Added 241 molecules from epoch 16748 for P31645
Browse files- P31645_molecules.csv +241 -0
P31645_molecules.csv
CHANGED
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@@ -42695,3 +42695,244 @@ rxn:2:86746:81260,C1CC(OCC2CCC(CNC3CCOC4CC34)O2)CCO1,FURKVLLJMQWNGZ-UHFFFAOYSA-N
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| 42695 |
rxn:2:91877:117872,CN1[C@@H]2COC[C@H]1CC(Nc1ccc(C34CCC(F)(CC3)CC4)cc1)C2,RLJQLNGOJUPMFB-XFPYLNFSSA-N
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| 42696 |
rxn:2:92710:90982,FC12CCCC(CC(Nc3ccc(N4CCC5(CCCCC5)CC4)cc3)C1)C2,SAMOBVKIYADZLS-UHFFFAOYSA-N
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| 42697 |
rxn:2:93299:128428,CN1C[C@@H]2OCC(NC3C[C@H]4C[C@@H]5C[C@H](C4)C[C@H]3C5)CO[C@H]2C1,KOUJDAHUZWPQCD-XTWJXFJJSA-N
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| 42695 |
rxn:2:91877:117872,CN1[C@@H]2COC[C@H]1CC(Nc1ccc(C34CCC(F)(CC3)CC4)cc1)C2,RLJQLNGOJUPMFB-XFPYLNFSSA-N
|
| 42696 |
rxn:2:92710:90982,FC12CCCC(CC(Nc3ccc(N4CCC5(CCCCC5)CC4)cc3)C1)C2,SAMOBVKIYADZLS-UHFFFAOYSA-N
|
| 42697 |
rxn:2:93299:128428,CN1C[C@@H]2OCC(NC3C[C@H]4C[C@@H]5C[C@H](C4)C[C@H]3C5)CO[C@H]2C1,KOUJDAHUZWPQCD-XTWJXFJJSA-N
|
| 42698 |
+
04EE369498E89245_8E21D6FA311E6A05_6029_DP,N1[C@@H]3CC[C@H]1[C@@H](N[S](C2=CC(=C(F)C(=C2)Cl)Cl)(=O)=O)C3,OKSBGZXYVOBVPN-DADVEIPYSA-N
|
| 42699 |
+
0508707FDC7A424E_DDBF9D3F0006A10E_6041_UN,CC(=O)CCC1=CC=C(S1)NC2=C(C=C(OC)C=C2)[N](=O)=O,SQPYPWIGYUTDLK-UHFFFAOYSA-N
|
| 42700 |
+
05899D446AEF605D_B30C70FB79C060A1_7022_DP,CC#CC1=CC(=CC=C1)OC2(CCNC2)CC3=CC(=CC=C3)Cl,UHJQCDPXXRNPAX-UHFFFAOYSA-N
|
| 42701 |
+
06C9466DCDD58D25_7D9577CED2EC51A2_6004_DP,N4CCC1=C(C(=CC=C1C2=CC3=C(C=C2)C=CO3)[N](=O)=O)C4,SGKPPYFSCCCPNG-UHFFFAOYSA-N
|
| 42702 |
+
08D79AE3C999DE28_B01D8C51E5ED5A85_6041_UN,FC1=C(C=CC(=C1)CN=C=O)NC2=C(C=C(OC)C=C2)[S](=O)(=O)C,OFWCBDQLYUWACQ-UHFFFAOYSA-N
|
| 42703 |
+
08E13F6496910B5E_8F3BC673B7F0C740_6038_UN,COC1=CC(=C(C=C1)N[S](=O)(=O)C)NC(C2=[N](C=CC(=C2)OC)=O)=O,XJTRWCBYWKZEKS-UHFFFAOYSA-N
|
| 42704 |
+
09CF4B71540D5A83_3D2BF0662F3B045A_6041_DP,C[N]1N=NC2=C1C=CC(=C2)NC3CNCC4(C3)CCOCC4,WBNJHGRXNXMMIP-UHFFFAOYSA-N
|
| 42705 |
+
0A2A94247AA8CF9D_B114854BFB014222_6035_DP,N1CC3(C1)OC4(COC2=C(C)C=CC=C2Br)CC3(N)C4,MFAGDZUJXMKOTR-UHFFFAOYSA-N
|
| 42706 |
+
0B142886D64580BA_8C8D284E6B7E2D4D_6026_UN,FC1(F)CC1C2=CC(=CC=C2)[S](=O)(=O)NC3=C(C=CC(=C3)OC)I,SMRTWSXABSXMJJ-UHFFFAOYSA-N
|
| 42707 |
+
0B23370504F94A4F_4D9721978D15CCEE_6039_UN,COC1=CC(=CC(=C1)OCC2=CC=C(N[S](C)(=O)=O)C=C2)C(F)(F)F,SABTYJGNMQIYNP-UHFFFAOYSA-N
|
| 42708 |
+
0B5CFF25C836A048_9128872874F629BC_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2=CC(=C(C=C2)[S](=O)(=O)F)C,BSNJVAWQXQQJMN-UHFFFAOYSA-N
|
| 42709 |
+
0C787F78FDAE515A_37DB3154BD29B51E_6026_UN,CCC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(C=CC(=C2)OC)C)CC,YZYFQHJPVOGCDB-UHFFFAOYSA-N
|
| 42710 |
+
0E53FF20497E0D94_A9C525E1A20E6544_6035_UN,CN(C)[C@H]1C[C@H](CC1)OC2=CC3=C(C=C2)CNCCO3,XUJQRSHFDQXEAI-KGLIPLIRSA-N
|
| 42711 |
+
1030B1A31306D688_47E139721C41CB80_6035_DP,N1CC4(C1)OC5(COC3=C2NC(NC2=CC=C3)=O)CC4(N)C5,LBCWINKVGGZIFO-UHFFFAOYSA-N
|
| 42712 |
+
11EA9426ED8A7782_69F20D8A726FBAAE_6034_DP,IC1=CC2=C(C=C1)N=CN(C2=O)CC4=CC3CCC(N3)C4,YKVCDOCMLRFFLZ-UHFFFAOYSA-N
|
| 42713 |
+
122A752867DF97C6_1482814B79A616D1_6035_UN,CO[C@@H]1C[C@H](CNC1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Br,VATIBTLQGIZDPR-QZTJIDSGSA-N
|
| 42714 |
+
137D9EEE11DFD3A2_EA611CCE07878677_6026_UN,FC1(F)CC1C2=CC(=CC=C2)[S](=O)(=O)NC3=C(C=CC(=C3)OC)Cl,AVZSGFJFORJLRL-UHFFFAOYSA-N
|
| 42715 |
+
138E011E5878D1B6_6814B8D6B9E400FC_6029_UN,OC1=CC2=C(C=C1)CN(C2)[S](C3=C[NH]C4=C3C=C(OC)C=C4)(=O)=O,IYLQJHFTYGNFFB-UHFFFAOYSA-N
|
| 42716 |
+
1471A427C73C4EC1_6687F18B07915129_6026_UN,COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(C=CC(=C2)CSC)Cl)OC,IFXLJFYAZVRIEQ-UHFFFAOYSA-N
|
| 42717 |
+
150003784C12C93A_0FE4DABEEB77D83E_6038_UN,COC1=C(C=C(C=C1)NC(C2=CC=C([N]2C)C#N)=O)N[S](=O)(=O)C,GXHNNMPLUZVMNM-UHFFFAOYSA-N
|
| 42718 |
+
160337FF788E9005_218C91BF9BECF98F_6034_DP,ClC1=CC=C(C=C1)N2C=CN(C2=O)CC45OC3(CNC3)C(C4)(N)C5,MJDLEHXGIUICOH-UHFFFAOYSA-N
|
| 42719 |
+
163094E14A5E90FF_BE271D71C1D51369_7022_DP,CN(C)CC1=C(C=C(C=C1)NC3CC2(CNC2)OC3)F,GQFRDPZJOPFOCM-UHFFFAOYSA-N
|
| 42720 |
+
16378349F5F9CFF9_331E0397C2AB9593_7022_DP,CN(C)CC1=C(C=CC(=C1)NC23CCCNCC2C3)F,OWUAGLKWEJJUBL-UHFFFAOYSA-N
|
| 42721 |
+
16378349F5F9CFF9_BED443E306B1642C_6041_DP,CN(C)CC1=C(C=CC(=C1)NC23CCCNCC2C3)F,OWUAGLKWEJJUBL-UHFFFAOYSA-N
|
| 42722 |
+
16E59EC8A9806ED2_B181629C74A9BAF6_6031_DP,O(C(=O)C1=C(C(=CC=C1)Br)Cl)CC3=CC2CCC(N2)C3,OQJVQIRZHSRBME-UHFFFAOYSA-N
|
| 42723 |
+
181242E4BDC889A3_E7F821B8E19F7BDC_6035_DP,N1CC3(C1)OC4(COC2=CC(=C(C)C=C2)Br)CC3(N)C4,FIATTYMRVGGTSF-UHFFFAOYSA-N
|
| 42724 |
+
182B10C5F2EE0A53_1763C5A21A523E80_6038_UN,COC1=C(C=CC(=C1)NC(C2=CC=C([N]2C)C#N)=O)N[S](=O)(=O)C,QOXMTUGGZQBSLM-UHFFFAOYSA-N
|
| 42725 |
+
183484B11002C3E8_6387A2EF20DF7FC4_6041_UN,CC1=CC2=C(C=C1)C=CN=C2NC4=C(C=C3OCCCOC3=C4)[N](=O)=O,LRTFSOXNHXMLGK-UHFFFAOYSA-N
|
| 42726 |
+
1A05F97540A27D67_0CBDC34D80C7DA79_6039_UN,O(C1(CCC1)C2=CC=C(C=C2)F)CC(OC)(OC)OC,NWZLHSCEYNFTIA-UHFFFAOYSA-N
|
| 42727 |
+
1A19E71251E12999_09FB6E45BA0134CF_6027_DP,N1[C@@H]3CC[C@H]1[C@@H](N[S](C2=CC(=C(C)C(=C2)Cl)Cl)(=O)=O)C3,MMKGEQFFTPQLQY-JCOFBHIZSA-N
|
| 42728 |
+
1C6F8FE42C780B93_C4C28111FE1BF297_6041_UN,FC1=C(C=CC(=C1)C2OCCO2)NC4=CC3=C(N(C)CCC3)C=C4,HKWCJJFVBFHRFZ-UHFFFAOYSA-N
|
| 42729 |
+
1E3658F50A1A18AC_3AF3686D4477A028_6029_UN,N(C1=CC2=C(N=C1)OCC2)[S](C3=CC=CC4=C3C=C(C)O4)(=O)=O,HWXYFIFMOBGCEZ-UHFFFAOYSA-N
|
| 42730 |
+
20B8D8A5E730F6D4_ED9008D455146EDE_6041_UN,C[N]1N=CC2=C1C=C(C=C2)N[C@H]3[C@@]4(CCC3)OCCC4,HMOMRSQDCQIRJB-CVEARBPZSA-N
|
| 42731 |
+
22759927A2B646B5_B94FAC07D588F00D_6041_UN,C[N]1C(=CC2=C1C=CC=C2)NC4=C(C=C3OCCCOC3=C4)[N](=O)=O,YOWBLZXZZUXVTD-UHFFFAOYSA-N
|
| 42732 |
+
236820B4310D2C20_479429135B82779D_7022_DP,CN(C)CC1=C(C=CC(=C1)NC2CCCC23CNC3)F,FUIUYUOKTDKIKJ-UHFFFAOYSA-N
|
| 42733 |
+
25DE6546A8F929B4_BD919F4C5D4703B4_6029_UN,N(C1=C(C=CC(=C1)F)O)[S](C2=C(C=C(OC)C=C2)CC#N)(=O)=O,UUKIKAJRNOYCQB-UHFFFAOYSA-N
|
| 42734 |
+
2AB154E9D1C68664_46D4A9C1DAED4FE7_6031_UN,O(C(=O)C1(CCCCC1)C2=C(C=C(C=C2)Cl)Cl)CC3C(=C3C)[Si](C)(C)C,GPSDTSNGUCVRAG-UHFFFAOYSA-N
|
| 42735 |
+
2B9E3B5D6D134478_1922341A1662350F_7019_UN,COC1=CC(=CC(=C1)C=CC2=CC3=C(C=C2)OCCC3)[N](=O)=O,LNBFCADLKYGRRC-UHFFFAOYSA-N
|
| 42736 |
+
2C8741DF836AF035_08F89B28131AE4BC_6034_UN,NCC1=CC2=C(C=C1)C(=O)C=CN2CC3NCC=CC3,XPZJMMNMDKGBBD-UHFFFAOYSA-N
|
| 42737 |
+
2D2F46B201CE8620_98E3255A02291750_6041_DP,C[N]1N=NC2=C1C(=CC=C2)NC3CNCC34CCOCC4,YWQIFKXZJSTJRV-UHFFFAOYSA-N
|
| 42738 |
+
2FEE425F51789AF7_182E12B2F555C7F5_7022_UN,C1(=CN=C(C=C1)[N](=O)=O)NC2=C(C=C(CC)C=C2)C#N,MXSYLBGODUNGFG-UHFFFAOYSA-N
|
| 42739 |
+
32FC8C64EA13F2E9_71CBBFDEFB3C99EC_6038_UN,N(C1C2CC3CC1CC(C2)(F)C3)C(CN[S](NC)(=O)=O)=O,UAGVTYYQRBKJQS-UHFFFAOYSA-N
|
| 42740 |
+
335CE15293FDDDF8_80C1C8A051FB8398_6034_DP,BrC1=CC(=CC=C1)N2C=CN(C2=O)CC4=CC3CCC(N3)C4,UMQQBIJUQYADCE-UHFFFAOYSA-N
|
| 42741 |
+
33727E777ADBD68F_A168D33728DD981D_6043_DP,[NH]1C=C(C2=C1C=CC=C2C#N)N[S](C3=C(C=C(OC)C=C3)C)(=O)=O,PCIYHCVJSQPVQH-UHFFFAOYSA-N
|
| 42742 |
+
33E69A1D5D4766AA_199CB2AF013F725E_6026_UN,FC1=CC(=C(C=C1)[S](=O)(=O)NC2=CC(=C(CC)C=C2)OC)C#N,DWLSXFKZNGYKKK-UHFFFAOYSA-N
|
| 42743 |
+
34009EB98B1F5737_CF597CCFF641D83E_6041_UN,FC2=C1[NH]C=CC1=CC=C2NC[C@@H]3COC[C@H]3N(C)C,FQADCUCLAVXXFY-DGCLKSJQSA-N
|
| 42744 |
+
3480EB9A9DE9C5CF_6E8E0FA4BD7E349E_6035_UN,O([C@H]1[C@@H](CNC1)C2=CC=CC=C2)C4=C3C=CC=CC3=C(N)C=C4Cl,BHACHYXGIOKSNY-QFBILLFUSA-N
|
| 42745 |
+
35E842CA761662F6_76333210FD29AA9B_6041_UN,C1(=CC2=C(C=C1)OC(C2)C3OCCO3)NC4=C(N(C)C)C=CC(=C4)F,MTCRZLMYTXVZHC-UHFFFAOYSA-N
|
| 42746 |
+
361CEC3E66B0148F_2B310D2AE4E0C160_6041_UN,C1(=CC=C(C=C1)C2OCCCO2)NC3=CC(=C(N(C)C)C=C3)C,FNFZLIRXFZMNQF-UHFFFAOYSA-N
|
| 42747 |
+
36FDDD091B5F7D42_683E5083CDFD629B_6035_UN,CC3(C)[C@H]4CC(OC1=CC(=CC=C1)C2CNCCO2)C[C@@H]34,ZLVCFGDCQJZKFS-HPZPOOBXSA-N
|
| 42748 |
+
382E872D13827119_9E8F2EC741A66F82_6034_UN,COC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)C[C@@H]4COC(C)(C)O4,ACWNURCEZGVFOF-MRXNPFEDSA-N
|
| 42749 |
+
39BBB34AAAA6BF78_D2A2A22E9752F46D_6035_DP,CN(C)[C@H]1C[C@@H](CC1)OC2=CC3=C(C=C2)CNCCO3,XUJQRSHFDQXEAI-ZIAGYGMSSA-N
|
| 42750 |
+
3B5A1A645BC5A434_6E67CADFFA1B3CD0_6029_UN,COC1=C(C(=CC(=C1)CN[S](C2=C(C=C(OC)C=C2)F)(=O)=O)CC=C)OC,ONVRRKCOTXPUAI-UHFFFAOYSA-N
|
| 42751 |
+
3B9F933BCF6C6642_E7E1E1ED715E7A6D_6035_UN,CC3(C)[C@@H](OC1=CC=C(C=C1)C2CCOC2)[C@H]4CCCN[C@@H]34,JRMGIXUOKZUCOL-ONQFOCNCSA-N
|
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BACE5178EEBC04C8_D75BDA660B02F387_6034_DP,ClC1=CC(=CC=C1)N2C=CN(C2=O)CC4=CC3CCC(N3)C4,PJGUFLROVXKFMK-UHFFFAOYSA-N
|
| 42836 |
+
BB3D4D30258FD464_3FECE97910214E14_6041_UN,C1(=CC(=CC=C1)C2OCCCO2)NC3=CC=CC(=C3C)N(C)C,APMZELPDCRMMCZ-UHFFFAOYSA-N
|
| 42837 |
+
BEE294560D87D8CF_565193F6654500AF_6026_UN,FC1=CC(=C(C=C1)[S](=O)(=O)NC2=CC(=C(C=C2)OC)COC)C#N,GZITVSGSUZYIGB-UHFFFAOYSA-N
|
| 42838 |
+
BF00C088B8C3A055_6D100E2EE95D236A_6041_UN,C[S](=O)(=O)OCC1=CC(=C(C=C1)NC2=C(C=C(OC)C=C2)C)F,XRDWNYFRWFHULL-UHFFFAOYSA-N
|
| 42839 |
+
C08AAD9F44BC209E_325E44CA0AD3141D_6041_UN,C[N+]1=C(C=CC=C1)NC3=C(C=C2OCCCC2=C3)[N](=O)=O,MAQGBRPZCUZMFW-UHFFFAOYSA-O
|
| 42840 |
+
C24F00D8CA7B2804_18CAB1EA433A7927_6041_UN,O=[N](=O)C1=CC=C(S1)NC3=C(C=C2OCCCOC2=C3)S,LHVKNMNXKIHKBY-UHFFFAOYSA-N
|
| 42841 |
+
C24F00D8CA7B2804_2D7FD12E6F0638EF_6041_UN,O=[N](=O)C1=CC=C(S1)NC3=C(C=C2OCCCOC2=C3)S,LHVKNMNXKIHKBY-UHFFFAOYSA-N
|
| 42842 |
+
C24F00D8CA7B2804_C19E629512E1AFA9_6041_UN,O=[N](=O)C1=CC=C(S1)NC3=C(C=C2OCCCOC2=C3)S,LHVKNMNXKIHKBY-UHFFFAOYSA-N
|
| 42843 |
+
C2C03BAA0CE8084F_FC2E2ADC54153116_6038_UN,N(C1CC2CCC(C1)S2)C(C3=CC(=C(C=C3)F)CC)=O,GTYVBCDIDXQFLB-UHFFFAOYSA-N
|
| 42844 |
+
C5B3E92F3BA4959F_8D7416F51593C44B_7019_DP,C(C(=O)NC1=CC(=C(C=C1)Cl)Cl)=CC2C3CCCC2CN3,XSGPAEVPAUHCRR-UHFFFAOYSA-N
|
| 42845 |
+
C5C1E8EC18C29D18_2817969AC0902B20_6034_DP,N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC4=C(N)C=CC=C4I,KZERBWKFEZXOQK-UHFFFAOYSA-N
|
| 42846 |
+
C62D3B7DB116C621_EA38BBBA867C977E_6038_DP,N4CCOC1=C(C=CC(=C1)OC(=O)CC2=CC3=C(C=C2)OCCO3)C4,HTUBPQMZOGNRCL-UHFFFAOYSA-N
|
| 42847 |
+
C6AB84D5EDD5270C_86338F656D947C7D_6035_DP,CC3(C)[C@H]4CC(OC1=CC2=C(C=C1)CNCCO2)C[C@@H]34,ZSYATHIMJIWRJJ-GOOCMWNKSA-N
|
| 42848 |
+
C6AB8AD964979DAC_2DB25F80A1C7E406_6035_UN,COC1=CC(=C(C=C1)C(OC2=C(C=C(OC)C=C2)[S](=O)(=O)Cl)C3CC3)C,YHOVXQUWBRDXHR-UHFFFAOYSA-N
|
| 42849 |
+
C6D19DA1C9E41009_A81B695B8ECD8455_6026_UN,CCN1C(=O)OC2=C1C=CC(=C2)[S](=O)(=O)NC3=CC=CC4=C3C=C(OC)C=C4,JVWXRCSQTMRXAA-UHFFFAOYSA-N
|
| 42850 |
+
C7DAD4109B12AD56_54E2DC10B9A68509_6039_UN,CC4(C)COC3(C[C@@H]2CC(OCC1=COC=C1)C[C@@H]2C3)OC4,MZTUTXJUJHRQAV-XYPWUTKMSA-N
|
| 42851 |
+
C7DAD4109B12AD56_57AB1A3B6280F179_6039_UN,CC4(C)COC3(C[C@@H]2CC(OCC1=COC=C1)C[C@@H]2C3)OC4,MZTUTXJUJHRQAV-XYPWUTKMSA-N
|
| 42852 |
+
C94E7F7CCF07C953_6D8A12641EA04D38_7019_UN,CSCC3(C=CC1=C(O)C=CC2=C1OCO2)CCOCC3,OVBHWLWPCWJVIH-UHFFFAOYSA-N
|
| 42853 |
+
CB6D83BCE9EF45B9_EB6F059B6A2E4CBC_6041_UN,C1(=CC=C(C=C1)C2OCCO2)N[C@@H]3COC[C@H]3N(C)C,XSHCQQIIGUHLIM-ZIAGYGMSSA-N
|
| 42854 |
+
CBA7A4186FA74825_D5430623F209058C_6026_DP,[NH]1C(=CC2=C1C=CC=C2)[S](=O)(=O)N[C@H]3CCOC4=C3C=C(OC)C=C4,UTINQJGRZCMDLF-INIZCTEOSA-N
|
| 42855 |
+
CC075922E4BACCD9_8D4787A76FEC5E92_7019_UN,COC1=C(C=CC(=C1)C=CC2=CC3=C(C=C2)OCCC3)[N](=O)=O,IBDPFTFPJIOJOC-UHFFFAOYSA-N
|
| 42856 |
+
CCA404A56D2ABF46_8DFB02D3E3A35177_6041_UN,FC1=C(SC=C1)NC3=C(C=C2OCCOC2=C3)[N](=O)=O,LTAPPGAMXVUFRS-UHFFFAOYSA-N
|
| 42857 |
+
CCA9E4DB1DDE55F6_8C7113E76784221D_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=C(N(C)C)C=CC(=C3)F,FVYRCMNVXOONJL-UHFFFAOYSA-N
|
| 42858 |
+
CD36970C4D11428F_7627FE0EB6E2E81D_6041_UN,FC2=C(C=C1C=COC1=C2)NC[C@@H]3COC[C@H]3N(C)C,YWKDKNZKEDSNDN-BXUZGUMPSA-N
|
| 42859 |
+
CDB8A4A61EE6D5DB_32E975F9E9B6384C_6026_UN,CC1=C(C(=CC=C1)[S](=O)(=O)N2C3CCCC2CC(=C)C3)Br,ZRBUNACZCKHNOE-UHFFFAOYSA-N
|
| 42860 |
+
CF7D4FA7C5EC4966_8509DDD3DF19897D_6035_UN,CC(C)(C)[C@H]1[C@@H](CNCC1)OC2=C(C=C(CCNC)C=C2)Br,HGCPIPTYWAGEJV-RHSMWYFYSA-N
|
| 42861 |
+
D5F88B49EC3549D9_201A7EFFC60A25FC_6026_UN,COC1=C(C=C(C(=C1)[S](=O)(=O)NC2=CC=C(CSC)C=C2)OC)Cl,DWFKIMPHKVWACB-UHFFFAOYSA-N
|
| 42862 |
+
D7386D37FFBB1CF2_721145DBD25FC59E_6038_DP,N1[C@@H]4CC[C@H]1[C@@H](NC(=O)C3=CC2=C(C(=CC=C2F)F)[NH]3)C4,QTUINHHQDOTAHP-MKCWBWRRSA-N
|
| 42863 |
+
D7A9CA150B23C2FF_01236940924AF79A_6026_DP,COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)N4C3=C(C=C(OC)C=C3)SC4,VBPAELFIJRQAIR-UHFFFAOYSA-N
|
| 42864 |
+
D853C91AF83CC818_96628A377DB23447_6041_UN,C1(=CC2=C(C=C1)OCCO2)NC3=CC=CC(=C3)N(C)C,UOJITKHGVXRDIM-UHFFFAOYSA-N
|
| 42865 |
+
D853C91AF83CC818_A45FEA024D79F767_6041_UN,C1(=CC2=C(C=C1)OCCO2)NC3=CC=CC(=C3)N(C)C,UOJITKHGVXRDIM-UHFFFAOYSA-N
|
| 42866 |
+
E08DA59ACEC84C33_6BE9ABEEF3622EEF_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NCCC2=C(C=C(OC)C=C2)OC)Cl,QZDFDQLILUYMHV-UHFFFAOYSA-N
|
| 42867 |
+
E0AE616CC9BAE206_D5117DCAFC846DD4_6026_UN,CCCC1=CC=C(S1)[S](=O)(=O)NCC2=CC(=NC=C2)C#N,MLUJDYVUBDITGN-UHFFFAOYSA-N
|
| 42868 |
+
E0C31DB3F1C27818_546FEF51876C9A67_6043_UN,FC1=CC(=C(C=C1)C=C)N[S](C2=CC(=C(OC)C=C2)OC)(=O)=O,MPZWQAHOSZAIHY-UHFFFAOYSA-N
|
| 42869 |
+
E0C8B36013FE7448_5D289B8E7150E70B_6034_DP,BrC1=CC=C(C=C1)N2C=CN(C2=O)CC45OC3(CNC3)C(C4)(N)C5,NVSYMEYVSMUYRN-UHFFFAOYSA-N
|
| 42870 |
+
E3EE4FC7F95CD3FA_1DA44BE058D02FBD_6041_UN,C1(=CC2=C(C=C1)OCCC2)NCC3(N(C)C)CCOCC3,JZXMDKNDTJLWER-UHFFFAOYSA-N
|
| 42871 |
+
E3EE4FC7F95CD3FA_C0E5101E6AE41B16_7022_UN,C1(=CC2=C(C=C1)OCCC2)NCC3(N(C)C)CCOCC3,JZXMDKNDTJLWER-UHFFFAOYSA-N
|
| 42872 |
+
E658088905CF1D79_4A5F9D8B7C281539_6041_DP,C[N]1N=CC2=C1C=C(C=C2)NC3CNCC34CCOCC4,ZPQMOZNFEQHAJQ-UHFFFAOYSA-N
|
| 42873 |
+
E7FF18CC78CD5D0C_15836CB5D8AC7E79_7022_DP,CN(C)CC1=C(C=C(C=C1)NC2CNCC3(C2)CC3)F,LDZOANZGTBDWAQ-UHFFFAOYSA-N
|
| 42874 |
+
EAFEACCDE487BA35_6175CEF36936AC89_6039_UN,CC(=C)[C@H]1CCC(=CC1)COCC3COC2(CCCCC2)O3,MLNPYNTUIGQXRV-QNSVNVJESA-N
|
| 42875 |
+
EDED6F41B778DDCA_5A492106F17F330F_7022_DP,CN(C)CC1=C(C=C(C=C1)NCC3CC2(CNC2)C3)F,ZAULYYFXAGOWFB-UHFFFAOYSA-N
|
| 42876 |
+
EE9B6113DECAE629_3939C794B1B459F5_6029_UN,COC1=C(C=C(C(=C1)F)CN[S](C2=C(C=CC(=C2)OC)CBr)(=O)=O)OC,SYSPKPCQIZZPDA-UHFFFAOYSA-N
|
| 42877 |
+
EEA38ADBB328178B_C5475E3F1E5A3644_6026_UN,CCC1=C(C=CC(=C1)[S](=O)(=O)NCCC2=C(C=C(OC)C=C2)OC)Br,FJCGAZQYABGJLZ-UHFFFAOYSA-N
|
| 42878 |
+
F00A759CCA106CB3_D905D8C4723B3D55_6034_DP,COC2=C1C=C[N](C1=CC=C2)CC45OC3(CCNCC3)C(C4)(N)C5,YWRVEDLPUDQESX-UHFFFAOYSA-N
|
| 42879 |
+
F26093D99BAF8CCA_86DDD754D07D4F23_6035_DP,N1CC3(C1)OC4(COC2=CC(=C(C)C=C2)Cl)CC3(N)C4,NNMQZPQVEMOVKF-UHFFFAOYSA-N
|
| 42880 |
+
F34A4B03D42F0DA1_CDA9A16C0941FF89_6028_UN,COC1=CC(=C(C(=C1)OC)CN[S](C2=C(C=CC(=C2)Cl)Br)(=O)=O)OC,ZHFZJQXLKXNFKY-UHFFFAOYSA-N
|
| 42881 |
+
F3DE7CB6C658288A_48D68FB457FB5D0A_6026_UN,FC1(F)CC1C2=C(C=CC=C2)[S](=O)(=O)NC3=C(C=CC(=C3)OC)C,PFYDBBZZYJIAJL-UHFFFAOYSA-N
|
| 42882 |
+
F42CCEF8B41C895B_52023E8CE39FF913_6026_DP,[NH]1C(=CC2=C1C=CC=C2)[S](=O)(=O)NCC3=CC(=CC(=C3)OC)F,LZLBMORARJIUJE-UHFFFAOYSA-N
|
| 42883 |
+
F571516DF4B94C8E_A679167EBD0CB7F1_6041_UN,COC1=CC2=C(C=C1)C=C(N=C2)NC4=C(C=C3OCCCOC3=C4)[N](=O)=O,ZQFHNWQWSBOADE-UHFFFAOYSA-N
|
| 42884 |
+
F5BC668336F9CB39_3FF209DABED78651_6026_UN,FC1(F)CC1C2=CC=C(C=C2)[S](=O)(=O)NC3=C(C=CC(=C3)OC)Cl,TZVHWVHAEUSGGA-UHFFFAOYSA-N
|
| 42885 |
+
F5FE07AD0D9DFF76_0AA900E4F8CDF073_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=CC=CC(=C3)CN(C)C,ZOPLSWJCOZXPSS-UHFFFAOYSA-N
|
| 42886 |
+
F6B70B298B8BBF13_31D8018C07C3EE04_6026_UN,COCC1=CC=C(C=C1)[S](=O)(=O)NC2=C(C=C(OC)C=C2)C(F)(F)F,KLHZENNKMOOZJS-UHFFFAOYSA-N
|
| 42887 |
+
F87F108504A32928_8192AF46AF44089A_6041_UN,C1(=CC(=CC=C1)C2OCCCO2)NC3=C(N(C)C)C=CC=C3,PQOOOCRRYCTUJP-UHFFFAOYSA-N
|
| 42888 |
+
FBF9010522145C8C_C59F7CF91BD1CD78_6035_UN,CN(C)[C@@H]1CNC[C@H]1OC2=CC4=C(C=C2)OC3(CCCC3)O4,ZWFBYUJBSIZBAC-CZUORRHYSA-N
|
| 42889 |
+
FDFE785208E41D78_1CEB358E663FB322_6041_UN,COC2=C1C=NC=CC1=CC=C2NC4=C(C=C3OCCCOC3=C4)[N](=O)=O,JXZOZDOKKBEHAK-UHFFFAOYSA-N
|
| 42890 |
+
rxn:2:100869:141384,CN(C)CC1(CNC2CCCC(N(C)C)C2)CCCC1,FNPBNIMLFBVZHZ-UHFFFAOYSA-N
|
| 42891 |
+
rxn:2:102829:138688,CN(C)C[C@@H]1COC[C@H]1NC1CC2CC1C1CCCC21,UVMBSTJQIXVFQZ-DYCMPXMBSA-N
|
| 42892 |
+
rxn:2:105859:126065,CN(CCNC1CCC(F)C2CCC12)CC1CCOCO1,SFGREPJSMOXTSL-UHFFFAOYSA-N
|
| 42893 |
+
rxn:2:106465:120189,CCCCC1CC(N[C@H]2CCC[C@@H]2N(C)C)C12CCC2,JCUZRGRIIZPRSO-YZUHTNEWSA-N
|
| 42894 |
+
rxn:2:106465:138252,CCN(C)C1CCCCCC1N[C@H]1CCC[C@@H]1N(C)C,JAKQNWXMVYHZMX-SOEBMCCKSA-N
|
| 42895 |
+
rxn:2:109503:132904,CN(C)CCCN1CCC(NC2CCO2)C2CCCCC21,VPYUBISZHAETDI-UHFFFAOYSA-N
|
| 42896 |
+
rxn:2:111089:135101,CN(C)CC1CCCC(N[C@H]2CCCC[C@@H]2N(C)C)C1,TXDWYMVOXLNAIF-GQGLESIBSA-N
|
| 42897 |
+
rxn:2:116028:120820,C[C@H]1C[C@H](NC2CCCCCC2CN(C)CC2CC2)CN1C,PLYQVRPYTAISOP-BARLLCKDSA-N
|
| 42898 |
+
rxn:2:117113:135101,CN(C)CC1CCCCC1N[C@H]1CCCC[C@@H]1N(C)C,YKXBMHVPYVJMKP-GQGLESIBSA-N
|
| 42899 |
+
rxn:2:118222:138252,CCN(C)C1CCCCCC1Nc1cc(C2CCCCCC2)nn1C,FPDWNDYFCDOVIV-UHFFFAOYSA-N
|
| 42900 |
+
rxn:2:118683:131521,CC1CN(CCNC2CCCCC2C2COC2)CC(C)N1C,VOXISNSTNSWPGY-UHFFFAOYSA-N
|
| 42901 |
+
rxn:2:119746:138382,CC1CC(NCCCN2CCOCC3CCCC32)CCN1C,QIHSKPVXTKBUAO-UHFFFAOYSA-N
|
| 42902 |
+
rxn:2:123455:141471,CC1CCCC(CNCCN2CC3COCC3C2)N1C,JUXSISGLVJOPTP-UHFFFAOYSA-N
|
| 42903 |
+
rxn:2:124110:140330,CN1CC[C@H](N(C)CCNC2CCSC3(COC3)C2)C1,CNUGYLLEHTWJPK-KZUDCZAMSA-N
|
| 42904 |
+
rxn:2:126228:131521,CC1CN(CCNC2CCC(C3COC3)CC2)CC(C)N1C,QCBUYOJHWGLRJJ-UHFFFAOYSA-N
|
| 42905 |
+
rxn:2:132904:140566,CN(C)CCCN1CCC(NC2CCCCO2)C2CCCCC21,RJJVNLOBHAFSTN-UHFFFAOYSA-N
|
| 42906 |
+
rxn:2:135101:132988,CN(C)C1CCCC(N[C@H]2CCCC[C@@H]2N(C)C)CC1,BPWHOWFTOOXFQA-GQGLESIBSA-N
|
| 42907 |
+
rxn:2:138252:135101,CCN(C)C1CCCCCC1N[C@H]1CCCC[C@@H]1N(C)C,GUQKXEQJPBXGMM-NALMEZQBSA-N
|
| 42908 |
+
rxn:2:67358:86382,CN(C)C[C@@H](NC1CCCCC1N(C)C)C1CCCCC1,FTYPEWBRNRFIJZ-LXPRWKDFSA-N
|
| 42909 |
+
rxn:2:69267:131521,CC1CN(CCNC2CCOC3(CCCC3)C2)CC(C)N1C,LXKJOANHZAPJOA-UHFFFAOYSA-N
|
| 42910 |
+
rxn:2:69351:88365,CC1CCCCC1N(C)CCCNC1CCOCC12CC2,ZKSAJQSETNJWSJ-UHFFFAOYSA-N
|
| 42911 |
+
rxn:2:70216:103805,CN(CCNC1CC2CCCC1N2C)C1CCCCCC1,PTVRONQXTHZGJF-UHFFFAOYSA-N
|
| 42912 |
+
rxn:2:71821:132904,CN(C)CCCN1CCC(NC2CCCO2)C2CCCCC21,CMUMGZVXLKXZGU-UHFFFAOYSA-N
|
| 42913 |
+
rxn:2:72920:135101,CN(C)C[C@@H]1CCCCC1N[C@H]1CCCC[C@@H]1N(C)C,YKXBMHVPYVJMKP-VCAIXKDPSA-N
|
| 42914 |
+
rxn:2:75326:101707,CN1CCC[C@H](N(C)CCNC2CCSC3(CCC3)C2)C1,LLZDCRKGLQCQQR-LYKKTTPLSA-N
|
| 42915 |
+
rxn:2:77056:131105,CN(C)C[C@@H]1CCC[C@@H]1NC1CCN(C)C2CCCCC12,QRZQDMSIFOITRF-DVCYZQMISA-N
|
| 42916 |
+
rxn:2:77056:138252,CCN(C)C1CCCCCC1N[C@H]1CCC[C@H]1CN(C)C,SJWQMXZJIOALMN-VYMRPNJYSA-N
|
| 42917 |
+
rxn:2:81805:110292,CCC(CN(C)C1CCCN(C)C1)N[C@H]1CC[C@@H]2CCC[C@@H]21,WSHLKZRSLRCWHT-HJTRDACESA-N
|
| 42918 |
+
rxn:2:84081:132215,CC1CC(NCCCN2CCC3COCC3C2)CN1C,LPDVQXXNGDFPPC-UHFFFAOYSA-N
|
| 42919 |
+
rxn:2:84577:94584,CN(CC1CC1)CC1CCCCC1N[C@H]1CC[C@@H]1N(C)C,SZPVVPFVTQTPQM-FOIPXRHGSA-N
|
| 42920 |
+
rxn:2:85590:116276,CN(C)[C@@]1(C)CCC[C@@H]1NC1CC(CN2CCCC2)C1,RPVYNELMFBGXEH-GQGLESIBSA-N
|
| 42921 |
+
rxn:2:86453:109704,CN(C)C1CCCN(CCNC2CC(C)(C)C23CCC3)C1,IWEMUMIEXQKCOT-UHFFFAOYSA-N
|
| 42922 |
+
rxn:2:88365:108825,CC1CCCCC1N(C)CCCNC1COC2(COC2)C1,GQNCVPYNPNLGTP-UHFFFAOYSA-N
|
| 42923 |
+
rxn:2:88365:121424,CC1CCCCC1N(C)CCCNC1CC2(CCOCC2)C1,YCXXIVSVZWPRSY-UHFFFAOYSA-N
|
| 42924 |
+
rxn:2:88365:122159,CC1CCCCC1N(C)CCCNC1CCOC2CCCCC12,DQQWTBXOMXHJFP-UHFFFAOYSA-N
|
| 42925 |
+
rxn:2:88365:125698,CC1CCCCC1N(C)CCCNC1CCCOC12CCC2,GVNBQYIQNMTNPO-UHFFFAOYSA-N
|
| 42926 |
+
rxn:2:88365:134994,CC1CCCCC1N(C)CCCNC1CCC12COC2,PMCXNFAXZNEWLE-UHFFFAOYSA-N
|
| 42927 |
+
rxn:2:88365:91159,CC1CCCCC1N(C)CCCNC1CC2(CCOC2)C1,XIMQFWAMVJFHPY-UHFFFAOYSA-N
|
| 42928 |
+
rxn:2:88970:139276,CN(C)CC1CCCC1NCCN1CCOCC2CCCC21,HGYFRQWTYKPFRG-UHFFFAOYSA-N
|
| 42929 |
+
rxn:2:89164:125636,CCC1CCCCCC1NCCN(C)C[C@@H]1CCCN1C,UWTVSOOKGHEHIW-ADKAHSJRSA-N
|
| 42930 |
+
rxn:2:89244:132988,CCN(C)C1(CNC2CCCC(N(C)C)CC2)CCCCC1,QLTUQMLDZNIFKJ-UHFFFAOYSA-N
|
| 42931 |
+
rxn:2:92001:94145,CN(C)[C@H]1CCCC[C@H]1CNC1CCC(C)(C)C2CC12,LHMUZDMUUDDDFU-VGGKZCFMSA-N
|
| 42932 |
+
rxn:2:94145:104325,CCC1CCC(NC[C@@H]2CCCC[C@@H]2N(C)C)C(F)C1,XASPFBSEDGWBKS-WERHSETGSA-N
|
| 42933 |
+
rxn:2:94145:105660,CCCN(C)C1CCCCC1NC[C@@H]1CCCC[C@@H]1N(C)C,BBWRIOKCCNNVQT-BMHOQUIDSA-N
|
| 42934 |
+
rxn:2:96294:119097,C[C@H]1CCC(NCCN2CCC3COCC3C2)CN1C,WDEYDMTWKQDHAT-CUUNVARJSA-N
|
| 42935 |
+
rxn:2:96455:119097,CCC1CCCC(CNCCN2CCC3COCC3C2)N1C,MEEXBCAXPYLZMN-UHFFFAOYSA-N
|
| 42936 |
+
rxn:2:96455:123455,CCC1CCCC(CNCCN2CC3COCC3C2)N1C,UYIINXJIQQFMHB-UHFFFAOYSA-N
|
| 42937 |
+
rxn:2:96455:138382,CCC1CCCC(CNCCCN2CCOCC3CCCC32)N1C,NBMVHGZJBZLHBZ-UHFFFAOYSA-N
|
| 42938 |
+
rxn:2:99409:98389,CC1CN(CCNC2COC3CCCOC3C2)CCN1C,ATNLQLMDUMQGJJ-UHFFFAOYSA-N
|