLAALVWLKKQGCQQVYFKYCSTFDSTAEGNIGPVTDALMVALDTSFTVISPALPVNGRTVYQGYLFVMNHLLAESGMRHHPINPMTDSYLPRLMEAQAQGRCGVIPAQTLDEGVAATRAALSRLQQEGYRYAVLDALNERHLEIQGEVLRDAPLVTGGSGLAMGLARQWAKHGVSQARSAGYPLSGRAVVLSGSCSQMTNQQVAFYRQHAPTRDVDVARCLSSETREAYAEALAQWVLSQDSELAPMISATASTQA... | tensor([[ 6.9791e-02, -5.3640e-03, -2.0262e-02, 1.6043e-01, 1.2971e-02,
2.2728e-02, 1.6860e-01, 3.5896e-03, -4.9887e-02, 1.0670e-01,
-8.0647e-02, -6.5342e-02, -8.5487e-02, 5.7224e-02, -6.2238e-02,
-1.0101e-01, -8.9316e-02, 1.4242e-01, -1.8271e-01, -2.7701e-02,
2.4367e-02, 1... |
[H+] . O = P ( O C C ( = O ) [C@H] ( C ( = O ) [O-] ) O ) ( [O-] ) [O-] . n 1 c n c 2 c ( c 1 N ) n c n 2 [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@H] ( O 1 ) C O P ( O P ( = O ) ( [O-] ) [O-] ) ( = O ) [O-] | O C C ( = O ) [C@@H] ( O ) C ( [O-] ) = O . [O-] P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( n 2 c 3 c ( c ( n c n 3 ) N ) n c 2 ) O 1 ) [O-] | MLKIGVIADDFTGATDIASFLVENGMPTVQINDVPTGTQPEGCDAVVISLKTRSCPAQEAIKQSLAALVWLKKQGCQQVYFKYCSTFDSTAEGNIGPVTDALMVALDTSFTVISPALPVNGRTVYQGYLFVMNHLLAESGMRHHPINPMTDSYLPRLMEAQAQGRCGVIPAQTLDEGVAATRAALSRLQQEGYRYAVLDALNERHLEIQGEVLRDAPLVTGGSGLAMGLARQWAKHGVSQARSAGYPLSGRAVVLSGSCSQMTNQQVAFYRQHAPTRDVDVARCLSSETREAYAEALAQWVLSQDSELAPMISATASTQA... | tensor([[ 6.9791e-02, -5.3640e-03, -2.0262e-02, 1.6043e-01, 1.2971e-02,
2.2728e-02, 1.6860e-01, 3.5896e-03, -4.9887e-02, 1.0670e-01,
-8.0647e-02, -6.5342e-02, -8.5487e-02, 5.7224e-02, -6.2238e-02,
-1.0101e-01, -8.9316e-02, 1.4242e-01, -1.8271e-01, -2.7701e-02,
2.4367e-02, 1... |
[C@@H] 1 ( O [C@@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) [C@@H] ( [C@@H] 1 O ) O ) C O P ( = O ) ( O P ( [O-] ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) [n+] 1 c c ( c c c 1 ) C ( = O ) N ) = O ) [O-] . C ( C ( [NH3+] ) C ) ( O ) C . O | [NH4+] . [H+] . O C ( C ) C ( C ) = O . c 1 n c ( c 2 c ( n 1 ) n ( [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@@H] ( C O P ( = O ) ( O P ( = O ) ( [O-] ) O C [C@@H] 3 [C@H] ( [C@@H] ( O ) [C@H] ( N 4 C = C ( C ( N ) = O ) C C = C 4 ) O 3 ) O ) [O-] ) O 1 ) c n 2 ) N | MISTVVWGTGNVGRLAIRAVEAHPALQLCAVIVHNPAKVGRDAGELGELDRLLGVEATDDIEAVLAARPRAVVYAASGDVRPDEALADITRAVRSGAVVVSPALYPLYDHRNAPPEFRDPVLAAVTEGGGSLFASGVDPGWGNDVLPLLLSGLGTTIDVIRCQEIFDYSTYDQPDSVRYLVGMGQPMDYEPMMLMPSIPTMVWGGQIRMMARALGVELDEIRETSDRRALDTTVTTRTMGEFGAGTQGAIRFEVQGIVEGEPRIVIEHVTRIHPSCAPDWPVPPDGGDGAHRVVIEGRPRIEVTIEATDEGENRSAGGNA... | tensor([[ 1.7948e-01, -4.1355e-02, -2.3033e-02, 5.2013e-02, -6.9121e-02,
7.8749e-02, 5.1492e-02, -1.5887e-01, -1.2109e-02, 1.4640e-03,
-7.1990e-02, 3.1281e-02, 2.1023e-02, -5.1976e-02, -2.2145e-01,
-1.6418e-02, -1.4279e-01, 3.5034e-02, -2.8893e-01, -1.6926e-01,
8.2064e-02, 4... |
[H+] . [NH4+] . C ( O P ( = O ) ( O P ( [O-] ) ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) N 1 C = C ( C ( = O ) N ) C C = C 1 ) = O ) [O-] ) [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c ( n c n c 1 2 ) N . C C ( C ( O ) C ) = O | O C ( C ) C ( C ) [NH3+] . O . n 1 c n c ( c 2 n c n ( [C@H] 3 [C@@H] ( [C@H] ( O ) [C@H] ( O 3 ) C O P ( [O-] ) ( = O ) O P ( O C [C@@H] 3 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 3 ) [n+] 3 c c c c ( C ( N ) = O ) c 3 ) ( = O ) [O-] ) O ) c 1 2 ) N | MISTVVWGTGNVGRLAIRAVEAHPALQLCAVIVHNPAKVGRDAGELGELDRLLGVEATDDIEAVLAARPRAVVYAASGDVRPDEALADITRAVRSGAVVVSPALYPLYDHRNAPPEFRDPVLAAVTEGGGSLFASGVDPGWGNDVLPLLLSGLGTTIDVIRCQEIFDYSTYDQPDSVRYLVGMGQPMDYEPMMLMPSIPTMVWGGQIRMMARALGVELDEIRETSDRRALDTTVTTRTMGEFGAGTQGAIRFEVQGIVEGEPRIVIEHVTRIHPSCAPDWPVPPDGGDGAHRVVIEGRPRIEVTIEATDEGENRSAGGNA... | tensor([[ 1.7948e-01, -4.1355e-02, -2.3033e-02, 5.2013e-02, -6.9121e-02,
7.8749e-02, 5.1492e-02, -1.5887e-01, -1.2109e-02, 1.4640e-03,
-7.1990e-02, 3.1281e-02, 2.1023e-02, -5.1976e-02, -2.2145e-01,
-1.6418e-02, -1.4279e-01, 3.5034e-02, -2.8893e-01, -1.6926e-01,
8.2064e-02, 4... |
C C ( O ) C ( C ) [NH3+] . O . c 1 c [n+] ( c c ( C ( = O ) N ) c 1 ) [C@H] 1 [C@@H] ( [C@H] ( O ) [C@@H] ( C O P ( = O ) ( O P ( [O-] ) ( = O ) O C [C@@H] 2 [C@H] ( [C@@H] ( O ) [C@H] ( n 3 c 4 n c n c ( N ) c 4 n c 3 ) O 2 ) O ) [O-] ) O 1 ) O | [H+] . [NH4+] . c 1 ( n c n c 2 n ( c n c 2 1 ) [C@@H] 1 O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( = O ) ( O P ( O C [C@H] 1 O [C@@H] ( N 2 C = C C C ( = C 2 ) C ( = O ) N ) [C@@H] ( [C@@H] 1 O ) O ) ( [O-] ) = O ) [O-] ) N . C C ( C ( O ) C ) = O | MISTVVWGTGNVGRLAIRAVEAHPALQLCAVIVHNPAKVGRDAGELGELDRLLGVEATDDIEAVLAARPRAVVYAASGDVRPDEALADITRAVRSGAVVVSPALYPLYDHRNAPPEFRDPVLAAVTEGGGSLFASGVDPGWGNDVLPLLLSGLGTTIDVIRCQEIFDYSTYDQPDSVRYLVGMGQPMDYEPMMLMPSIPTMVWGGQIRMMARALGVELDEIRETSDRRALDTTVTTRTMGEFGAGTQGAIRFEVQGIVEGEPRIVIEHVTRIHPSCAPDWPVPPDGGDGAHRVVIEGRPRIEVTIEATDEGENRSAGGNA... | tensor([[ 1.7948e-01, -4.1355e-02, -2.3033e-02, 5.2013e-02, -6.9121e-02,
7.8749e-02, 5.1492e-02, -1.5887e-01, -1.2109e-02, 1.4640e-03,
-7.1990e-02, 3.1281e-02, 2.1023e-02, -5.1976e-02, -2.2145e-01,
-1.6418e-02, -1.4279e-01, 3.5034e-02, -2.8893e-01, -1.6926e-01,
8.2064e-02, 4... |
[H+] . C C ( C ( C ) = O ) O . [NH4+] . n 1 c 2 c ( n ( [C@@H] 3 O [C@H] ( C O P ( O P ( = O ) ( [O-] ) O C [C@H] 4 O [C@@H] ( N 5 C = C C C ( = C 5 ) C ( N ) = O ) [C@@H] ( [C@@H] 4 O ) O ) ( [O-] ) = O ) [C@@H] ( O ) [C@H] 3 O ) c 1 ) n c n c 2 N | C ( C ) ( [NH3+] ) C ( C ) O . O . [O-] P ( O P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 c ( n c 1 ) c ( N ) n c n 2 ) ( [O-] ) = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) [n+] 1 c c c c ( c 1 ) C ( N ) = O ) O ) = O | MISTVVWGTGNVGRLAIRAVEAHPALQLCAVIVHNPAKVGRDAGELGELDRLLGVEATDDIEAVLAARPRAVVYAASGDVRPDEALADITRAVRSGAVVVSPALYPLYDHRNAPPEFRDPVLAAVTEGGGSLFASGVDPGWGNDVLPLLLSGLGTTIDVIRCQEIFDYSTYDQPDSVRYLVGMGQPMDYEPMMLMPSIPTMVWGGQIRMMARALGVELDEIRETSDRRALDTTVTTRTMGEFGAGTQGAIRFEVQGIVEGEPRIVIEHVTRIHPSCAPDWPVPPDGGDGAHRVVIEGRPRIEVTIEATDEGENRSAGGNA... | tensor([[ 1.7948e-01, -4.1355e-02, -2.3033e-02, 5.2013e-02, -6.9121e-02,
7.8749e-02, 5.1492e-02, -1.5887e-01, -1.2109e-02, 1.4640e-03,
-7.1990e-02, 3.1281e-02, 2.1023e-02, -5.1976e-02, -2.2145e-01,
-1.6418e-02, -1.4279e-01, 3.5034e-02, -2.8893e-01, -1.6926e-01,
8.2064e-02, 4... |
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