Added 131 molecules from epoch 16607 for Q8BRU6
Browse files- Q8BRU6_molecules.csv +131 -0
Q8BRU6_molecules.csv
CHANGED
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@@ -20506,3 +20506,134 @@ F9F042E3E557EB10_715E248E2A74125F_6038_UN,O(C1CC(C1)C2CCC2)C([C@]3(C[C@H]3C(OC)=
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| 20506 |
FC4A24778E4916A9_E452563C0B2CE40E_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=N[NH]2)NC3=CC(=CC=C3)[N]4C(=NC=C4)S,SQNKDNGNKAYSIR-UHFFFAOYSA-N
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| 20507 |
FDAB897B0E43EFFC_0FC90FEC69BB5992_6038_DP,CCOC(=O)[C@@H](OC([C@@H]1C[C@H]1C2CCNCC2)=O)CC,GXHSRMCXDYZHGL-XQQFMLRXSA-N
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| 20508 |
FFC856D41288DD56_58F02E6D848D5743_6038_UN,O(CC1CC(C1)C2CC2)C([C@]3(C[C@H]3C(OC)=O)C(C)C)=O,WIKFTYPRKNPMFM-JFOLYBEZSA-N
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| 20506 |
FC4A24778E4916A9_E452563C0B2CE40E_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=N[NH]2)NC3=CC(=CC=C3)[N]4C(=NC=C4)S,SQNKDNGNKAYSIR-UHFFFAOYSA-N
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| 20507 |
FDAB897B0E43EFFC_0FC90FEC69BB5992_6038_DP,CCOC(=O)[C@@H](OC([C@@H]1C[C@H]1C2CCNCC2)=O)CC,GXHSRMCXDYZHGL-XQQFMLRXSA-N
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| 20508 |
FFC856D41288DD56_58F02E6D848D5743_6038_UN,O(CC1CC(C1)C2CC2)C([C@]3(C[C@H]3C(OC)=O)C(C)C)=O,WIKFTYPRKNPMFM-JFOLYBEZSA-N
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| 20509 |
+
00B9F5C76C85F6AC_E82073FF77C8338D_6041_UN,CC1=CC(=C(S1)[Si](C)(C)C)N[C@@H]3[C@H](CC2=NN(C)C(N2C)=O)CCCC3,MBURMYSHMBXOER-GJZGRUSLSA-N
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| 20510 |
+
00BD5CF90E7CD4BC_FAD00919F9CA79DC_6041_DP,C[N]1N=CC2=C1N=CN=C2[N]3C=C(C=N3)N[C@]45CCC[C@]4(CNC5)F,OTMJFDJFWAJZBS-CVEARBPZSA-N
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| 20511 |
+
04202EF1E89D070A_2833F4CA8DC204F8_6029_UN,N(C1=CC2=C(C=C1)C=NC=C2F)[S](C4=C3[NH]N=CC3=CC=C4)(=O)=O,PABFJAHZKYTIGJ-UHFFFAOYSA-N
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| 20512 |
+
0747D00589E3556C_061BCFB2F06D5E33_6029_UN,N(C2=C1OC=CC1=C(C=C2)Cl)[S](C3=CC=CC4=CC(=NC=C34)O)(=O)=O,SQEDRVRGXCDFNM-UHFFFAOYSA-N
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| 20513 |
+
089C62AB574F0212_2F4673CA70C41203_6041_UN,C2(=C1OCCCOC1=CC(=C2)CC#N)NC3=CC4=C(C=C3)N=N[N]4O,WHTHHBKSHCXGMZ-UHFFFAOYSA-N
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| 20514 |
+
08DECD6CFA70264A_8500B7E93DA7CC06_6041_UN,O=[N](=O)C1=CC=C(S1)NC2=CC(=NC=C2)SC3=NC=CC=C3,BQJXVCNWSXKRDH-UHFFFAOYSA-N
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| 20515 |
+
0AD99E045808A6EA_2669C71B0B814268_6035_DP,C[C@@H]1CC[C@H](C[C@H]1OC2=NC=NC3=C2[N](C)N=C3Br)N,GLAROYFZYULNLH-IWSPIJDZSA-N
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| 20516 |
+
0C1CE096F6994D34_17B440CF2A9F3AEA_6035_UN,O(CCCOC1CCCCC1)C2=C(C=C(CCC)C=C2OC)OC,LRIRYHMBVGMTCI-UHFFFAOYSA-N
|
| 20517 |
+
0DC165EE300FF212_7846DFF3DB89F055_7005_UN,CN1C(=O)N(C)C2=CC3=C(C=C12)[NH]C(=N3)C4=CCCSC4,XMPHFOAVNGMDSB-UHFFFAOYSA-N
|
| 20518 |
+
0DC90DE3443E6C7F_234CB886FB742BDF_6034_UN,NCCC1=CN=CN1C2=C(SC(=C(OC)O)C2=O)C#N,JIXZGGYVIOUEEJ-UHFFFAOYSA-N
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| 20519 |
+
0F553B2ED111ED33_182304FB8EBD584F_6035_UN,O(CC2=NN=C(C1CC1)[N]2C3CC3)C5=NC4=C(C(=N[N]4C)C)C(=C5)Cl,RUQKGBNSBCXZIL-UHFFFAOYSA-N
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| 20520 |
+
103EDF2B5AE359F4_60AF86FFAF7AB95F_6031_UN,COC1=C(NC(=O)NC1=O)C(=O)OC[C@H]2CC[C@H](CO[Si](C(C)(C)C)(C)C)CC2,XFHZZRFPQMDBQG-HDJSIYSDSA-N
|
| 20521 |
+
105319565EFA5ABE_80F173298F39AD55_6026_UN,[S](=O)(=O)(C1=CC=C(S1)C2CC2)N4CC(C3=NC=C(Br)C=C3)(C4)C#N,CMBIXTRWIWKTPM-UHFFFAOYSA-N
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| 20522 |
+
11A92B5B53B893F7_B04D2FE654AFA52D_6029_UN,N(C1=CC(=C(C=C1)C2=NN=CO2)F)[S](C4=C3C=NC=CC3=CC=N4)(=O)=O,ZUXKTKASAPKTEB-UHFFFAOYSA-N
|
| 20523 |
+
11BFE8EE397544E3_CA9E36F0EFDF65A5_6041_UN,COC1=CC2=C(C(=C1)OC)N=CN=C2NCCC[Si]34OCCN(CCO3)CCO4,XNYAJVIHTRRSTD-UHFFFAOYSA-N
|
| 20524 |
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14D5ADCA11A1D9ED_06BAE233B735D9B3_6031_UN,O(C(=O)C12CCC(F)(CC1)CC2)CC3=C(ON=C3OC)C,DONSEZHLHAHQAL-UHFFFAOYSA-N
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| 20525 |
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21BB3A3F98DDD9E9_055D0608249BA875_6034_UN,O=[N](=O)C1=CC2=C(C=C1)N(C(=N2)C3=CSC=N3)C4=C(CNC4=O)C#N,NIQJRLIHLBZTJY-UHFFFAOYSA-N
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| 20526 |
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2439106EE0CEC7A3_57ED9F4D2D38C03F_6039_UN,COC(=O)C23CC(COCC1=C(ON=C1OC)C)(C2)CO3,SHFOWVPWMZQZSG-UHFFFAOYSA-N
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| 20527 |
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24C1BD3048ABF0C5_251E29CF5ECF61F7_6041_UN,C2(=C(C=C1OCOC1=C2)CC#N)NC4=CC3=NNC(N3C=C4)=O,IBYQEVVBTUBZTQ-UHFFFAOYSA-N
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| 20528 |
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25AB841B0E73C221_0931A76F4FD29AF3_6029_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C4=C3SC=CC3=CN=C4)(=O)=O,BZHWIGZYHQECKI-UHFFFAOYSA-N
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| 20529 |
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273E57B072BFDB1A_B653F798591FE370_6038_UN,COC1=NC=NC(=C1)CNC(C34CC2(CC(CC(C)(C2)C3)(C)C4)C)=O,CFPGSMSISNUPGW-UHFFFAOYSA-N
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| 20530 |
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2765FDAA0AE9DD04_E63EBC29EDBC104A_6031_UN,N[C@@H](CCCNC(=N)N)C(=O)OCC(OC)C1CCCC1,IIORPEKTDZZFNO-PXYINDEMSA-N
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| 20531 |
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27A6C773B25B4EE8_B045416319DB90CA_6035_UN,O(CCCOC1CCCC1)C2=C(C=C(CC)C=C2OC)OC,ICMAKEUMEVLXAZ-UHFFFAOYSA-N
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| 20532 |
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2C686ED1478B1707_D52083B39925347C_6041_UN,O=[N](=O)C1=CC4=C(C(=C1)NC3=C[N]2C(=CN=C2)C=C3)C=N[NH]4,CWTMODSYXODMCR-UHFFFAOYSA-N
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| 20533 |
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2D1666FECDB5C801_0751628DE2B9801A_6041_UN,COC1=NC(=NC(=C1)OC)NCC23CC(C(C)C)(C2)CO3,QHZPGHXMRAVFRL-UHFFFAOYSA-N
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| 20534 |
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30CDCF36285D268F_669AC779A061C93C_6029_UN,N(C2=C1N=C(C=CC1=CC=C2)Cl)[S](C4=C3SC=CC3=CC=N4)(=O)=O,JTRQOOVZXNZSTB-UHFFFAOYSA-N
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| 20535 |
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310EB2F2C69382D7_1FD495C8A392CE42_6029_UN,N(C(C1=CC=NC=C1)C2=CC=C(C=C2)F)[S](C3=CC=NC4=C(O)C=CC=C34)(=O)=O,VSDFVTSKXRJRTH-UHFFFAOYSA-N
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| 20536 |
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31F0D57353749D71_855EDBFE8B731135_6041_DP,C[N]1C(=NC2=C1C(NC(N2C)=O)=O)NC[C@@H]3C4([C@H](O)C3)CCC4,IRFTYRXSVCKUKQ-RKDXNWHRSA-N
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| 20537 |
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394FB2D32881062C_307018D6F11495FE_6031_UN,O(C(=O)C23CC1CC(CC(Br)(C1)C2)C3)CC4=C(ON=C4OC)C,VUXBWEQIVLSAHQ-UHFFFAOYSA-N
|
| 20538 |
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39C7BC8E28245FEF_667E5826F1619DAC_6034_UN,NC1=NC2=C(C=C1)C(=CC(=O)N2CC3=CC4=C(C=C3)OCCO4)CCl,MIXFEASCAWRFSM-UHFFFAOYSA-N
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| 20539 |
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3AB0F9305B68CFA6_921FE22F0AC30035_7022_UN,CC1=C(C=C(C=C1)NCC34CC2CC(CC(C)(C2)C3)(C4)C)Cl,CWMZLEKFWJCXBQ-UHFFFAOYSA-N
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| 20540 |
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3E881AADAD443441_C590B801E1B28410_6035_DP,C[N]1C=C(N=N1)[C@@H]2CNC[C@H]2OC4=NC3=C(C(=N[N]3C)C)C(=C4)Cl,YDYLAQNYTBGVSU-JOYOIKCWSA-N
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| 20541 |
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4265E6BB50C7C5B9_18CA1C5D6B215B5A_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=C(C=CN=C2)[N]3C=CC=N3)S,FQSWOKXBURSNBI-UHFFFAOYSA-N
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| 20542 |
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460DC5F1F1F057D5_DB8C89D3E08B9A95_6031_UN,N[C@@H](CCCNC(=N)N)C(=O)OCC1CCC(OC)CC1,CHZWLWNDBBAPRF-MCIGGMRASA-N
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| 20543 |
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47B5169302E4265B_FC7ABCE16B84A104_6035_UN,CC=C[C@@H]1CCC[C@H]1OC2=NC=NC3=C2[N](C)N=C3Br,KDXNTENZHFHYPL-NXEZZACHSA-N
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| 20544 |
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4EA142C31ABCE195_AB0E11303886417D_6038_UN,CCC(=C(N=O)C(=O)OC)OC([C@@H]1CCC[C@H]1C(C)C)=O,QTMZKSPKKNYVDE-WDEREUQCSA-N
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| 20545 |
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51283989FCCA385C_842FA089ED940889_6029_UN,N(C(C1=CC=NC=C1)C2=CC=C(C=C2)F)[S](C4=NC3=C(O)C=CC=C3C=C4)(=O)=O,IUACOQVPOUOOSS-UHFFFAOYSA-N
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| 20546 |
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5644C64BAAE6413D_9C86652C6E729846_7005_UN,CN1C(=O)N(C)C2=CC3=C(C=C12)[NH]C(=N3)C4=CN=C5CCCN[N]45,SLROITGZBVWENL-UHFFFAOYSA-N
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| 20547 |
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57A5021B2F5BBC50_D85982B4BB63C83A_6035_UN,O(CCCSC1CC1)C2=C(C=C(CCC)C=C2OC)OC,KSQCAPMHQPCLSC-UHFFFAOYSA-N
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| 20548 |
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58C7F59D3205150C_5B9ED17E671E515D_6035_UN,O(C1CCC(F)(F)CC1)C2=C(C=C(CC)C=C2OC)OC,YGHBSEXMNPQUJO-UHFFFAOYSA-N
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| 20549 |
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5C7E10CB9566384A_6425997B91370557_6035_UN,O(CCCSC1CC1)C2=C(C=C(CC)C=C2OC)OC,PJMBQJDGBFMBCY-UHFFFAOYSA-N
|
| 20550 |
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648C405652DFA680_30467E2BBECF0313_6041_UN,O=[N](=O)C1=C(N=CC(=C1)NC2=CC4=C(C=C2)N=C3CCCN3C4=O)C#N,VFDPYHFCGXWGKM-UHFFFAOYSA-N
|
| 20551 |
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6966CC1551996F27_85E3F6CDD62F7CB4_6038_UN,C[C@H](OC(C1=C(ON=C1OC)C)=O)C2CCC(C)(C)CC2,TXPOXFYCRYHVBU-JTQLQIEISA-N
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| 20552 |
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701C178864149E5B_CF166EF45E68A60E_6035_UN,CC1NCC(C(C1)OC2=NC(=NC(=C2)C3CC3)C4CC4)C,MSOITCCLHVORLZ-UHFFFAOYSA-N
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| 20553 |
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71A74A1A93A9D885_5A30FDA0AC417696_7005_UN,CN1C(=O)N(C)C2=CC3=C(C=C12)[NH]C(=N3)C4=CC5=C(N=C4)CCN5,OWWYFZACPGLFKH-UHFFFAOYSA-N
|
| 20554 |
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735EB9DD86F6A33F_B2B1101F24ECC082_6031_UN,N[C@@H](CCCNC(=N)N)C(=O)OCC(OC)C1CCCCC1,FBLIJEBLBSHJSW-UEWDXFNNSA-N
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| 20555 |
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74514FD08BFFE801_762E01B84B094B51_7022_UN,CC1=C(C(=C(C=C1)NCC34CC2CC(CC(C)(C2)C3)(C4)C)F)F,QTGUXRGBQHEILG-UHFFFAOYSA-N
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| 20556 |
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| 20557 |
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| 20558 |
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79D7A96151FB46CA_68A777D7486C8F54_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NC2=CC=C(C=C2)[N]3C=CN=C3)S,LVUGYMFDDJFOMI-UHFFFAOYSA-N
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| 20559 |
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| 20560 |
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| 20561 |
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| 20562 |
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| 20563 |
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8597D69183A3317D_4E85DFCA3EB83935_6039_DP,COC(=O)C2(CC(COCC1=NOC(=N1)C(C)(C)C)C2)N,BYBXEVKVGRMRJN-UHFFFAOYSA-N
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| 20564 |
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| 20565 |
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| 20566 |
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8D15044E51AF771E_6A3AE1C836CA82A0_6028_UN,N(C2=C1N=C(C=CC1=CC=C2)Br)[S](C4=C3C=COC3=CC=N4)(=O)=O,OBMAMUSNARUXLS-UHFFFAOYSA-N
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| 20567 |
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90EEC21B463D09DD_E0BD03D368885DD1_6029_UN,N(C1=CC2=C(C=C1)C(=NC=C2)Cl)[S](C3=CSC4=CC=CC(=C34)O)(=O)=O,RSROKCJZMLFHCR-UHFFFAOYSA-N
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| 20568 |
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9256F9B9A1A3A73E_1DB6D840020BEA9B_6028_UN,N(C2=C1N=C(C=CC1=CC=C2)Cl)[S](C4=C3C=COC3=CC=N4)(=O)=O,RNCTWTDAQNQDMG-UHFFFAOYSA-N
|
| 20569 |
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93DCFA771E65FC31_9C0C5B5B7D83D5F2_6029_UN,N(C2=C1OC=CC1=C(C=C2)Cl)[S](C4=CC3=CC=NC(=C3C=C4)O)(=O)=O,IEOWLRODEHCGQL-UHFFFAOYSA-N
|
| 20570 |
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93E24D9F561E3CE8_F929B20AFDBC49FC_6041_UN,F[S](=O)(=O)C1=C[NH]C2=C1C=CC(=N2)NC3=CC=C(C=C3)C5=C[N]4C=CSC4=N5,CRIOXMMIMFKDRH-UHFFFAOYSA-N
|
| 20571 |
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961CABE504DA7854_C3735DFF44B47A4D_6031_UN,O(C(=O)C13CC(C1)(C2COC2)C3)CC4=N[N](C(=C4)OC)C,LSOUVTBVGXOFMJ-UHFFFAOYSA-N
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|
| 20636 |
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rxn:2:135563:149595,,
|
| 20637 |
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rxn:2:75703:105663,,
|
| 20638 |
+
rxn:2:83811:92868,,
|
| 20639 |
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rxn:2:90285:102685,,
|