urdof7 commited on
Commit
b058dc1
·
verified ·
1 Parent(s): abc44c2

Added 240 molecules from epoch 16745 for P31645

Browse files
Files changed (1) hide show
  1. P31645_molecules.csv +240 -0
P31645_molecules.csv CHANGED
@@ -41886,3 +41886,243 @@ rxn:2:84826:101379,COc1ccnc2c(NC3C4(N5CCOCC5)OCC5(C)C4CCC35C)c[nH]c12,QJPJNBLRPW
41886
  rxn:2:84826:80856,COc1c[nH]c2c(NC3C4(N5CCOCC5)OCC5(C)C4CCC35C)cccc12,JOFGWNPUCZJVSL-UHFFFAOYSA-N
41887
  rxn:2:88457:84473,COc1cc(C2CC2CCNC2CCc3cccc(OC4CCCCC4)c32)cc2c1OCO2,SVVVFBSZBIAGED-UHFFFAOYSA-N
41888
  rxn:2:93658:112299,COc1ccc2c(c1)C(NC(CN1CCCC1)c1ccc3c(c1)OCO3)CC1(CCCC1)O2,QEGBVFCELKIXHK-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
41886
  rxn:2:84826:80856,COc1c[nH]c2c(NC3C4(N5CCOCC5)OCC5(C)C4CCC35C)cccc12,JOFGWNPUCZJVSL-UHFFFAOYSA-N
41887
  rxn:2:88457:84473,COc1cc(C2CC2CCNC2CCc3cccc(OC4CCCCC4)c32)cc2c1OCO2,SVVVFBSZBIAGED-UHFFFAOYSA-N
41888
  rxn:2:93658:112299,COc1ccc2c(c1)C(NC(CN1CCCC1)c1ccc3c(c1)OCO3)CC1(CCCC1)O2,QEGBVFCELKIXHK-UHFFFAOYSA-N
41889
+ 0083E5F92E2B0E55_AA88013FE04ABC04_6041_UN,C[S](=O)(=O)C1=CC=C(S1)NC2=C(OCCCC)C=CC(=C2)OC,BWKLMPAFMRHHMN-UHFFFAOYSA-N
41890
+ 0848FE083BA9E3B5_5B29FEB671C1B5BE_6041_UN,COC1=C(C=C(C=C1)[N](=O)=O)NCC2=CC=CC(=C2)OCCCOC,YWHKPYALKLIIKF-UHFFFAOYSA-N
41891
+ 0C1A6C5CB4FB2AD1_F6A0B2780A20A971_6041_UN,CC1=C(C(=C(C=C1)NCC2=CC(=C(C=C2)[N](=O)=O)F)C)C(=O)O,UKWWMDXECXZYKR-UHFFFAOYSA-N
41892
+ 0D59CB6F583F6601_97E8A4361DCB30B8_6038_UN,CC1=CC(=C(C=C1)[N](=O)=O)NC(CCCCC2=CC(=C(OC)C=C2)OC)=O,VKGFGYHRIVCQIZ-UHFFFAOYSA-N
41893
+ 0FABF544F1433F14_BDE7D9D708F68B67_6031_DP,CN(C)C1(CC2=C(OC1)C=CC=C2)C(=O)OCC3C(CCNC3)(F)F,LAKDPPUTANDVJJ-UHFFFAOYSA-N
41894
+ 11D60C3C1286BCB9_1107DC131FC9787D_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC=CC(=C2)OCCOC,ZOKMJRUKIMWNSF-UHFFFAOYSA-N
41895
+ 11D60C3C1286BCB9_92BCD663BD99FF26_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC=CC(=C2)OCCOC,ZOKMJRUKIMWNSF-UHFFFAOYSA-N
41896
+ 12C7BCD9E1D7538B_58709A84873C591A_6041_UN,COC1=C(C(=CC=C1)[N](=O)=O)NCCCOC2=CC=CC(=C2)OC,JYXASDODUBOQCV-UHFFFAOYSA-N
41897
+ 12FCFBBAD1DED7EA_CE70ED3A5E9F3ABF_6031_UN,O(C(=O)C1C2=C(CCN1)C=C(C=C2)Br)CC3CC4CC3C=C4,MCTNVQAKDCVPEC-UHFFFAOYSA-N
41898
+ 14DD18D01EC0D03F_B21F7C83F4B53A94_6034_DP,N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC4=CC(=CC=C4)I,UMDQFJFMKPKUDW-UHFFFAOYSA-N
41899
+ 1538C6C540CECE02_BD647191759276FF_6026_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N2CC4=C(C3CC2CC3)C=CC=C4)CCl,YEBMWOWCVBTKAY-UHFFFAOYSA-N
41900
+ 17529EF066F1BA5A_1D292D13C8237015_7017_DP,N4([S](=O)(=O)C1=C(C=C(C(=C1)Cl)O)Cl)C3(CC2CCCC(N2)C3)C4,XMDHQDTXGFUTQN-UHFFFAOYSA-N
41901
+ 17973B3537E4E0FC_D49DFC08260DADED_6029_UN,COC1=C(C(=CC=C1)CN[S](C2=C(C=CC(=C2)OC)F)(=O)=O)C,OIBYAFSNCPRMHO-UHFFFAOYSA-N
41902
+ 1D2948AB393B2A6A_A01DED00B355AA27_7019_UN,CC3(C=CC1=CC=CC(=C1)C2=C(F)C=CC=C2)COC3,HJUDLGUDAQSBMJ-UHFFFAOYSA-N
41903
+ 1D5DAD3D8098BCF0_4672A36DCFA349B6_6038_UN,N(CCCC1=CON=C1)C(C2=C(N(C)CC=C)C=CC(=C2)[S](=O)(=O)N)=O,UAKWDSQCPUQDNB-UHFFFAOYSA-N
41904
+ 233936B1824096EE_4C09E3391F547525_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCCC2=CC=CC(=C2)OC,MRLLDKCONMKODU-UHFFFAOYSA-N
41905
+ 24D74C8C5A3D500B_BC9D9AEE9A5BD017_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NC2=CN=C(OCCOC)C=C2,DWLHVWIGHQMXOQ-UHFFFAOYSA-N
41906
+ 2746876C2A226F57_0533E292F0C077A7_6034_DP,N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC4=CC=C(C=C4)Cl,MTTMMXKVEFCDHD-UHFFFAOYSA-N
41907
+ 27832731086BCF4D_2312E9FC2D3B58BF_6026_UN,COC1=C(C=CS1)[S](=O)(=O)NC2=C(C=C(CCC)C=C2)C#N,NSIRTJXXIVKMCP-UHFFFAOYSA-N
41908
+ 28F0C389C0277BA7_8C31F9407034D7DD_6038_UN,CC1=C(C(=CC=C1)C(=O)N)NC(C2=CC(=C(CC)C=C2)[N](=O)=O)=O,VDXAZQZFYFGDCM-UHFFFAOYSA-N
41909
+ 2B1D31E73985DACF_46394AD165303694_6039_UN,O(C2(CC1CO1)CCOCC2)CCOCC3CCCO3,XAFPWGNWZWBQCT-UHFFFAOYSA-N
41910
+ 2C9E377F0A66B6F5_D45BF1DED848ECBD_6031_DP,O(C(=O)C#CC1=CC=C(C=C1)Br)CC3=CC2CCC(N2)C3,KXDGWAPTYDZFDN-UHFFFAOYSA-N
41911
+ 2D20FD37823C59CB_042FC72CB3C9FA04_6026_UN,FC1=C(C=CC=C1)[S](=O)(=O)N2CCCCC2C3=C(C=C(OC)C=C3)OC,GENYUBBZHAFDCM-UHFFFAOYSA-N
41912
+ 2F04F115BABE6BAB_803DE1AE40CA6573_6039_UN,O(CC2CCOC1(CCOCC1)C2)CCOCC3CCCO3,FITMJMBJQNRVJM-UHFFFAOYSA-N
41913
+ 2FE3AF94AD32703E_D2C30B73AE324D8C_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCCC2=CC(=C(C=C2)C#N)C,HUBVIQVJQAMNGT-UHFFFAOYSA-N
41914
+ 30874EC21A796732_C4DE5FF448192FA0_6031_UN,O(C(=O)C1(CC1)C2=CC=C(C=C2)Cl)CC3NC4CC3C=C4,MSZQQNXQIYAHAM-UHFFFAOYSA-N
41915
+ 310EADA243B0F2FF_ED21B2852FD56CCC_6026_UN,COC1=CC(=C(C(=C1)C)[S](=O)(=O)NC2=C(C=C(CCC)C=C2)C#N)C,KOGYTRPRLROXEI-UHFFFAOYSA-N
41916
+ 31D8B7E57E7622C6_0CCDC027F781372E_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N2CCCCC2C3=C(C=C(OC)C=C3)OC)Br,XHJHLFIXTWYFSD-UHFFFAOYSA-N
41917
+ 32B21A007726347C_8DE1AF4BD4C5DE2F_6039_UN,O(C1CCOC(C1)C2CCOCC2)CCC3CCCO3,VPNYGRAONPDDTG-UHFFFAOYSA-N
41918
+ 32B21A007726347C_D7F03601746ED2E2_6039_UN,O(C1CCOC(C1)C2CCOCC2)CCC3CCCO3,VPNYGRAONPDDTG-UHFFFAOYSA-N
41919
+ 331514C94F47FB76_5F802734D2E891C6_6041_UN,OC(=O)C1=C(C(=CC=C1)[N](=O)=O)NC2=C(CC)C=CC=C2CC,RDAUPIAZGNBEHV-UHFFFAOYSA-N
41920
+ 332173CB937A2CBC_E8C910974ED4B773_6026_UN,CN1C(=O)OC2=C1C=CC(=C2)[S](=O)(=O)NC4=C3OCCC3=CC=C4,JWQBYEKSAJSUNK-UHFFFAOYSA-N
41921
+ 3370AD7B0DE3BD89_60A21040C199FB81_6029_UN,N(CC1CC2CCC(C1)S2)[S](C3=C(OC)C=CC=C3F)(=O)=O,BTNZPTGHRYJKOX-UHFFFAOYSA-N
41922
+ 35FC82A464D34AA1_2473CC09A9FE118C_6003_DP,N1[C@H]3CC[C@@H]1C[C@@H](OC2=CC=C(C(CC)=O)C(=C2)Cl)C3,DEVHWBHAZKAVCV-PTEHBNRSSA-N
41923
+ 3731ED65097D6D2D_18CE712AC9943178_6041_UN,C1(=CC=C(C=C1)C2CCO2)NC3=C(N(C)C)C=CC(=C3)F,PYJFIXBQPZRKDF-UHFFFAOYSA-N
41924
+ 38B33B7B81CF9A19_2573C61EEFD924E2_6029_UN,COC1=C(C(=CC=C1)CCN[S](C2=C(C=C(Cl)C=C2)CBr)(=O)=O)OC,YPPUCAURNVWDAS-UHFFFAOYSA-N
41925
+ 38BCD0F50242D87F_91CA6C174C7389A1_6038_UN,N(C1C2CC3CC1CC(C2)(F)C3)C(CN[S](CC)(=O)=O)=O,FQKNSTBRYNWVDD-UHFFFAOYSA-N
41926
+ 3AFEA95EFBA04CE6_7BCF95A2F63D1D43_6038_UN,CC1=C(C(=CC=C1)[N](=O)=O)NC(C2=CC(=C(OCCCCCC)C=C2)OC)=O,KYRHGOMZEUPEFV-UHFFFAOYSA-N
41927
+ 3BE5AD1D3133AB80_B4B6AF48DF16D024_6038_UN,N(C2=C1C3CCC(C1=CC=C2)O3)C(C4=C(C(=CC(=C4)OC)Cl)F)=O,YSOXWKPBIHQKRD-UHFFFAOYSA-N
41928
+ 3ECE8D0D11C52627_252EAC7C14D6C122_6038_DP,[NH]1C=CC2=C1C(=CC=C2)SC(C[C@@H]3CC4=C(CN3)C=CC=C4)=O,RZFZJHCWTFVVST-INIZCTEOSA-N
41929
+ 3EF66C0253992EBA_2780E4204DBF93F4_6038_UN,N(CC1=CC(=C(C=C1)[N](=O)=O)F)C(C2=CN=CC(=C2)COC)=O,ARXSSPNZIDGCTQ-UHFFFAOYSA-N
41930
+ 3F4CD922381007D4_79995EDEECA90BF9_6026_DP,[S](=O)(=O)(C1=CC2=C(C=C1)C=CC=C2)N4C3(CNC3)OCC4,RNVVYQXQFABZIA-UHFFFAOYSA-N
41931
+ 3FCAC7022C44C877_6720857130B1BD4B_6038_UN,N(CCCCC1=C[NH]C2=C1C=CC=C2)C(=O)C34CN(C3)[S](C4)(=O)=O,DIHXHPIHKNDOAD-UHFFFAOYSA-N
41932
+ 40296247FCA6834E_5953EDD9129F588F_6035_UN,O(C1(CCCC1)C2=CC=CC=C2)C3=CC4=C(C(=C3)I)C=CC=C4,DPXWGQBMJAAJNP-UHFFFAOYSA-N
41933
+ 404148107F20E754_62350E711E12262A_2238_UN,NC2=C(C3=C1CCN(C(C1=C2)=O)C35CCN(CC4=CC=C(OC)C=C4)C5=O)Br,WDYZXNLGCNDNHX-UHFFFAOYSA-N
41934
+ 408603119788EEA0_0BF2B5522F7E987A_6039_UN,O(C1CCOC(C1)C2CCOCC2)CCCC3CCOC3,KDMZAGRRRUKPTF-UHFFFAOYSA-N
41935
+ 41AB8BC12E8D5D84_FDD8D7C536F72F20_6034_UN,CC1=C(C5=C(N1CC2CC3CC2C4CC34)C=CC=C5)C6=CCNCC6,GSUJLSQWAATDNO-UHFFFAOYSA-N
41936
+ 4243B288DC3EC704_39BB9D235439A0E7_6041_UN,C[N]2N=C1CCCC1=C2NC3C6C4CC7C5CC(C3C45)C67,JPIDLAXNZFYVRI-UHFFFAOYSA-N
41937
+ 4290087C97B727C5_53E4A73CCB1356FB_6003_DP,N2CC[C@@H]3CC[C@@H](OC1=CC=C(C(CC)=O)C(=C1)Cl)[C@H]2C3,YWZUUSZBMJWLOQ-UXEPBGEESA-N
41938
+ 42C0E01907DB825F_1A032DFDC970BF41_6031_DP,N1C[C@@H]2C[C@H]1[C@@H]2C(=O)OCC3=C(C=C(SCC)C=C3)Br,XERGVYLVNNDWQR-LEWSCRJBSA-N
41939
+ 436B69C23CEF15A1_FDB9665B46178086_6041_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NCCCOC2=CC=CC(=C2)OC,HUGXIKIDZCLFFH-UHFFFAOYSA-N
41940
+ 43882E6F9415EA70_30079CDAEB96ED30_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC(=C(CC)C=C2)OC,RVNHKNFQTLTNBE-UHFFFAOYSA-N
41941
+ 464731C46341191B_9B6F904B37E64E45_6035_UN,O(CC1=C(C(=CC=C1)F)I)C2=C(C3=C(C=C2)[NH]C=C3)[N](=O)=O,PEYHNQOLVZPQQS-UHFFFAOYSA-N
41942
+ 47941A436FABEAF8_C26A1A7F9309D83E_6026_UN,COC1=CC(=C(C=C1)[S](=O)(=O)NCCCC2=CSC=C2)OC,SVDMJRHXWWEMMP-UHFFFAOYSA-N
41943
+ 4A6C8B6B422302D9_73214199F5C809A1_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC(=C(OCCC)C=C2)C,ZDKACWROTZOLKC-UHFFFAOYSA-N
41944
+ 4C97CA990D1AB47B_068B8B6AD9307F07_7022_UN,C1(=CC(=C(C=C1)Cl)[N](=O)=O)NCC2=CN=C(OCC)C=C2,XPIFJESYYUVANO-UHFFFAOYSA-N
41945
+ 4DCC13E243F90863_810A749D8BF7421D_6031_DP,N1CC(F)(C1)C2=CC(=CC=C2)C(=O)OCC3CC4CC3C=C4,MEAUFVDJWTXBSL-UHFFFAOYSA-N
41946
+ 4FF56950BF95C45A_5651D3FFA502E088_6029_UN,C1N(CCC(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=CC=[N](=O)C=C4)(=O)=O,VSISBISWMIAEMG-UHFFFAOYSA-N
41947
+ 505A2C1A0704D2C3_91B0A6831F44E00E_6041_UN,C[N]1N=C(C=C1NCC(N(C)C)C2=CC=C(C=C2)F)C3CCCC3,BKHPXMCZHVOCJK-UHFFFAOYSA-N
41948
+ 50A97774342F0257_168B6E14D68C359E_6031_DP,O(C(=O)C2=C1C=CC=NC1=CC=C2Cl)CC4=CC3CCC(N3)C4,NQAYDTMICFCLJK-UHFFFAOYSA-N
41949
+ 51B4D376B85F02EB_CC4B6C86B367022B_6031_UN,O(C(=O)C1(CC1)C2=CC=C(C=C2)Br)CC3NC4CC3C=C4,LPLITDMHJGTVNL-UHFFFAOYSA-N
41950
+ 5264C7EB1786CEEC_4D8AD06AA675B356_6034_UN,CC1=C(C3=C(N1CC2(CC2)C=C)C=CC=C3)C4=CCNCC4,UBDWYCBJNGUNKV-UHFFFAOYSA-N
41951
+ 564A966083B40253_9FF600B06AA76BB5_6031_UN,O(C(=O)C1=C2C(=CC=C1)CCNC2)CC3OC4=C(NC3)C=CC=C4,VYCOBYNYAQPGDK-UHFFFAOYSA-N
41952
+ 586267328450D0BB_EF055B5C208B24BC_6029_UN,COC1=C(C=CC(=C1)CCN[S](C2=C(C=C(Cl)C=C2)CBr)(=O)=O)C,NLZKFWXDMBYHBC-UHFFFAOYSA-N
41953
+ 58CB937B88DE0A80_31FE3EC3E1A73EF2_6026_UN,FC1=CC=C(C=C1)[S](=O)(=O)N2CCCCC2C3=C(C=C(OC)C=C3)OC,YTSJPZOUZMRBRF-UHFFFAOYSA-N
41954
+ 5C8116BF210E899B_3581D791756CFD9C_6038_DP,N1C3CCC1C=C(COC(=O)C2=CC=C(C=C2)CCF)C3,WEFDZEHRIXNZBE-UHFFFAOYSA-N
41955
+ 5E746507DF1EFC97_4AA80001E4981354_6031_UN,O(C(=O)C1(CC1)C2=CC=C(C=C2)F)CC3NC4CC3C=C4,RIAMDSJFZXTRJJ-UHFFFAOYSA-N
41956
+ 5F106253D959818D_649F65D563C2AA7D_6041_UN,COC1=C(C=CC(=C1)[N](=O)=O)NC2=CC(=C(OCCC)C=C2)C,SFWDABONAOZTTA-UHFFFAOYSA-N
41957
+ 5F395FEDC35EF31C_75AEE294D5CAEB5A_6005_UN,NC1=C(C=CC(=C1)C(=O)O)C2=C(C=CC(=C2)C3(CC3)C#N)F,QOZUFOJUHPNOIE-UHFFFAOYSA-N
41958
+ 6303B8FBF9ECBE35_074FA52FC4A6BC45_6039_UN,O(CC2CCOC1(CCOCC1)C2)CCOCC3CCCCO3,CRSYOQWPBVIISB-UHFFFAOYSA-N
41959
+ 6453A9DE1E567A64_5C56BC95827D49C5_6034_UN,CC1=C(N=C(N1CC2CC3CC2C4CC34)C5CCCN5)C6=CC=CC=C6,MGBUJPQAPJVVKU-UHFFFAOYSA-N
41960
+ 64C0428DCF7FD8EC_5B3545A87454B013_6026_UN,FC1=CC(=CC=C1)[S](=O)(=O)N2CCCCC2C3=C(C=C(OC)C=C3)OC,YZFUYCMCVKBSOF-UHFFFAOYSA-N
41961
+ 64EA82635170300F_860393B3203E8FF7_6039_UN,O(C1CCOC(C1)C2CCOCC2)CCC3OCCCO3,IBZXTNAGEWOESS-UHFFFAOYSA-N
41962
+ 65F3D80FA5ACCEB8_0A1BE7C62C1B53CA_6026_DP,[NH]1C(=CC2=C1C=CC=C2)[S](=O)(=O)N4CC(C3=C(OC)C=CC=C3Cl)OCC4,QNHYSECGVOQRAU-UHFFFAOYSA-N
41963
+ 697531C935333A86_5BFD48873CBC62B9_2238_UN,CN1C5=C4CC(C1)NC2(C(NC3=C(C=C([N](=O)=O)C=C23)F)=O)C4=CC=C5,DRJJAVMEPMTQRM-UHFFFAOYSA-N
41964
+ 6A046C0AA6672A67_E1382025C8E4C150_6031_DP,N1CCC(C1)(C(=O)OCC2NC3CC2C=C3)C4=CC(=CC=C4)Br,RWNDAJUMVVPXCW-UHFFFAOYSA-N
41965
+ 6A153821AC90AF9A_743F6B944AE9FCE3_6029_UN,COC1=C(C=CC(=C1)CCN[S](C2=CC(=CC(=C2)OC)F)(=O)=O)C,HSIGYUXJYZUSTM-UHFFFAOYSA-N
41966
+ 6A7F39F2935030AD_5A993C3778AB42F3_6041_UN,C[N]1N=C(C=C1NCC(N(C)C)C2=CC(=CC=C2)F)C3CCCC3,RIYKQDDTNCCVCI-UHFFFAOYSA-N
41967
+ 6DB0B97A950F65EF_CC1BB3C38C6B4EB9_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC(=C(C=C2)C#N)OC,NFHQIGLLFTUBIH-UHFFFAOYSA-N
41968
+ 6DFAF3C1558F396A_7DCD6CB78D1C930A_7009_UN,N([S](=O)(=O)C1(CC=C)CC1)C(=O)C2CC3CC2C4C3C4(F)F,BAHDAJHUWYUZJG-UHFFFAOYSA-N
41969
+ 6FFDF0384173ABE4_6C66FF39EA69B2A7_6039_UN,O(C1CCOC(C1)C2CCOCC2)CC3OCC4CCOC34,VLUVWQCBTNYCME-UHFFFAOYSA-N
41970
+ 716D0E06F715B47B_D7463254B51A67C2_6039_UN,O(CC2CCC1COCCC1C2)CC4=NC3(CC3)CO4,PCQFJJCDRDNPPC-UHFFFAOYSA-N
41971
+ 736821073EAF86A7_118BD404A028DA3A_6034_UN,C1NCC2=C(C1)C4=C(N2CC=CC3=CC(=CC=C3)F)C=CC=C4,NHXGKAUIKMZWAR-UHFFFAOYSA-N
41972
+ 758C7872E0B1E841_83CD9AB507F27663_6041_UN,CCOCC1=C(C=CC(=C1)[N](=O)=O)NCC2=CC=CC(=C2)OCC,WLEBSENHIVNFOB-UHFFFAOYSA-N
41973
+ 76B2A8DDA4DA4772_A1E78981D98D8042_6034_UN,IC2=CN(C1=C(CNCC1)C2=O)CC3(CNC3)C4=CC=CC=C4,HINJYDFMNKLFGM-UHFFFAOYSA-N
41974
+ 76DD63547C3A91D3_1C6F2571F1C1509A_6041_UN,CC1=NC(=C(C=C1)[N](=O)=O)NCC2=C(C=CC(=C2)OC)F,VIQUQXMYILWYHC-UHFFFAOYSA-N
41975
+ 7775269BA82885AF_AC96C54045E2C65F_6026_UN,CCC1=CC=C(S1)[S](=O)(=O)NCC2=CC=CC(=C2C)OC,LHIQBLLQDGHQKW-UHFFFAOYSA-N
41976
+ 79893272AEB6AB52_4B90401444A69ECB_6039_UN,O(CC2CCC1COCCC1C2)CC3CCC(O3)C4CC4,UGCPNFLOXSAWNC-UHFFFAOYSA-N
41977
+ 7D53FD87A6202DEA_65B031224B7F508A_6029_UN,COC1=CC(=C(C=C1)CN[S](C2=CC(=CC(=C2)OC)F)(=O)=O)C,NJRKIDNWMVMDJL-UHFFFAOYSA-N
41978
+ 7D61B53881B2A53D_B8425C147742E00C_6029_UN,COC1=C(C(=C(C=C1)CN[S](C2=CC(=CC(=C2)CO)Cl)(=O)=O)C)OC,DLNZQERJHJKHDR-UHFFFAOYSA-N
41979
+ 7E5DD610A38510BF_30DEA4BDB8FA189D_6031_UN,O(C(=O)C1N=CNCC1)CC[N]3C2=C(C=C(N)C=C2)C=C3,RCBMVUDQXBKJAX-UHFFFAOYSA-N
41980
+ 818107F0D79C6D15_05F94EA2F52307A9_6034_UN,CC1=C(N=C(N1CC2CC3CCC(C2)N3)C4CCCN4)C5=CC=CC=C5,WZBMAIYOVZYVKI-UHFFFAOYSA-N
41981
+ 81EDF26E4EA038E1_4318A1B32DE93BCB_6041_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCCC2=CC=CC(=C2)OCC,RDVNETKTPQYAHO-UHFFFAOYSA-N
41982
+ 826719AD747E839A_77125617C9E4B393_6026_UN,ClC1=C(C=CC=C1)[S](=O)(=O)N2CCCCC2C3=C(C=C(OC)C=C3)OC,DKYHCDOPIUYYDD-UHFFFAOYSA-N
41983
+ 8314D0E47D141D93_97360193FE381BB6_6038_UN,N(CCC1=C[NH]C2=C1C=CC(=C2)F)C(C3N(C)CSC3)=O,GXQATKYXXLXLON-UHFFFAOYSA-N
41984
+ 832AC26CC5667FE8_FA35681CD130080F_6038_UN,N(CCCCCC1=CC=CC=C1)C(C2=C(N(C)C)C=CC(=C2)[N](=O)=O)=O,PRWXYHQLOBRCKO-UHFFFAOYSA-N
41985
+ 86A31F2078E22DF2_1E41368092EECF38_6039_UN,O(CC2COC1(CCCC1)O2)CCOC3CCCCC3C,PCAVXWLVEAEJNX-UHFFFAOYSA-N
41986
+ 86A3D1F541678954_A8C88F6FF9758F71_6038_UN,CC1=C(C(=CC=C1)C(=O)N)NC(C2=C(CC)C=C(C=C2)[N](=O)=O)=O,BFJBOCPECLTHEU-UHFFFAOYSA-N
41987
+ 89573B225CB17CE4_C1493E7B103B5443_6034_UN,CC1=C(C4=C(N1CC2C3CCC(N2)C3)C=CC=C4)C5=CCNCC5,PDDRQESBWRSFEH-UHFFFAOYSA-N
41988
+ 8C90C9039FE336BF_6560A31857E2E98F_6041_UN,COC1=C(C=C(C=C1)[N](=O)=O)NCCOCC2=CC=CC(=C2)OC,KORSKGQEPXQYLO-UHFFFAOYSA-N
41989
+ 8CA5D877C42E5AC6_8A8C0A9933B08400_6039_UN,O(CC2CCC1COCCC1C2)CCCC3CCOC3,VXWXFMGNZVOLRN-UHFFFAOYSA-N
41990
+ 8D03ED4B7CD70B19_40C4F545D1BE71AC_6039_UN,O(C2CCC1COCCC1C2)CC3=NC=C(C(C)C)O3,OLAJGRLZKZYOJP-UHFFFAOYSA-N
41991
+ 8D1B3F9927CACAEB_2926EDEFBB1888CB_7022_UN,C1(=CC2=C(C=C1)OCCC2)NC3=NOC(=C3Br)C4=CC=CC=C4,YXPGWCPNCQOWDI-UHFFFAOYSA-N
41992
+ 8D233747942ECF6B_3947AA4A00531C37_6035_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=CC=CC(=C2)OCCC,FXVHFTCKRWROFL-UHFFFAOYSA-N
41993
+ 8FF21A316FC146DB_24C8A96B91462167_6039_UN,O(CC1=CC(=CC=C1)C2=CC(=C(C=C2)C#N)F)CCN[S](C)(=O)=O,ROLKNUAXAJMBPB-UHFFFAOYSA-N
41994
+ 90E73944804E4964_A6F05918717EFC31_6029_UN,COC1=CC(=C(C=C1)CN[S](C2=C(C=CC(=C2)OC)CBr)(=O)=O)C,ZIBZDTXSLXWCRB-UHFFFAOYSA-N
41995
+ 91D8179A028798E1_54739AE298801329_6034_DP,CC1=CC2=C(C=C1)C(=C[N]2CC3(CNC3)C#N)C4=CCNCC4,BLVYAMSSUGBNJS-UHFFFAOYSA-N
41996
+ 91D8179A028798E1_CF46032D6B5DC018_6034_UN,CC1=CC2=C(C=C1)C(=CN2CC3(CNC3)C#N)C4=CCNCC4,BLVYAMSSUGBNJS-UHFFFAOYSA-N
41997
+ 91F4FAC32E40216F_DB825D383A572CF9_6038_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N)NC(C2=CC=C([N]2C)C3=CC=C(C=C3)F)=O,KYVKJOQQWYRNPL-UHFFFAOYSA-N
41998
+ 92B120F566008B25_52359CE34BC2923B_6041_UN,COC1=C(C(=CC(=C1)[N](=O)=O)NC2=C(CCC)C=CC=C2)C(=O)O,MMNHYMVPJNGXMF-UHFFFAOYSA-N
41999
+ 93D9A020A898819B_ABDA64DA903C7310_6038_UN,N(CCCC1=C[NH]C2=C1C=CC=C2)C(=O)C34CN(C3)[S](C4)(=O)=O,IGYLXIZGLHXJJL-UHFFFAOYSA-N
42000
+ 96FBA21AC003ABD9_1973D14C6BC77B1C_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NCC2=CC(=CC(=C2)OC)C)[N](=O)=O,DQJJRHFRWQVOSU-UHFFFAOYSA-N
42001
+ 97D2642DCCEE77FE_79866214D9FE578C_6029_UN,C1C2CC3CC1CC(C2)N3[S](C4=C(S)C(=CC=C4)Cl)(=O)=O,KRYDVTHRHBOVQA-UHFFFAOYSA-N
42002
+ 983FD3A738D9408B_4E22DAA728E38562_6038_UN,O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)C(C3=C(C=CC(=C3)N(C)C)F)=O,KBKVPTHEJNFNGL-UHFFFAOYSA-N
42003
+ 9940B40A4E3BA1A2_BBE4C153E3A5D071_6039_UN,O(CC2(CC1CO1)CCOCC2)CCOCC3CCCCO3,CWFNXAFPANUAAH-UHFFFAOYSA-N
42004
+ 99F4D55F0516F78B_705EA7262E8E1C6E_6039_UN,O(CC1CC2(CO1)CCOCC2)CCOCC3CCCCO3,TURXULJGCYGENV-UHFFFAOYSA-N
42005
+ 9AF6D8A364E7C69B_D874BA786D5F1561_6035_UN,C[C@@H](OC1=C(C(C)(C)C)C=C(C=C1Br)Br)C2CCCO2,OCRPFFQIXILNBD-IAPIXIRKSA-N
42006
+ 9BA288FFE761F9F7_A8A1E78BFE20EF24_6026_UN,[S](=O)(=O)(C1=C(C=CC(=C1)Br)Br)N3CC=C(C2=CC=CC(=C2)OC)CC3,VMMMEFYKHCBFIT-UHFFFAOYSA-N
42007
+ 9CED9000155D4B1E_B8B9688D17ED451B_6039_UN,O(CC1CCN1C2CCOCC2)CCC3COCCO3,PNMFPXLNGZNYTC-UHFFFAOYSA-N
42008
+ 9E2095CDCD7818A2_FDE3D361D2C179C7_6035_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=CC(=CC(=C2)OC)N,NUHJRPYSTWGKGV-UHFFFAOYSA-N
42009
+ 9F04944D50A28245_4AEE375C1C9D9F40_6039_UN,O(CC2COC1(CCCCC1)O2)CCC3COCCO3,OSEITDFPIIXFAT-UHFFFAOYSA-N
42010
+ A17463A502517932_0D48B6A241AB849C_6038_UN,N(CC1=CC=C(S1)[S](=O)(=O)N)C(CC2=C(C=CC(=C2)C)F)=O,BDGSLHSUMNWOCE-UHFFFAOYSA-N
42011
+ A239EC230C28C6BF_ED75BBCC8F5DF72F_6026_UN,ClC1=CC(=CC=C1)[S](=O)(=O)N2CCCCC2C3=C(C=C(OC)C=C3)OC,HKQKQYSHYJSMDS-UHFFFAOYSA-N
42012
+ A28DB8779EBC5ED7_90E1830D75A02FDC_6038_UN,COC1=CC(=C(C=C1)CNC(C2=C(CC)C=CC(=C2)[N](=O)=O)=O)C,WFRSDZPNCBPKOG-UHFFFAOYSA-N
42013
+ A3ECDA6D698DA98D_6A17842F1CDADAF1_6039_UN,O(C2C1CCOC1C23CCCC3)CCCC4CCOC4,RRGMCVISQFOVIH-UHFFFAOYSA-N
42014
+ A439DBC14A94D36D_137DDB83DCDCE7CB_6031_DP,N1C4CCC1C=C(CC(=O)OCC3=C2N=CC=CC2=CC(=C3)Br)C4,JTRPJFVMKOEGJE-UHFFFAOYSA-N
42015
+ A70854309774234A_647DDD57DD8E3180_6041_UN,COC1=C(C=C(C=C1)[N](=O)=O)NCC2=CC=CC(=C2)OCCOC,QHIBKAOWGWBJAG-UHFFFAOYSA-N
42016
+ A77B994876B651BE_B3B4944B530D21DA_6038_UN,COC1=C(C(=CC=C1)OC)C(OC(=O)C(F)C2=CCCCC2)C3=CC=C(C)O3,IZXKJUQPJIEGPE-UHFFFAOYSA-N
42017
+ A88BCD6321DE6351_F409478211C0B93B_6031_UN,N[C@H]1[C@@H]4CC[C@H]([C@H]1C(=O)OCC2=C[NH]C3=C2C=C(C=C3)Br)C4,ZXAZAWFWQOSFAT-HRZBSETHSA-N
42018
+ A95140FF7688540C_040824BF80168220_6038_UN,CN(C)C1CCOC2=C1C=CC=C2NC(=O)C3=CC=C[NH]3,VEWYIMRJAFFCJD-UHFFFAOYSA-N
42019
+ AC4EF5E1DA65F1BC_6428EE1634FBFF99_6034_UN,CC1=C(C4=C(N1CC2CC3CC2C=C3)C=CC=C4)C5=CCNCC5,GHBDDJKXTXMQKH-UHFFFAOYSA-N
42020
+ AE0756A6895A325B_9DF458D75646F5E2_2238_UN,CN1C5=C4CC(C1=O)NC2(C(NC3=C2C=C([S](N)(=O)=O)C=C3)=O)C4=CC=C5,YKBYDHSCCLLGQS-UHFFFAOYSA-N
42021
+ AE58395CD6E0DE63_2CE5C5A88515FB8D_6041_UN,C[N]1N=NC2=C1C=CC=C2NC4C3C5CC6C3CC7C4C5C67,HMGFTBFTAJDXIV-UHFFFAOYSA-N
42022
+ AFC870E2C6AE123A_F2BDD59D41D5D292_6026_UN,COC1=C(C=CS1)[S](=O)(=O)NC2=CC(=NC=C2)OCCN(C)C,NTWXTCPQMRLANK-UHFFFAOYSA-N
42023
+ B1D8CE97EA3E8A1B_10D1C166F1770C2E_6031_UN,O(C(=O)C3=CC2=C(C=C1OCCOC1=C2)[NH]3)CCOC4CNCC4,AKNXKGQYDBMVGY-UHFFFAOYSA-N
42024
+ B2BB5AE362163C50_0077BDCAF03D5683_6038_UN,N(C1C2CC3CC1CC(C2)(F)C3)C(C[S](NCC)(=O)=O)=O,IYTQUXODAFCNRO-UHFFFAOYSA-N
42025
+ B408D8185C750A62_B941718EC006DDE4_6038_UN,CC1=C(C=C(C=C1)[N](=O)=O)CNC(C2=CC(=C(OCCCC)C=C2)OC)=O,AHTOUZPZYQLAJG-UHFFFAOYSA-N
42026
+ B48BBCA520871D0B_218CDFB69A422D05_6031_UN,O(C(=O)C2COC1=C(C=CC=C1)O2)CC3NC4CC3C=C4,GOGYFAVSZZCFTI-UHFFFAOYSA-N
42027
+ B4B6DFE9CDB55815_AECFD87235C687F1_6039_DP,CC(CCOCC1=CC(=CC2=C1OCOC2)F)C3CCNCC3,WXYWOOLESQDNMI-UHFFFAOYSA-N
42028
+ B4DB3AB5B075A5C4_17D5AE7A39406ADB_6026_UN,CC1=CC(=C(C=C1)Cl)[S](=O)(=O)NCC2=CC(=CS2)COC,CUIOWHLFGZFRNZ-UHFFFAOYSA-N
42029
+ B53E675E9EF778C1_BAD9003E06AC08CB_6029_UN,C1C2CC3CC1CC(C2)N3[S](C4=C(F)C=C(C=C4)CCCl)(=O)=O,NWHLUJPOGPMUGP-UHFFFAOYSA-N
42030
+ B54053BDAA7A076A_D399084E63EA9852_6029_UN,C1C2CC(C1)C4=C(CN2[S](C3=C(Cl)C=CC=C3CBr)(=O)=O)C=CC=C4,YLGBZIYSZXKHKM-UHFFFAOYSA-N
42031
+ B54D2DEC97CAA1BB_25E79B104D34448F_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NCC2=C(C=C(OC)C=C2)F,ZARGKVWYJGQIAT-UHFFFAOYSA-N
42032
+ B5F491461F0C81E3_B18E12F31B2166C5_7022_UN,COC1=C(C(=C(C=C1)Br)F)NC(=NO)C34CC2CC(CC(C2)C3)C4,UBOZRSSSGAVSAA-UHFFFAOYSA-N
42033
+ B940503109201715_BD99A1F0244C4073_6041_UN,C[S](=O)(=O)C1=CC=C(S1)NCCCC2=CC=CC(=C2)OC,INZZNTPMQWJIPT-UHFFFAOYSA-N
42034
+ B9A0B578B6D5D06B_C248EFB267D22247_6004_UN,COC1=C(C(=CC=C1)[N](=O)=O)C2=CC=CC(=C2)COCCOC,MQDKSFRBUBUXJK-UHFFFAOYSA-N
42035
+ BD9F1E09226F175E_8BC4E49649A19357_6041_UN,CC1=C(C=CC(=C1)[N](=O)=O)NCC2=CC=CC(=C2)OCCN(C)C,IGXJRAKNSDOSPR-UHFFFAOYSA-N
42036
+ BD9F1E09226F175E_C374511059E2A418_6041_UN,CC1=C(C=CC(=C1)[N](=O)=O)NCC2=CC=CC(=C2)OCCN(C)C,IGXJRAKNSDOSPR-UHFFFAOYSA-N
42037
+ BDE90CC94AEBC92A_C0A568BC6BA851B3_6029_UN,C1C2CC(C1)C4=C(N(C2)[S](C3=CC=CC(=C3)CBr)(=O)=O)C=CC=C4,RKTQDWUYNQZEHX-UHFFFAOYSA-N
42038
+ C1E837D955CA3A19_600E02A95958A156_6031_UN,O(C(=O)C1=CC=C(C=C1)C2=CCCC2)CC3NC4CC3C=C4,IINVYQDIJOJNGS-UHFFFAOYSA-N
42039
+ C400A1FFAB352D06_7B5A25230700ECB8_6026_UN,FC1=C(C=CC(=C1)[S](=O)(=O)NCCCC2=C(C=CC(=C2)OC)OC)Br,CIFYJEIPMHQTHB-UHFFFAOYSA-N
42040
+ C43F99F35112C802_2EC7DF79985992F1_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NC2=C(C=CC=C2)CCC=C)[N](=O)=O,YSXHWRYYFDHGHR-UHFFFAOYSA-N
42041
+ C48B8FA4B9A2D2D0_7368A5A59DA5C627_6026_UN,CC1=CC(=C(C=C1)Br)[S](=O)(=O)NCC2=CC(=CS2)COC,FOPIVKVCFRKGIB-UHFFFAOYSA-N
42042
+ C6FE557E1C351713_FA33DE6D17735C55_6026_UN,COCC1=CC(=CC(=C1)Cl)[S](=O)(=O)NCC2=C[N](C)C=C2,RRYJBQWZHFKRIR-UHFFFAOYSA-N
42043
+ C72A49930DF0BCFF_B88C184F1081BD43_6031_DP,N1C4CCC1C=C(CC(=O)OCC2=CC3=C(N=C2)C(=CC=C3)F)C4,JTSBUHZNLRBUAW-UHFFFAOYSA-N
42044
+ C844C1AD2C3F7DC4_B52E1AFAD08E80A7_6041_UN,F[S](=O)(=O)CC1=C(C=CS1)NCC2=C(N(C)C)C=CC=N2,HWXVXUJYVFYYER-UHFFFAOYSA-N
42045
+ C9D380AB6ABFFB90_0B4A004DE5C110D1_6038_UN,N(CCC1=C[NH]C2=C1C=CC(=C2)F)C(=O)C34CN(C3)[S](C4)(=O)=O,VNSBPHMDVCHJFI-UHFFFAOYSA-N
42046
+ CA4357411A66C9B7_926ABBD4F6DEB72F_6027_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C4=C(CC)C=CC=C4)(=O)=O,SJFLEMJTDXTWCY-UHFFFAOYSA-N
42047
+ CEA17D9C0B1768CE_CE910118E166CA31_6026_UN,COC1=CC=C(S1)[S](=O)(=O)NC2=C(CC)C=C(C=C2CC)C,KVUFZUAZIBGYAG-UHFFFAOYSA-N
42048
+ D1801780BE4B3FB3_5253B6CD774CD584_6035_UN,O(CC1C2CCC(C1)CN2)C3=C(C=CC=C3)C(=O)CBr,KFHTZJOCFUAVGG-UHFFFAOYSA-N
42049
+ D678BA582CBB79B9_B9A4B276A04048DA_6028_UN,N(C2=C1C3CCC(C1=CC=C2)O3)[S](C4=NN=N[N]4C5=CC=C(OC)C=C5)(=O)=O,JHUNTBDMRGYNNO-UHFFFAOYSA-N
42050
+ D6E3A2AA1A961E44_D1E102F3B64E2C9E_6039_UN,O(CC2COC1(CCCCC1)O2)CCOC3CCCCC3C,LTVUMWSMRWGSAI-UHFFFAOYSA-N
42051
+ D716D9ED5B6AE52D_C067BEC3E08B198E_6035_UN,CN(C)CCOC1=CC(=NC=C1)COC2=C(C=C(C)C=C2)[S](=O)(=O)Cl,HRHSEMNRTLLSMK-UHFFFAOYSA-N
42052
+ DA28D155DF39EE09_BED58B8CB8A491A2_6041_UN,COC1=C(C(=CC(=C1)[N](=O)=O)NC2=C(CC)C=CC=C2C)C(=O)O,ZJGBZPIDYPGMAV-UHFFFAOYSA-N
42053
+ DB313F194F0D9933_23A3ECF30A9AB35B_6026_UN,ClC1=CC2=C(C=C1)C=CC=C2[S](=O)(=O)N4CCC(C3=C(OC)C=CC=C3)CCC4,QDCVIBAFRRZADQ-UHFFFAOYSA-N
42054
+ DB81FBA56FCE064A_2860D412EA6D9C2E_6039_UN,O(CCCC1CCOCC1)CC2CCCC(O2)C3CC3,CZQDCBXLNLBZRX-UHFFFAOYSA-N
42055
+ DE676615F39D05F7_1C3DADDAD0C75FB8_6038_UN,CC1=CC(=C(C=C1)[N](=O)=O)NC(C2=CC(=C(OCCCCCC)C=C2)OC)=O,AHRVQGNOGQMURT-UHFFFAOYSA-N
42056
+ DF5764D6BB3D4526_9BBCCA205641D37F_6031_UN,O(C(=O)C1=C2C(=CC=C1)CNC2)CC3OC4=C(NC3)C=CC=C4,BGSINIBUCITAMI-UHFFFAOYSA-N
42057
+ E073183A3EE5F27C_4212AF1AF009A7A7_6031_UN,O(C(=O)CN1C2CC(C1)C=C2)CC4=CC3=C(C=CC=C3Cl)[NH]4,CYHHMTJTECQOGX-UHFFFAOYSA-N
42058
+ E0A58BEDF746AD2D_670B5A43DF9FD415_6029_UN,C1C3CC4CC(N1[S](C2=CC=C(C=C2)CI)(=O)=O)C3C4,JVCAQQQSTHRHEC-UHFFFAOYSA-N
42059
+ E0BC90329D2A277D_4CE2BBF86550CCC1_6029_UN,COC1=C(C(=C(C=C1)CN[S](C2=C(F)C=CC(=C2)CBr)(=O)=O)C)OC,MVWTZRWNRVJLCD-UHFFFAOYSA-N
42060
+ E1EF8FC30DD269FC_FB0D5AC335AAC58A_6038_UN,CC(NC(CN[S](CC)(=O)=O)=O)C13CC2CC(CC(C1)C2)C3,DMONNBOWDYEJMT-UHFFFAOYSA-N
42061
+ E3A65969C96D90A5_C99653D0C7E9FFAE_6029_UN,COC1=CC(=C(C=C1)CN[S](C2=C(F)C=CC(=C2)CBr)(=O)=O)C,UBGIIVWWGRIVTJ-UHFFFAOYSA-N
42062
+ E64A41437257EAC2_18922D52AEB7C0A2_6026_UN,[S](=O)(=O)(C1=C(C2=C(C=C1)C=CC=C2)Br)N4CC(C3=C(OC)C=CC=C3Cl)OCC4,BLFNRWWDQBKNAN-UHFFFAOYSA-N
42063
+ E6908439C3BA9BC4_E50BADCA0A631C71_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NC2=C(CC)C(=CC=C2)C)[N](=O)=O,XZPAFOMCIBGDSL-UHFFFAOYSA-N
42064
+ E79E48BCF5D3189F_9476D4C017A81F14_6029_UN,COC1=C(C(=CC=C1)CN[S](C2=CC(=CC(=C2)CO)F)(=O)=O)C,SJWATYMIUQLRCV-UHFFFAOYSA-N
42065
+ E8C38C56A855409F_08DDCEAB6EC52125_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NCCCCOC2=CC=C(C)C=C2)[N](=O)=O,JBERYHYDVCQOFQ-UHFFFAOYSA-N
42066
+ E99ADAEDB24D1D89_E7E6A2CE139ACD7C_6039_UN,O(C2C1CCOC1C23CCCC3)CCC4OCCCO4,MPFPNDIURRFLOP-UHFFFAOYSA-N
42067
+ EAE39C35A2D13033_73A8D119BB1FC746_6041_UN,CC1=NC=C([N]1C)NC2C4=C(C3CCC2C3)C=CC=C4,FGPWPLJDUFOUHK-UHFFFAOYSA-N
42068
+ EBD9E5F6C7166B90_A4C536B14F8666EC_6026_UN,ClC1=CC=C(C=C1)[S](=O)(=O)N2CCCCC2C3=C(C=C(OC)C=C3)OC,SCBHTLBFSQIQRK-UHFFFAOYSA-N
42069
+ EC00CAAF706BCC71_62EFFBC6BA67A0E0_6031_DP,N1CC2CC(C1C=C2)C(=O)OCC3=CC=C(C=C3)C#CCF,BSNZFBRQGGLYKU-UHFFFAOYSA-N
42070
+ ED7C1366875CC03A_F6AB95840D7617B2_6026_UN,ClC1=CC=C(S1)[S](=O)(=O)NC2=CC(=C(OCCCOC)C=C2)OC,TXSNEMGPWXQKSB-UHFFFAOYSA-N
42071
+ ED7EFCD5C86EE1AF_6DF50D74F9E3B6DE_6029_UN,COC1=C(C(=C(C=C1)CN[S](C2=CC(=CC(=C2)CO)F)(=O)=O)C)OC,RZNZHRWITGHLKJ-UHFFFAOYSA-N
42072
+ ED991AD2E394CF36_E142261C01B6BE1F_6031_UN,O(C(=O)C12CCC(F)(CC1)C2)CC[N]3C=C(CN)C=N3,NCHFGCZBDCLQHX-UHFFFAOYSA-N
42073
+ EFED591CFF8B1970_DEBFEC9022CCD451_2238_UN,CN1C5=C4CC(C1=O)NC2(C(NC3=C2C=C([S](Cl)(=O)=O)C=C3)=O)C4=CC=C5,PQCBTXSBYYXIBX-UHFFFAOYSA-N
42074
+ F16534A39D42CBDC_A9E6BF1A10E0ED6E_6031_UN,O(C(=O)C1=C2C(=CC=C1)OCCNC2)CCC4CC3=C(C=CC=C3)CN4,PXCVRLLMCOTPKS-UHFFFAOYSA-N
42075
+ F1C33232F41714D7_BA034D0FEEEC4170_6041_UN,CC1=C(C=C(C(=C1)C)[S](=O)(=O)F)NCCCC2=CC=CC(=C2)OC,KWCJBCLRIKWNQA-UHFFFAOYSA-N
42076
+ F3637EC4DD14AB14_8C5D5CA33A743FB5_6029_DP,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=CC=C(O)C=C4)(=O)=O,QPAHFPUFDNONQY-UHFFFAOYSA-N
42077
+ F3637EC4DD14AB14_AE2797CD51171FA8_6029_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=CC=C(O)C=C4)(=O)=O,QPAHFPUFDNONQY-UHFFFAOYSA-N
42078
+ F3F535E3B3CCEEBB_AC9344538A7CCE94_6031_DP,N1C4CCC1C=C(CC(=O)OCC3=CC2=C(C=C(C=C2)Br)[NH]3)C4,TZPJBMICYNQLBE-UHFFFAOYSA-N
42079
+ F522C3A39E0C5DE6_DA2EB562032E382A_6038_UN,CC1=C(C(=CC=C1)C(=O)N)NC(C2=C(CC)C=CC(=C2)[N](=O)=O)=O,UXSUFUBDEQNUBL-UHFFFAOYSA-N
42080
+ F5B2C5685E6D228D_3C7B8952B6AAF377_6039_UN,O(CC1(CC=C)CCC1)CCC3COC2(CCCC2)O3,MIPNIKWQRDTZSV-UHFFFAOYSA-N
42081
+ F6EFDAEB1ED70D62_00DC8F1B6B5D3FC5_6041_UN,CC1=C(C(=C(C=C1)[N](=O)=O)NCCOC2=CC=CC(=C2)OC)C,PKUUFGFANALTIS-UHFFFAOYSA-N
42082
+ FA845AEE600E224B_DE1C689E607661CA_6041_UN,COC1=C(C=C(C=C1)[N](=O)=O)NCCCOC2=CC=CC(=C2)OC,FTCWMVQGEMLKOU-UHFFFAOYSA-N
42083
+ FA8AEA940DBA6957_E84073D0C50A135E_6039_UN,O(CC2CCC1COCCC1C2)CC3CCCC(O3)C4CC4,WWQTVODFPGDQRJ-UHFFFAOYSA-N
42084
+ FB74EEE560F8A221_164CE3D30DE72344_6038_UN,COC1=C(C=CC(=C1)F)NC(C2=C(CC)C=CC(=C2)[N](=O)=O)=O,VPBMKGTTWBGKPU-UHFFFAOYSA-N
42085
+ FC8968FB37B35848_692EBC7A968C37B7_6041_UN,COC1=C(C=C(C=C1)[N](=O)=O)NC2=CC(=NC=C2)OCCOC,PRLJPZRDUXTGOY-UHFFFAOYSA-N
42086
+ FE18061395BA530F_96E46C2068DDF40C_6039_UN,O(CCC1CCCCC12OCCO2)CCC3CCOCC3,JOFXNNMRCBQFJG-UHFFFAOYSA-N
42087
+ FEE8E673252E102C_31DEDB5DD69EF9B5_6029_UN,C1C2CC3CC1CC(C2)N3[S](C4=C(F)C=CC(=C4)I)(=O)=O,YBKIJTXJLPXWSO-UHFFFAOYSA-N
42088
+ FFF509C5AA17301D_F638E2572F14F3C6_6039_UN,O(C1CCOC(C1)C2CCOC2)CCOCC3CCCO3,POSCTHYZYFCRDJ-UHFFFAOYSA-N
42089
+ rxn:2:101985:119108,CN1C2CCC(Nc3nnc(C45CC6CC(CC(C6)C4)C5)o3)C1CC2,LPMLZHJNPUVFJP-UHFFFAOYSA-N
42090
+ rxn:2:101985:128931,CN1CCCC1C1CCCCC1Nc1nnc(C23CC4CC(CC(C4)C2)C3)o1,SVZYVTFEPFZWOU-UHFFFAOYSA-N
42091
+ rxn:2:101985:130848,CN1CC2CCC1CC2Nc1nnc(C23CC4CC(CC(C4)C2)C3)o1,BIMSQQOWJOABJH-UHFFFAOYSA-N
42092
+ rxn:2:103853:115996,CCC(C)N(CC)C1CCCCCC1NCCN1CCC(N(C)C)C1,KQMDMDRZNCUQSE-UHFFFAOYSA-N
42093
+ rxn:2:103853:135290,CCC1CCC(NCCN2CCC(N(C)C)C2)C(CN(CC)C2CC2)C1,VUNNIVQQGUCCLR-UHFFFAOYSA-N
42094
+ rxn:2:108124:133359,Cc1cc(CC2CCCCC2NCCN(C)C2CCCCC2N(C)C)n[nH]1,WJSHBMGABRIWSM-UHFFFAOYSA-N
42095
+ rxn:2:110671:141384,Cc1nc(CN2CCC(C)CC2)sc1CNC1CCCC(N(C)C)C1,ZRLQURONQXWQBT-UHFFFAOYSA-N
42096
+ rxn:2:116244:122376,Cc1nc(NC2CCCCCC2N(C)Cc2ccccc2C)c(N(C)C2CCCCCC2)[nH]1,ORCJBIMBWHBUJP-UHFFFAOYSA-N
42097
+ rxn:2:117382:119164,CCCCN(C)CC1CCCCC1N[C@H]1C[C@H](N(C)C)C1,HTTDAZNIZIXDNI-GFHJVICUSA-N
42098
+ rxn:2:117382:123809,CCCCCN(C)C1CCCCCC1N[C@H]1C[C@H](N(C)C)C1,HEQNGBJCSUBTMK-POSCCBCBSA-N
42099
+ rxn:2:119164:132798,CCCCN(C)CC1CCCCC1N[C@H]1C[C@@H](N(C)C)C1,HTTDAZNIZIXDNI-ZTOOSOLZSA-N
42100
+ rxn:2:120148:133359,CCC(NCCN(C)C1CCCCC1N(C)C)C1CCN(CC)CC1,WSXZBHXDJQSTOP-UHFFFAOYSA-N
42101
+ rxn:2:120901:123611,Cc1nc(N(C)C2CCCC2)c(NC2CCCCCC2CN(C)Cc2ccccc2)[nH]1,AKRKILGPXSFIKD-UHFFFAOYSA-N
42102
+ rxn:2:121973:141384,CC1CCCC(N(C)Cc2csc(NC3CCCC(N(C)C)C3)n2)C1,UUJFRUKXLCKYGP-UHFFFAOYSA-N
42103
+ rxn:2:123809:132798,CCCCCN(C)C1CCCCCC1N[C@H]1C[C@@H](N(C)C)C1,HEQNGBJCSUBTMK-LPOKXYRGSA-N
42104
+ rxn:2:135290:136189,CCC1CCC(N[C@@H]2CC[C@H](N(C)C)C2)C(CN(CC)C2CC2)C1,OJHOQDKNLKFQLC-UTODDGAWSA-N
42105
+ rxn:2:66774:133359,CCC(NCCN(C)C1CCCCC1N(C)C)C1CCCN(CC)C1,WCLBBHYOZCNEBI-UHFFFAOYSA-N
42106
+ rxn:2:66774:85458,CCC(NCCN(C)C1CCC(N(C)C)CC1)C1CCCN(CC)C1,CRIBSPGCXGJRRJ-UHFFFAOYSA-N
42107
+ rxn:2:69184:115914,CCN(CCNC1CC([Si](C)(C)C)C12CCC2)[C@H]1CCCN(C)C1,HFXSTNZRFLZFFD-VIQWUECVSA-N
42108
+ rxn:2:69184:89318,CCN(CCNC1CC([Si](C)(C)C)C12CCC2)[C@@H]1CCCN(C)C1,HFXSTNZRFLZFFD-LMDPOFIKSA-N
42109
+ rxn:2:69833:98120,COc1ccc2c(c1)OCCN(CCCNC1CCOC(c3ccc4c(c3)OCO4)C1)C2,FZSFJYFLPFIRHX-UHFFFAOYSA-N
42110
+ rxn:2:71174:133359,CCCC(NCCN(C)C1CCCCC1N(C)C)C1CCCCC1,RMVSRAZTCXLSAY-UHFFFAOYSA-N
42111
+ rxn:2:73943:104771,CC(C)N(C)C1CCCN(CCNC2CC3CCCN3C(C)(C)C2)C1,WFWLRBHJXCRTNO-UHFFFAOYSA-N
42112
+ rxn:2:74479:133359,Cc1oc2c(c1C(C)NCCN(C)C1CCCCC1N(C)C)CCC2,RISIPJGDWAAPPB-UHFFFAOYSA-N
42113
+ rxn:2:74555:70459,CCN(CC)CC1CCCCC1N[C@]1(C)C[C@H](N(C)C)C1,INNXNPKKJCEUIS-KUPNBSADSA-N
42114
+ rxn:2:75600:133359,CCC1CCCC(CNCCN(C)C2CCCCC2N(C)C)N1CC,LVLDWMYZZLPZKG-UHFFFAOYSA-N
42115
+ rxn:2:75926:113715,CN1C2CCC1CC(Nc1nc[nH]c1C1C3CC4CC(C3)CC1C4)C2,IICAJVGQHRXGCO-UHFFFAOYSA-N
42116
+ rxn:2:77502:133359,CCCC(NCCN(C)C1CCCCC1N(C)C)C1CCC1,VVYMQTJZJFTCAG-UHFFFAOYSA-N
42117
+ rxn:2:79084:113485,CC1CC2C(CC1NC1CC3COCC(C1)N3C)[C@H]1CC[C@@H]2C1,OSOHTTKLEOHMNM-CFYDGGKESA-N
42118
+ rxn:2:80566:109704,CN(C)C1CCCN(CCNC2CCCC(SC(C)(C)C)C2)C1,JANZTVMPDDGDBO-UHFFFAOYSA-N
42119
+ rxn:2:81412:111089,CCN(CCNC1CCCC(CN(C)C)C1)[C@@H]1CCN(C)C1,NUYNLDMVLGENSW-DAWZGUTISA-N
42120
+ rxn:2:81412:141384,CCN(CCNC1CCCC(N(C)C)C1)[C@@H]1CCN(C)C1,VSZYKMYDCWIFHK-OFLPRAFFSA-N
42121
+ rxn:2:83848:130848,CN1CC2CCC1CC2Nc1nc(N(C)C2C3CC4CC(C3)CC2C4)no1,DTZKUSHMKBQPIY-UHFFFAOYSA-N
42122
+ rxn:2:85132:133359,CCC(NCCN(C)C1CCCCC1N(C)C)C1CCN(CC)C1,GAEZOWMMHQIHBZ-UHFFFAOYSA-N
42123
+ rxn:2:85543:115996,CCC(C)N(CC)C1CCCCCC1NCC1CC(N(C)C)C1,ATMYJTXUIYTYIW-UHFFFAOYSA-N
42124
+ rxn:2:88564:137723,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC12COC(C1)C2,KAGPVKGRZDTGSF-UHFFFAOYSA-M
42125
+ rxn:2:88564:89934,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1CC2CC1O2,HCHNBJZJQZLROY-UHFFFAOYSA-M
42126
+ rxn:2:88564:90550,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC12COCC(C1)C2,KCGBLDKTIDEDRN-UHFFFAOYSA-M
42127
+ rxn:2:89318:132988,CCN(CCNC1CCCC(N(C)C)CC1)[C@@H]1CCCN(C)C1,WTCQKDRRMPHNBY-CTWPCTMYSA-N
42128
+ rxn:2:98407:133359,CCCC(NCCN(C)C1CCCCC1N(C)C)C1CCCC1,ZIYMDUKPUYYJTA-UHFFFAOYSA-N