Added 130 molecules from epoch 16594 for Q8BRU6
Browse files- Q8BRU6_molecules.csv +130 -0
Q8BRU6_molecules.csv
CHANGED
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@@ -18519,3 +18519,133 @@ rxn:2:85589:83091,,
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| 18519 |
rxn:2:88612:122987,,
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| 18520 |
rxn:2:89807:103105,,
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| 18521 |
rxn:2:97428:107758,,
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| 18519 |
rxn:2:88612:122987,,
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| 18520 |
rxn:2:89807:103105,,
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| 18521 |
rxn:2:97428:107758,,
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| 18522 |
+
00EA908420633B3E_E0100876E26BA568_6034_UN,O=[N](=O)C1=CC2=C(C=C1)C=CN(C2=O)CC3=NC=C(O3)C4=CC=CC=C4,NNSDUCVXJCRPQJ-UHFFFAOYSA-N
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| 18523 |
+
02E4BEB5DC3A22EA_ACB5FF5F9FEDF644_6041_DP,OC(=O)CC1CNC2=C1C=C(C=C2)NC[C@H]3NC(O[C@@H]3C)(C)C,SJDJGLABTXTRBB-MKOUYDOKSA-N
|
| 18524 |
+
03681B5479A8F1F2_EAC64DC1D9C191E9_6029_UN,COC1C2N(C(CC1)C(CC2)OC)[S](C3=C([Si](C)(C)C)C(=CC=C3C(F)(F)F)F)(=O)=O,QBKLPERXFNRBDA-UHFFFAOYSA-N
|
| 18525 |
+
03949A1D2E659BCB_B858B30951AEFFB3_6041_DP,OC(=O)CC3CC1=C(C=CC(=C1)NC[C@H]2NC(OC2)(C)C)C3=O,ZPMZAHXHHQXSRR-GLGOKHISSA-N
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| 18526 |
+
05905D34D766C023_9D408FF49306CDC7_6038_UN,COCC14CC(C1)(CNC(C3=C(C)N(C)C2=NN=N[N]2C3C)=O)OC4,LIXUCEUGXKLHJQ-UHFFFAOYSA-N
|
| 18527 |
+
061801A9B8F878E1_C17E8EB5F0B377B6_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C(C(=CC=C4Cl)F)Cl,JMZPVYFDKDZFJN-IUODEOHRSA-N
|
| 18528 |
+
0932E9C70C07CCAB_340F39EC016F9AB0_6031_UN,O(C(=O)CCC1=NC(=NO1)C2=CC(=CS2)Br)C[C@@H]3[C@@H](CN(C(OCC)=O)C3)N,VNEWAUDTWXRHEK-ZYHUDNBSSA-N
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| 18529 |
+
09E2FCC76E592BF3_85FD32F416B77423_6041_UN,O=[N](=O)C1=CC(=C(C=C1)F)NC2=CC(=CC=C2)[N]3C(=NC=C3)S,PWTVWJHVFFIZLY-UHFFFAOYSA-N
|
| 18530 |
+
09E2FCC76E592BF3_BD7C04ECF5B00766_6041_UN,O=[N](=O)C1=CC(=C(C=C1)F)NC2=CC(=CC=C2)[N]3C(=NC=C3)S,PWTVWJHVFFIZLY-UHFFFAOYSA-N
|
| 18531 |
+
0B9969CC3BE9F43E_FB2EC87E3DC96AC3_6035_UN,C[C@@H]3CCC4[C@@H](C)[C@@H](OC1=C(OC)C=C(C=C1)C2=NC(=CS2)CCl)O[C@@H]5OC6(C)CC[C@@H]3[C@@]45OO6,HNBNVSNSRZYDLV-MSEXIOJHSA-N
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| 18532 |
+
0E1997811F7A8C24_029FD8DF242E2AB2_6035_UN,NC1=NC(=O)N(C=C1F)[C@@H]4CS[C@H](COC2=CC=C(C=C2)C3=CSN=N3)O4,NDJAIAORLUKMTQ-UONOGXRCSA-N
|
| 18533 |
+
0E7CA3C0ABBE430C_210F3E1BAD0896FC_6035_UN,NC1=NC(N(C=C1)[C@@H]4CS[C@H](COC2=C(C=C(C=C2)Cl)C3=C[NH]N=N3)O4)=O,FXIWLWARBZODCF-LSDHHAIUSA-N
|
| 18534 |
+
10CBFDCE4EE28145_777CB09751777C32_6038_UN,COC1=C(C=CC(=C1)C2SCCS2)OC([C@@H]3C[C@H](CC[C@H]3C(C)C)C)=O,RNSHLDMWIHBQIT-BHYGNILZSA-N
|
| 18535 |
+
12C918494673AC19_A8223DE301742957_6034_UN,CC1=C(C2=C(S1)N=C(CCl)N(C2=O)CC3CO[S](=O)O3)C4=CC=C(C=C4)C,GRTHEALNGFPVCR-UHFFFAOYSA-N
|
| 18536 |
+
170AF1F847498DDE_6F8621F8B6CF8D82_6039_UN,CC1=CC(=O)OC2=C1C=CC(=C2)OCC3OC3CCCC,YELTXTVDPIHDAQ-UHFFFAOYSA-N
|
| 18537 |
+
17D32CF3FE451183_38B08BFF3D7601F8_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NC3=CC(=C(C=C3)OC(C)C)OC,KCKDXSPBIASKBE-CHWSQXEVSA-N
|
| 18538 |
+
198A63E1B6D56ACD_38047617CE2F64A1_6034_UN,O=C3N(C1=C(CC(CC1)C2=CC=CC=C2)C=C3C#N)CCC4CNCC(C)O4,SNHVRCWKEPRYQB-UHFFFAOYSA-N
|
| 18539 |
+
1BFD42842D5E0F2A_6FE33838FEAE76DA_6041_UN,O=[N](=O)C2=C1C=C(N=CC1=CC=C2)NC3(CC3)C4=CC(=CC=C4)F,SBFAZZSAJIYRFT-UHFFFAOYSA-N
|
| 18540 |
+
1C15B445752C0964_AA6EAF7CF575055E_6041_UN,OC(=O)C(=O)CC1=CC(=CS1)NCC[C@H]2CCO[C@H]2C,SOMVUYOTWSCBJL-UWVGGRQHSA-N
|
| 18541 |
+
1C4C028572D79EEB_30A059B2065ED178_6038_UN,CC14CC(C1)(CNC(C3=CC2=C(OC)N=CN=C2[N]3CC=C)=O)C4,IMTLAPOGDGBJQG-UHFFFAOYSA-N
|
| 18542 |
+
1E942890BEA25A8A_2623B5F2EF9B3EEC_6034_UN,ClC1=CC=C(C=C1)CC2CCC(=O)N(C2=O)C[C@H]4[C@H]3CNC[C@H]3C4,VKWLXJCAKJDOKG-IJJWKVKNSA-N
|
| 18543 |
+
2193EAFAD3FACE90_DBA1FCE59279D971_6035_UN,CN1[C@H]4CC[C@@H]1C[C@H](OC2=C(C=C(C=C2)CN3CCNCC3)Cl)C4,MHKMRWABVYFZAG-FVQHAEBGSA-N
|
| 18544 |
+
22258E94755BD264_9E2428899EFC998A_6038_UN,C[C@]56CC[C@H]1[C@@H](CCC2=C1C=CC(=C2)OC(C4=CC3=C(SN=C3C)N=C4)=O)[C@@H]5CCC6=O,ZDKTXHABMIELLF-UYDMNARISA-N
|
| 18545 |
+
227CB8D79F931FE0_0EB18899B4115EFB_6041_UN,O=[N](=O)C1=C(C=CC=C1F)NC2=CC(=CC=C2)[N]3C(=NC=C3)S,PPOCJISIOOKJAF-UHFFFAOYSA-N
|
| 18546 |
+
227CB8D79F931FE0_7298EEE3C78C3E75_6041_UN,O=[N](=O)C1=C(C=CC=C1F)NC2=CC(=CC=C2)[N]3C(=NC=C3)S,PPOCJISIOOKJAF-UHFFFAOYSA-N
|
| 18547 |
+
26847EC83696996E_31E7BD8D9ED3C3C6_6038_UN,COC1=C(C=CC(=C1)CC2CC2)OC([C@H]3CC[C@H](CCCCC)CC3)=O,MGAHOLCMXTXTRC-IRJFHVNHSA-N
|
| 18548 |
+
29514A01CC41D656_FDBD6D2175DE3F16_6031_UN,CCC(CC)N1CC(CC1=O)C(=O)OC[C@H]3N[C@H]2CCC[C@H]2C3,CIEYBTFYZDKANH-NTKNUSCESA-N
|
| 18549 |
+
2D0FA56330601920_AB5DC90CC0AF1C10_6041_UN,O=[N](=O)C2=C1C=C(N=CC1=CC=C2)NC3(CC3)C4=CC=C(C=C4)F,IMPBMNMGUVPMBS-UHFFFAOYSA-N
|
| 18550 |
+
2D1C76C630420BB2_132888C2458D440C_6029_UN,O[C@H]1[C@H]([C@@H]2N(C[C@H](C1)C2)[S](C3=C([Si](C)(C)C)C(=CC=C3C(F)(F)F)F)(=O)=O)O,KTCFKAKATMRMTH-VKKKGTNTSA-N
|
| 18551 |
+
2EC20A09EF002637_651719B696824581_6038_UN,COC[C@@H](OC([C@H]1C(C)(C)[C@H]1C2=N[NH]C(=N2)N)=O)CN=[N]#N,ZFXSDBNPJKSUAB-RNJXMRFFSA-N
|
| 18552 |
+
2EDCF261A47BAD40_6A094366BB03A0B9_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NC(CC)(COC)C(=O)OC,KRLGQEFNOACPHE-KVSBIHQSSA-N
|
| 18553 |
+
31AD9401E8AB5B56_EFBD321DDCAE3881_6039_UN,CC1CC(=O)OC2=C1C=CC(=C2)OCC3=CC(=CC4=C3OC(OC4)C5=CC=CC=C5)F,XTUYKLKLVMZCDH-UHFFFAOYSA-N
|
| 18554 |
+
32D334B4F0976AF3_2909F773A35FB592_6041_DP,CC(C#N)C1=CC(=CC=C1)NC(C2CNC2)C3=CC=C(C=C3)F,RIPRRJYYFLPMEM-UHFFFAOYSA-N
|
| 18555 |
+
32D334B4F0976AF3_D69C993A9FB08186_6041_DP,CC(C#N)C1=CC(=CC=C1)NC(C2CNC2)C3=CC=C(C=C3)F,RIPRRJYYFLPMEM-UHFFFAOYSA-N
|
| 18556 |
+
34173F0CE670BA4C_F3B9CF5319C7C4D1_6041_DP,OC(=O)CC3CC1=C(C=C(C=C1)NC[C@H]2NC(OC2)(C)C)C3=O,JHJPLSDSUZWRCG-GLGOKHISSA-N
|
| 18557 |
+
349B44FE2CC2C7E3_325BE75AAB1E38B6_6038_UN,N(CC12CC(C1)(C#N)CO2)C(=O)C3=N[NH]C(=C3)C4=CC=C(C=C4)F,QMMPAAYWJFJQBM-UHFFFAOYSA-N
|
| 18558 |
+
376331E0FB5D4D8C_0506A0EB01AAE832_6029_UN,N(CC1=NOC(=C1)C2=CC=C(C=C2)Cl)[S](C3=CC=CC4=C(O)C=CC=C34)(=O)=O,DLNCJRQNSTUPCS-UHFFFAOYSA-N
|
| 18559 |
+
3EAEC84B1BDE0ABC_2F96C74DBEDAF599_6039_UN,COC1=CC4=C(C=C1)CC(=COCC3CN2CC(CCC2=O)O3)C4=O,QBIUVFBCKIMPNB-UHFFFAOYSA-N
|
| 18560 |
+
3EFB2037F1225A40_6E81466E4005313F_6034_UN,CCC1=CN(C2=C1C=C(C=N2)B3OC(C)(C)C(C)(C)O3)C4=C(C)C(OC4)=O,RFHNJSTYHSVUFI-UHFFFAOYSA-N
|
| 18561 |
+
4019B67A009B3807_C5F8EAF7DD5514E2_6034_UN,O=C3N(C1=C(CC(CC1)C2=CC=CC=C2)C=C3C#N)C[C@@H]4CNC[C@@H](C)O4,ILMQJATYSKCCCA-GZRWEBKMSA-N
|
| 18562 |
+
41771B023368CEC3_2D449719ED36526A_6039_DP,OC(=O)CC1COC2=C1C=CC(=C2)OC[C@H]3NC(O[C@@H]3C)(C)C,PPDAPGDHHCELGH-VBCZDQSUSA-N
|
| 18563 |
+
419DA9E178352537_A7B5AE7EFE344A66_6034_UN,CC1=CN(C(=O)N1C2=C(C=CC=C2)Cl)C[C@H]3[C@@H](CNC3)C4=CC(=CC=C4)F,VQOCMZBBPDRAOZ-WMZOPIPTSA-N
|
| 18564 |
+
44283E95519A6BD2_D6D294474FBFF69F_6041_UN,SC3=NC1=C(C=C(C=C1)NC[C@H]2OC(N(C)C2)=O)C(=O)N3CC=C,QYXNCNJPSGMEFE-LLVKDONJSA-N
|
| 18565 |
+
448C89E67519AF00_9B5D9A4044E1E897_6034_UN,BrC1=CC2=C(C=C1)OC(=O)N(C2=O)C[C@@H]3CNCC[C@@H]3C4=CC=CC=C4,MNKJRSSCXPZGLD-GOEBONIOSA-N
|
| 18566 |
+
4A6FCD4484F95C08_1C445739C3B47E90_6038_UN,CCC3=C(OC(CCC1=C(C)C2=C(NC1=O)N(NC2=O)C)=O)C(=O)CC3,UWVOTGVEVAXUJU-UHFFFAOYSA-N
|
| 18567 |
+
4C6AF8B1C691A908_5E0DC2EB3508A0D8_6031_UN,COCCOCCC1=NC(=C[NH]1)C(=O)OCC23CCC(CC2)(C#C)CC3,GUOMQSCYZFYDRU-UHFFFAOYSA-N
|
| 18568 |
+
4D28FF79114CC559_402854A981498A25_6039_UN,OC(=O)[C@@H]1C[C@H]1C2=CC(=CC=C2)OCC3=CSC(=N3)C(OC)C,FZYXRLNPMNFNIW-XVDHHWJWSA-N
|
| 18569 |
+
5370E3988E7FC00F_36ED83D5C018DF4D_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC4=CC(=C3OCOC3=C4)Cl,NNWZBTMTXDBRPR-UHFFFAOYSA-N
|
| 18570 |
+
53B3D7F7DBB08E1A_8E38D40F0EF682B3_6029_UN,C1COC(CN1[S](C2=C(C=CC(=C2)Cl)CBr)(=O)=O)C4=C3C=CC=CC3=CC=C4,CCSSBCFWRZUSEH-UHFFFAOYSA-N
|
| 18571 |
+
59FA0E48922BEC11_04278C1668A82187_6034_UN,FC1=CC2=C(C=C1)OC(=O)N(C2=O)CC3=C(C=CC=C3)C4CCNCC4,UMORUMXORYVTRP-UHFFFAOYSA-N
|
| 18572 |
+
5D7A13408BDB74A5_EA9C372D257F1A53_6038_UN,N([C@@H]1CONC1=O)C(C2CSCN2C(C(C)(C)C)=O)=O,YOMFCMDDLRYHHX-GVHYBUMESA-N
|
| 18573 |
+
5E5133BBABD3A68F_B1D60ED6C201D460_6039_UN,CC1(C)[C@H]4C[C@@H]1C(=C)[C@@H](OCC2=NC(=NO2)CC3=CC=CC(=C3)F)C4,LMLAXHLWUIJXGW-UAGQMJEPSA-N
|
| 18574 |
+
6236DF50BE119375_6FEE3FBAC9B61792_6029_UN,FC1(C2CC(CC1)N(C2)[S](C3=C[N](COCC[Si](C)(C)C)C(=N3)Cl)(=O)=O)F,WERJYCFKMMZZQA-UHFFFAOYSA-N
|
| 18575 |
+
638DA8119071C1AA_EE3B29A125FEE828_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C(C(=CC=C4F)Br)F,VARPHTBSVDSPPA-IUODEOHRSA-N
|
| 18576 |
+
651E003A2ACB2E6F_865C46A36A1148E3_6035_UN,CC1(C)OB(OC1(C)C)C(=C)COC3=C(C=C2C4=C(C(OC2=C3)=O)CCCC4)Cl,GRHQHVKQVIJZQY-UHFFFAOYSA-N
|
| 18577 |
+
6B337DA340A5CF20_40535D869A4DACE5_6039_UN,O(C1(CSC1)C#C)CC3=NC2=C(C(NC(N2CCCC)=O)=O)[N]3C,SVTQVTDBTJZJGE-UHFFFAOYSA-N
|
| 18578 |
+
6C6E62A217E036AE_C5AA6177945227C7_6034_UN,BrC1=CC2=C(C=C1)OC(=O)N(C2=O)C[C@H]3[C@@H](CNC3)C4=CC(=CC=C4)F,VOMFYOUHPQWRDX-LRDDRELGSA-N
|
| 18579 |
+
6CED4A8E95AC0C56_BCD64955F1CB3339_6038_DP,N(C1=CC(=CC=C1)CC#N)C(C3(ON=C(C2CNC2)C3)C)=O,LTOWIMXWAWUULM-UHFFFAOYSA-N
|
| 18580 |
+
6FB9A83803705719_72BE417EF79F19BA_6041_UN,C1(=CC(=CC=C1)[S](=O)CCCC#N)NC2CCN(CC2)C3COC3,PWBDAUORKVLAKH-UHFFFAOYSA-N
|
| 18581 |
+
71A09C0EA28196AE_5E33B0E2FA7EB691_6039_UN,OC(=O)[C@H]1C[C@H](C1)C2=CC=C(C=C2)OCC3=CSC(=N3)C(OC)C,OGLMTWFUXORNLM-QXMXGUDHSA-N
|
| 18582 |
+
73016C1D2B2F83BE_9B344558FF7B2D92_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC24CC(C2)(N3C(CCCC3)=O)C4)OCC=C,CSNKPUYBHUELLP-UHFFFAOYSA-N
|
| 18583 |
+
736C8A5FDFBF5B17_9A205FD2DC7F3639_6041_UN,OC(=O)CC1=NC(=NO1)C2=CC=C(S2)NC(CC[S](C)(=N)=O)C(=O)O,ZIHCWVIUTSBDEI-UHFFFAOYSA-N
|
| 18584 |
+
753054390F9635A1_A021BE4CAA3A24BC_6039_UN,CC1CCC(=CC1=O)OCC2=CC(=CC3=C2OC(OC3)C4=CC=CC=C4)F,KKRPLDSNMXDSOH-UHFFFAOYSA-N
|
| 18585 |
+
75CF7D08DCE41B98_6F3CC00008BB3090_6035_UN,CC5(C)COC4(C[C@@H]3CC(OC1=CC2=C(C=C1)C(=O)C(=O)C=C2)C[C@@H]3C4)OC5,NKOSLWAQRJNBEJ-BYICEURKSA-N
|
| 18586 |
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