Added 65 molecules from epoch 15513 for P31645
Browse files- P31645_molecules.csv +65 -0
P31645_molecules.csv
CHANGED
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@@ -7339,3 +7339,68 @@ E6136A75DBEAFDF1_CC1AD6EF57C21188_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N2CCCC2C3=C
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| 7339 |
E82E0886C6E1ABA3_D57EEE0E89C422AB_7019_DP,N3CCC(C=CC1=C([N](C)C2=C1C=CC=C2)Cl)C3(C)C,PAEYZUDGOLSGIM-UHFFFAOYSA-N
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| 7340 |
EF2F681F97E34246_D5B28524C5EC3718_6038_UN,CCSC2(CNC(C(N(C)C)(C)C1=CC=C(C=C1)F)=O)CC2,VUZVNPCZZBOGHJ-UHFFFAOYSA-N
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| 7341 |
F59211041B05781E_90729AF5CD362883_6035_UN,COC1=C(C=CC=C1)C(OC2=CC=C(C=C2)C3CNC3)CN,XKGZSSOYNMKZSE-UHFFFAOYSA-N
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| 7339 |
E82E0886C6E1ABA3_D57EEE0E89C422AB_7019_DP,N3CCC(C=CC1=C([N](C)C2=C1C=CC=C2)Cl)C3(C)C,PAEYZUDGOLSGIM-UHFFFAOYSA-N
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| 7340 |
EF2F681F97E34246_D5B28524C5EC3718_6038_UN,CCSC2(CNC(C(N(C)C)(C)C1=CC=C(C=C1)F)=O)CC2,VUZVNPCZZBOGHJ-UHFFFAOYSA-N
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| 7341 |
F59211041B05781E_90729AF5CD362883_6035_UN,COC1=C(C=CC=C1)C(OC2=CC=C(C=C2)C3CNC3)CN,XKGZSSOYNMKZSE-UHFFFAOYSA-N
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| 7342 |
+
0252889705EB0729_46C8FD2CCC068243_6041_UN,COC1=CC(=C(C=C1)NC2=CN=C(C=C2)N3CCCCC3)[N](=O)=O,PNANLVJWDMYGFY-UHFFFAOYSA-N
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| 7343 |
+
036E8D91BCEE43E9_0104484065E53732_6029_DP,COC1=CC2=C(C=C1)CN(C2)[S](C4=CC3=C([NH]C=C3)C=C4)(=O)=O,GDXZNFBTKCZXCA-UHFFFAOYSA-N
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| 7344 |
+
0463472AC13C9324_CCC0251FC67D31B8_6041_UN,CN(C)CC1=CC(=NC=C1)NCC3=NN=C(C2CC2)[N]3C4CC4,GCPPPMHOFJEIJS-UHFFFAOYSA-N
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| 7345 |
+
08AD89E111BD8584_70B727CDAB6DF6A5_6041_UN,CN(C)CC1=CC(=NC=C1)NC2=C(C(OCC)=O)C=NC=C2,JCSHGIPMFKZCJA-UHFFFAOYSA-N
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| 7346 |
+
0E51E7E34C4F62AE_8955375615DCD9E1_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(O)C(=CC(=C4)C#N)Cl)(=O)=O,WXRUCJFYTHGVNL-UHFFFAOYSA-N
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| 7347 |
+
11BC125954CAD710_98B454417B06948C_6029_UN,N(C1=C(C=C(C=C1)I)O)[S](C2=C(OCCC)C=CC(=C2)CC#N)(=O)=O,QFEVJKQDMVORDO-UHFFFAOYSA-N
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| 7348 |
+
12FF4FE0AD2724D2_4AC7B2C86ABDF387_6041_UN,O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC3=CC=CC4=C3N(C)CCC4,HQUTZDOMLBUGQY-UHFFFAOYSA-N
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| 7349 |
+
1352C8AFDE842A15_593EB6EC1987F29B_6041_UN,CN(C)CC1=CC(=NC=C1)NC2=C(CC(OC)=O)C=C3C(=C2)OCCO3,SZGBXFLCABUSAX-UHFFFAOYSA-N
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| 7350 |
+
1935B6B8A4F1FC58_24C87E7DA2A3283B_6041_UN,O=[N](=O)C2=C1C=CN=CC1=C(C=C2)NC3=CC4=C(C=C3)CCOB4O,RLPDHRHAEQUMAH-UHFFFAOYSA-N
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| 7351 |
+
19C9A62EAFB8E475_94C842EC903BDAD9_6041_UN,CN(C)CC1=CC(=NC=C1)NC2=CC=CC3=C2OCCC3N(C)C,HGHBZKLMBGYZNB-UHFFFAOYSA-N
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| 7352 |
+
19EC5B1C00FE8BD2_127E557F32F4DA2E_6041_UN,CN(C)CC1=CC(=NC=C1)NC2=C(OC)N=C(C=C2)N3CCN(C)CC3,ILSRGGOWLRCUFQ-UHFFFAOYSA-N
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| 7353 |
+
19EEE86F0B3C75FA_907D8FCF84C2C46F_6041_UN,CN(C)CC1=CC(=NC=C1)NC3CCCN(CCN2CCOCC2)C3=O,VXJJADPHBIPNDL-UHFFFAOYSA-N
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| 7354 |
+
20B419D8319AB982_4403899A01F2028B_6041_UN,FC2=C1C=C[NH]C1=CC=C2NC3CCCCC3N(C)C,XUBNIDTZNJVCIU-UHFFFAOYSA-N
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| 7355 |
+
2232CB011D9F20A3_0C3E2149110627C4_6041_UN,CN(C)CC1=CC(=NC=C1)NCCCCC[S](C)(=O)=O,ZZJHVLFXUVFAIL-UHFFFAOYSA-N
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| 7356 |
+
227A2D8A1A1BBCD3_4D4D218E99125229_6031_UN,O(C(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC=C(C=C3)Br)CC4C(CNCC4)(F)F,DFFDNQZKQRBLMN-YBYXEBCVSA-N
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| 7357 |
+
2434303DF4A82428_F6BF577B695AD4D4_6038_DP,N1CC2CC1CC2OC(=O)C[C@@H]4CC3=C(C=CC=C3)CN4,VKRLVHFACMOUAD-UFFJXHMVSA-N
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| 7358 |
+
27C0CDF3F04149F8_7C608291AC95D0AB_6041_UN,CN(C)CC1=CC(=NC=C1)NC2=CC(=NC3=C2C=C(C=C3)[N](=O)=O)C,MVCXBWNDSQZYBE-UHFFFAOYSA-N
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| 7359 |
+
2BFF4EB5D3FC066E_940975D0DBA59FA2_6038_UN,COCCN(C)CCNC(=O)C1=CN=C(S1)C2=CC3=C(C=C2)OCO3,YILMMXCZGFGGPY-UHFFFAOYSA-N
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| 7360 |
+
2FBB0E483ADB53F5_C0951F3D11644992_6038_UN,N(CC1=C(C=CC=C1)C#C)C(C2=C(C(=CC(=C2)[S](N)(=O)=O)Cl)F)=O,WNAICXIIWPKRLL-UHFFFAOYSA-N
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| 7361 |
+
30AB7477DCB99EB0_79A667FEFB9C1ACD_6038_UN,CN5CCC1=C(C=CC=C1)C(OC(=O)C4=CC3=C(C=C2OCCOC2=C3)[NH]4)C5,VDOGRAXBRSPFKY-UHFFFAOYSA-N
|
| 7362 |
+
31646C9F61CDB715_E9954624DC8B5C44_6041_DP,O=[N](=O)C1=C(C(=CC=C1)NC2=CC3=C(C=C2)CNCCO3)F,GIBDJPCSFPKZEJ-UHFFFAOYSA-N
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| 7363 |
+
360BB7DDE779025C_9774A8AA4E134FE5_6041_UN,C2(=C1[NH]C=C(C1=CC=C2)CC#N)NC3=CC4=C(C=C3)[S](CC4)(=O)=O,HHQYIBNKFMDFGL-UHFFFAOYSA-N
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| 7364 |
+
381526BB18888824_1D0F815AE7CE83C8_6041_UN,CN(C)CC1=CC(=NC=C1)N[C@H]3CC[C@@H](N2CCN(C)CC2)CC3,QINBMCGMPGFCON-HDICACEKSA-N
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| 7365 |
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3ACDA826288D0B11_FB33EA6218F84F6F_6041_UN,CC1=CC(=CC(=C1)NC(CC2=CC=CC(=C2)OC)(C)C)[N](=O)=O,AWFYGUJYHAPKEN-UHFFFAOYSA-N
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| 7366 |
+
3AF63D7E836BA34F_5F00917CC548514A_6041_UN,NC(=O)NC1=CC(=C(C=C1)F)NC2(CC2)C3=CC4=C(C=C3)OCCO4,WZWYRSISKQRKCQ-UHFFFAOYSA-N
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| 7367 |
+
416BCEE0855E11F4_8289E5304A21449E_6031_UN,O(C(=O)C1=CC2=C(C=C1)C=C(C#N)C=C2)CC3NCC=CC3,ZIZUTEQRTQDUAX-UHFFFAOYSA-N
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| 7368 |
+
47846290AF51B1F1_CB0C990486FA11D8_6041_UN,CN(C)CC1=CC(=NC=C1)NCC(C)C2=NC=C(C)S2,OVSGAXVWECNPHL-UHFFFAOYSA-N
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| 7369 |
+
58C3962F0A12B03D_05522B7CCE9CBE5D_6041_UN,CN(C)CC1=CC(=NC=C1)NCC2CN([S](C)(=O)=O)C2,DUFZOCVFGJERQY-UHFFFAOYSA-N
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| 7370 |
+
597290215642691E_2F194070B3A6BD06_6041_UN,COC1=CC(=C(C=C1)NC4=C3C2=C(CCC2=CC=C3)C=C4)[N](=O)=O,BYYKMUCFHNIFDF-UHFFFAOYSA-N
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| 7371 |
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5EF34C8D4EFFEE91_8E82E3B7BB4D1A18_6041_UN,CN(C)CC1=CC(=NC=C1)NC2CCN(CC2)CCCCC(=O)O,PPOOPJBQLMKHTG-UHFFFAOYSA-N
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| 7372 |
+
620AD50A417F992D_59F529B714597083_6041_DP,O=[N](=O)C1=CC2=C(C=C1)N=C(C=C2C#N)NC4=CC3=C(OCCNC3)C=C4,RCCHSYVUWFMVPJ-UHFFFAOYSA-N
|
| 7373 |
+
6592002890BC16D5_3CEBE9350A4B7B30_6041_UN,CN(C)CC1=CC(=NC=C1)NC3=C2C=CC=CC2=NC(=C3C)C,IXNPYACVYPTYKH-UHFFFAOYSA-N
|
| 7374 |
+
690FA4019B806D50_D0D45DB079E5BA0D_6041_UN,O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC3=CC=CC4=C3CN(C)C4,MYIKWRLKOWFBRR-UHFFFAOYSA-N
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| 7375 |
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795B259FC41C3B3A_49DC8F9485B2CBD2_6041_UN,CN(C)CC1=CC(=NC=C1)NC(CC2=CC=C(C=C2)[N](=O)=O)C(=O)O,UGXOQATWUOZCRZ-UHFFFAOYSA-N
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| 7376 |
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7D4D7D5D998C75BA_A1B04FC1568FCFF8_7022_UN,C1(=CC2=C(C=C1)C=C(Cl)C=C2)NC3(CN(C)C)COC3,SYRCRYZORLWZDK-UHFFFAOYSA-N
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| 7377 |
+
7F4BFE54E3B0E4B4_C425A58D056BF0AB_6041_UN,CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)NC5=C(C=C4CCOC4=C5)[N](=O)=O,YOYMWBMWCHJEOC-UHFFFAOYSA-N
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| 7378 |
+
7F8C1F2E3EF9818A_01009622CBD6B4D4_6041_UN,CN(C)CC1=CC(=NC=C1)NC3C2=C(C=N[N]2CCOC)CCC3,LMCPNNHVIMXMDD-UHFFFAOYSA-N
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| 7379 |
+
8AFC6A4D4365DA1C_AA4D4CCB37F663F8_6041_UN,CC1=CC(=CC(=C1)NCC2=C(C=CC(=C2)OC)F)[N](=O)=O,XGRXGJIDKVDLDA-UHFFFAOYSA-N
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| 7380 |
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90E1DC2584D4F4AF_264CA77B2FC48DAE_6041_UN,FC1=NC2=C(C=C1)C=C(C=C2)NC3=CC=CC4=C3N(C)CCO4,OMTYHYPNDUXNLE-UHFFFAOYSA-N
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| 7381 |
+
917C90A49EFAAA58_732988C8346603B6_6041_UN,CN(C)CC1=CC(=NC=C1)NC2=C(OC)C=C(C=C2)N3CC[S](CC3)(=O)=O,OSVILDOWXZMNKY-UHFFFAOYSA-N
|
| 7382 |
+
9AE12898A53B101A_42E1BEF5714D5110_6041_DP,COC1=CC2=C(C=C1)C(=C(C=N2)[N](=O)=O)NC3=CC=CC4=C3CNC4,WGIZDNZBGRAZMJ-UHFFFAOYSA-N
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| 7383 |
+
9FA4DD548BDB2E7F_0B9884A824563B53_6035_UN,C[C@H](OC1=C(C(=CC=C1)Br)CC=C)C2CCC(C)(C)CC2,TVGKXWXVKIMYOH-AWEZNQCLSA-N
|
| 7384 |
+
A071DCCFCD1BEC23_2D3B726635C30E08_6038_UN,CC(NC(=O)CC1=CC2=C(C=C1)OCC2)C3=CC4=C(C=C3)C=C[N]4C,RAOQBXRSOPFMPO-UHFFFAOYSA-N
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| 7385 |
+
A276F8E46B6B315C_FDFB307B5C22DD9A_6038_UN,N(C1=C2C(=CC=C1)C=C(C=C2)F)C(C3(CN(C)C)CC3)=O,MPTKPOGMMUAPEB-UHFFFAOYSA-N
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| 7386 |
+
A4DAB6D23AE3D9CB_7DAB490A74EC0D50_7019_UN,C[Si](C)(C)C1=CC=C(C=C1)C=CC3=C2CCOCC2=CC=C3,KYJDKSQNQURRJL-UHFFFAOYSA-N
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| 7387 |
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A78776B25254357D_28B062453C10F40B_6041_UN,CN(C)CC1=CC(=NC=C1)NC2CCCC3=C[N](CCOC)N=C23,JRTQMMWIXANRKY-UHFFFAOYSA-N
|
| 7388 |
+
AD9C5DBA71C5B1B0_8A9E654DAF9C91F0_6041_UN,CC2=C(C=C1C(CCOC1=C2)=O)NC4=CC3=C(C(N(C)C)CC3)C=C4,AUGYGPOVNWXQHX-UHFFFAOYSA-N
|
| 7389 |
+
ADC94F8B51B9C530_D4DAE6A058A330B0_6041_UN,O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC4=CC3=C(N(C)CCC3)C=C4,HQQKEGPTLGBLLG-UHFFFAOYSA-N
|
| 7390 |
+
B2DDFF6B129222C0_0AB4B2ED9A4C3676_6041_UN,CC3=CC1=C(C=CC(=C1)NC2CCCC(N(C)C)C2)O3,WULIFNNGJYXZMB-UHFFFAOYSA-N
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| 7391 |
+
B41468F212F4389E_050B79B8CDE74536_6039_UN,O(CC1(CCOCC1)C2CC2)CC4=C[N]3C=CC=C(C)C3=N4,BYOLOZOORLTGNE-UHFFFAOYSA-N
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| 7392 |
+
B9C6386D47DD723B_D8F361C4DBBDDF8D_6026_UN,[S](=O)(=O)(C1=CC=C(O1)C2CC2)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,KMPARTQLHUVTIV-UHFFFAOYSA-N
|
| 7393 |
+
BF47DF2D2A6A1266_C07A5739CCC8ABF5_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)NC3C4CC5CC3CC(C4)(F)C5,LUNJRHQDXHEYKT-UHFFFAOYSA-N
|
| 7394 |
+
C70B73C8FB4AAACA_7E4B592D6C1D3B66_6041_UN,CN(C)CC1=CC(=NC=C1)NC2=C(C=C(C=C2)[N](=O)=O)C#N,GREVOMTXABCBNT-UHFFFAOYSA-N
|
| 7395 |
+
C95E810C5723E4A4_0DDA70F207F5A02A_6041_UN,O=[N](=O)C1=C[NH]C2=C1C=C(C=C2)NC4C3=CC=CC(=C3OCCC4)OC,MSWQBRHZUOCDIQ-UHFFFAOYSA-N
|
| 7396 |
+
CF292721433D4EBE_DD03569CB7587778_6041_UN,CN(C)CC1=CC(=NC=C1)NCCC2=N[N](C)C3=C2C=CC=C3,QPRUHDVPDWWPQK-UHFFFAOYSA-N
|
| 7397 |
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D39FF75BA9D942BD_4F7F65B52C59977F_7019_UN,CN1CC2=C(C1)C=CC(=C2)C=CC3=CC4=C(C=C3)CCO4,HFIQRDHWJMFKND-UHFFFAOYSA-N
|
| 7398 |
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DE3A6B25174C3A6A_9A63213DDDFB1201_6041_UN,COC1=C(C(=CC=C1)OC)NCC2=CC=C([S](N(C)C)(=O)=O)C=C2,TZVUEFRAUWKLHE-UHFFFAOYSA-N
|
| 7399 |
+
E72D075279780DF5_5CBA1D18D2DEF124_6041_UN,C2(=C1[NH]C=C(C1=CC=C2)CC#N)NC3=CC4=C(C=C3)[S](CCC4)(=O)=O,HUHCTDHGYQQZRD-UHFFFAOYSA-N
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| 7400 |
+
E72D075279780DF5_69F6F4EDE56BE55E_6041_UN,C2(=C1[NH]C=C(C1=CC=C2)CC#N)NC3=CC4=C(C=C3)[S](CCC4)(=O)=O,HUHCTDHGYQQZRD-UHFFFAOYSA-N
|
| 7401 |
+
E7D628554C35B93B_436E88D104D14C9B_6038_DP,N(C1=C2C(=CC=C1)OCO2)C(C45CC(C3CNC3)(C4)C5)=O,ZMHLLASTJKGVQD-UHFFFAOYSA-N
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| 7402 |
+
ED32120F788E0675_4EC1FAA07480DEE4_6035_UN,CCOC2CC(OC1=C(C(C)(C)C)C=C(C=C1Br)I)C23CCCC3,NAXGTHNAYURYLK-UHFFFAOYSA-N
|
| 7403 |
+
ED51FADF06A7C68B_2F5D7C7A54B4B48B_6038_UN,CC(C)C1=C(C(=CC=C1)CC=C)NC(C2=C(CC)C=CC(=C2)[N](=O)=O)=O,LUOCVZGLAWAISZ-UHFFFAOYSA-N
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| 7404 |
+
F81D8F2D621D5975_D849545C0CAB76F5_6041_UN,CN(C)CC1=CC(=NC=C1)NC2=C(C(=C(OCC)C=C2)OCC)F,BWMMMVYNUQKFQF-UHFFFAOYSA-N
|
| 7405 |
+
FB026E3798672513_44A954D94B7B57BE_6041_DP,O=[N](=O)C1=CC(=C(C=C1)CC#N)NC3=CC2=C(OCCNC2)C=C3,IDQUUUGWDJESNJ-UHFFFAOYSA-N
|
| 7406 |
+
FCB2D1F73B75979B_AFBEB901BA57720E_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C=C(C(=C1)F)Br)Cl)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,WSJVEOPCNHGUES-WEVMRKIBSA-N
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