0 B26R2.10841684 C=C(C)CNNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 22a_100000729518_200160766836 [0,0,0,0,0,0|3,0,0]=3 1 B26R2.10841684 CSCCC(C(=O)CCC=C(C)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011217483 [0,0,0,0,0,0|3,0,1]=4 2 B26R2.10841684 CSCCC(C(=O)CCC=C(F)F)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200009816681 [0,0,0,0,0,0|3,0,1]=4 3 B26R2.10841684 CSCCC(C(=O)CCCC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011215641 [0,0,0,0,0,0|2,0,0]=2 4 B26R2.10841684 CSCCC(C(=O)CCCC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100102525003 [0,0,0,0,0,0|2,0,0]=2 5 B26R2.10841684 CSCCC(C(=O)CCCC(C)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011214892 [0,0,0,0,0,0|3,0,1]=4 6 B26R2.10841684 CSCCC(C(=O)CCCC(C)O)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200000718107 [0,0,0,0,0,0|2,0,1]=3 7 B26R2.10841684 CSCCC(C(=O)CCCN(C)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000695564 [0,0,0,0,0,0|4,0,0]=4 8 B26R2.10841684 CSCCC(C(=O)CCNC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000189650 [0,0,0,0,0,0|3,0,0]=3 9 B26R2.10841684 CSCCC(C(=O)CCNC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200000034859 [0,0,0,0,0,0|3,0,0]=3 10 B26R2.10841684 CSCCC(C(=O)CCOC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100009814007 [0,0,0,0,0,0|3,0,0]=3 11 B26R2.10841684 CSCCC(C(=O)CCOC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200011214921 [0,0,0,0,0,0|3,0,0]=3 12 B26R2.10841684 CSCCC(C(=O)NCCC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000740010_200160766836 [0,0,0,0,0,0|1,0,0]=1 13 B26R2.10841684 CSCCC(C(=O)NCCC(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000210545_200160766836 [0,0,0,0,0,0|2,0,1]=3 14 B26R2.10841684 CSCCC(C(=O)NCCC(C)O)n1c(=O)[nH]c2ccccc2c1=O 240690a_200000755665_200160766836 [0,0,0,0,0,0|1,0,1]=2 15 B26R2.10841684 CSCCC(C(=O)NCCN(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000210585_200160766836 [0,0,0,0,0,0|3,0,0]=3 16 B26R2.10841684 CSCCC(C(=O)NNCC(C)C)n1c(=O)[nH]c2ccccc2c1=O 22a_100000696102_200160766836 [0,0,0,0,0,0|3,0,1]=4 17 B26R2.10841684 CSCCC(C(=O)NNCC(C)O)n1c(=O)[nH]c2ccccc2c1=O 22a_200000730056_200160766836 [0,0,0,0,0,0|2,0,1]=3 18 B25R2.244447100 C#CCCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000731252 [1,0,0,0,0,0|2,0,1]=4 19 B25R2.244447100 C#CCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000755551_200160766836 [1,0,0,0,0,0|1,0,1]=3 20 B25R2.244447100 C=CCCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000757094 [1,0,0,0,0,0|2,0,0]=3 21 B25R2.244447100 C=CCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100015191253_200160766836 [1,0,0,0,0,0|1,0,0]=2 22 B25R2.244447100 C=CCNNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 22a_100020588587_200160766836 [1,0,0,0,0,0|2,0,0]=3 23 B25R2.244447100 C=COCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000039644 [1,0,0,0,0,0|3,0,0]=4 24 B25R2.244447100 CCCCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000210326 [1,0,0,0,0,0|2,0,1]=4 25 B25R2.244447100 CCCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000102301_200160766836 [1,0,0,0,0,0|1,0,1]=3 26 B25R2.244447100 CCCNNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 22a_100000740057_200160766836 [1,0,0,0,0,0|2,0,1]=4 27 B25R2.244447100 COCCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000740836 [1,0,0,0,0,0|3,0,0]=4 28 B25R2.244447100 COCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000209980_200160766836 [1,0,0,0,0,0|2,0,0]=3 29 B25R2.244447100 CSCCC(C(=O)CCCC#N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000211468 [1,0,0,0,0,0|2,0,1]=4 30 B25R2.244447100 CSCCC(C(=O)CCCCF)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000729493 [1,0,0,0,0,0|2,0,1]=4 31 B25R2.244447100 CSCCC(C(=O)CCCCO)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000210776 [1,0,0,0,0,0|1,0,1]=3 32 B25R2.244447100 CSCCC(C(=O)NCCC#N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000720768_200160766836 [1,0,0,0,0,0|1,0,1]=3 33 B25R2.244447100 CSCCC(C(=O)NCCCF)n1c(=O)[nH]c2ccccc2c1=O 240690a_100015189416_200160766836 [1,0,0,0,0,0|1,0,1]=3 34 B25R2.244447100 CSCCC(C(=O)NCCCO)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000182051_200160766836 [1,0,0,0,0,0|0,0,1]=2 35 B25R2.244447100 CSCCC(C(=O)NNCCO)n1c(=O)[nH]c2ccccc2c1=O 22a_100000210001_200160766836 [1,0,0,0,0,0|1,0,1]=3 36 B25R2.244447100 CSCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020590264_200160766836 [1,0,0,0,0,0|2,0,0]=3 37 B27R2.13662105 CSCCC(C(=O)CCCS(=O)(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000754308 [0,1,0,0,0,0|2,0,1]=4 38 B27R2.13662105 CSCCC(C(=O)CCCS(=O)(=O)N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000750626 [0,1,0,0,0,0|2,0,1]=4 39 B27R2.13662105 CSCCC(C(=O)CCCS(=O)(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100009813499 [0,1,0,0,0,0|2,0,1]=4 40 B27R2.13662105 CSCCC(C(=O)NCCC(C)(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000738805_200160766836 [0,1,0,0,0,0|2,0,1]=4 41 B27R2.13662105 CSCCC(C(=O)NCCC(C)(C)F)n1c(=O)[nH]c2ccccc2c1=O 240690a_100016253952_200160766836 [0,1,0,0,0,0|2,0,1]=4 42 B27R2.13662105 CSCCC(C(=O)NCCC(F)(F)F)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000740434_200160766836 [0,1,0,0,0,0|2,0,1]=4 43 B27R2.13662105 CSCCC(C(=O)NCCS(=O)(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000740961_200160766836 [0,1,0,0,0,0|1,0,1]=3 44 B27R2.13662105 CSCCC(C(=O)NCCS(=O)(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000738205_200160766836 [0,1,0,0,0,0|1,0,1]=3 45 B27R2.13662105 CSCCC(C(=O)NCC[N+](C)(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000106457_200160766836 [0,1,0,0,0,0|3,0,0]=4 46 B27R2.13662109 CSCCC(C(=O)N(C)CCC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000730477_200160766836 [0,1,0,0,0,0|1,0,0]=2 47 B27R2.13662109 CSCCC(C(=O)N(C)CCC(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000742789_200160766836 [0,1,0,0,0,0|2,0,1]=4 48 B27R2.13662109 CSCCC(C(=O)N(C)CCN(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000225618_200160766836 [0,1,0,0,0,0|3,0,0]=4 49 B27R2.168409878 CSCCC(C(=O)NC(C)CC(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000692259_200160766836 [0,1,0,0,0,0|2,0,1]=4 50 B27R2.168409878 CSCCC(C(=O)NC(C)CN(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100016992788_200160766836 [0,1,0,0,0,0|3,0,0]=4 51 B27R2.168409879 CSCCC(C(=O)NCC(O)C(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000759067_200160766836 [0,1,0,0,0,0|2,0,1]=4 52 B27R2.168409879 CSCCC(C(=O)NNC(=O)C(=O)N)n1c(=O)[nH]c2ccccc2c1=O 22a_100000211141_200160766836 [0,1,0,0,0,0|2,0,1]=4 53 B27R2.168409880 C=CC(=O)OCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100009813456 [0,1,0,0,0,0|3,0,0]=4 54 B27R2.168409880 CCC(C)CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020591266_200160766836 [0,1,0,0,0,0|2,0,1]=4 55 B27R2.168409880 CCC(O)CNNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 22a_100015206393_200160766836 [0,1,0,0,0,0|2,0,1]=4 56 B27R2.168409880 CNC(=O)CCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000741757 [0,1,0,0,0,0|2,0,0]=3 57 B27R2.168409880 CNC(=O)CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000738227_200160766836 [0,1,0,0,0,0|1,0,0]=2 58 B27R2.168409880 CNC(=O)OCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200011997002 [0,1,0,0,0,0|3,0,0]=4 59 B27R2.168409880 COC(=O)CCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011218270 [0,1,0,0,0,0|1,0,0]=2 60 B27R2.168409880 COC(=O)CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 188690a_100000683876_200160766836 [0,1,0,0,0,0|0,0,0]=1 61 B27R2.168409880 CSCCC(C(=O)NCCC(C)CO)n1c(=O)[nH]c2ccccc2c1=O 240690a_106354213184_200160766836 [0,1,0,0,0,0|1,0,1]=3 62 B27R3.22398054 CSCCC(C(=O)N1CCC(C1)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100011215560_200160766836 [0,0,0,1,0,0|1,0,1]=3 63 B27R3.22398054 CSCCC(C(=O)N1CC[C@@H](C1)F)n2c(=O)[nH]c3ccccc3c2=O 240690a_100015203821_200160766836 [0,0,0,1,0,0|2,0,1]=4 64 B27R3.22398054 CSCCC(C(=O)N1CC[C@H](C1)C)n2c(=O)[nH]c3ccccc3c2=O 240690a_100016987628_200160766836 [0,0,0,1,0,0|2,0,1]=4 65 B27R3.22398054 CSCCC(C(=O)N1CNC(=O)C1)n2c(=O)[nH]c3ccccc3c2=O 240690a_200000708111_200160766836 [0,0,0,1,0,0|2,0,0]=3 66 B27R3.180298891 CSCCC(C(=O)NC1CC1(F)F)n2c(=O)[nH]c3ccccc3c2=O 240690a_100020610826_200160766836 [0,0,0,1,0,0|2,0,1]=4 67 B27R3.180298999 CSCCC(C(=O)CC1CC(=O)C1)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100009874392 [0,0,0,1,0,0|2,0,0]=3 68 B27R3.180298999 CSCCC(C(=O)NC1CC(C1)F)n2c(=O)[nH]c3ccccc3c2=O 240690a_100016993743_200160766836 [0,0,0,1,0,0|2,0,1]=4 69 B27R3.180298999 CSCCC(C(=O)NC1CN(C1)C)n2c(=O)[nH]c3ccccc3c2=O 240690a_100015196640_200160766836 [0,0,0,1,0,0|3,0,0]=4 70 B27R3.180298999 CSCCC(C(=O)N[C@H]1C[C@@H](C1)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100020629032_200160766836 [0,0,0,1,0,0|1,0,1]=3 71 B27R3.180299000 CSCCC(C(=O)CCCC1CO1)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100000733510 [0,0,0,1,0,0|2,0,1]=4 72 B27R3.180299000 CSCCC(C(=O)NCCC1CC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000764129_200160766836 [0,0,0,1,0,0|2,0,1]=4 73 B25R2.8850708 C=C(C)CNNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 22a_100000729518_100000389444 [0,0,0,0,1,0|3,0,0]=4 74 B25R2.8850708 CSCCC(C(=O)CCCC(=O)C)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100011215641 [0,0,0,0,1,0|2,0,0]=3 75 B25R2.8850708 CSCCC(C(=O)CCCC(=O)N)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100102525003 [0,0,0,0,1,0|2,0,0]=3 76 B25R2.8850708 CSCCC(C(=O)CCCC(C)O)N1C(=O)c2ccccc2C1=O 1458a_100000389444_200000718107 [0,0,0,0,1,0|2,0,1]=4 77 B25R2.8850708 CSCCC(C(=O)CCNC(=O)C)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000189650 [0,0,0,0,1,0|3,0,0]=4 78 B25R2.8850708 CSCCC(C(=O)CCNC(=O)N)N1C(=O)c2ccccc2C1=O 1458a_100000389444_200000034859 [0,0,0,0,1,0|3,0,0]=4 79 B25R2.8850708 CSCCC(C(=O)CCOC(=O)C)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100009814007 [0,0,0,0,1,0|3,0,0]=4 80 B25R2.8850708 CSCCC(C(=O)CCOC(=O)N)N1C(=O)c2ccccc2C1=O 1458a_100000389444_200011214921 [0,0,0,0,1,0|3,0,0]=4 81 B25R2.8850708 CSCCC(C(=O)NCC=C(C)C)N1C(=O)c2ccccc2C1=O 11a_100000718196_100000389444 [0,0,0,0,1,0|2,0,1]=4 82 B25R2.8850708 CSCCC(C(=O)NCC=C(C)C)N1C(=O)c2ccccc2C1=O 1626a_100000718196_100000389444 [0,0,0,0,1,0|2,0,1]=4 83 B25R2.8850708 CSCCC(C(=O)NCC=C(C)C)N1C(=O)c2ccccc2C1=O 527a_100000718196_100000389444 [0,0,0,0,1,0|2,0,1]=4 84 B25R2.8850708 CSCCC(C(=O)NCCC(=O)N)N1C(=O)c2ccccc2C1=O 11a_100000740010_100000389444 [0,0,0,0,1,0|1,0,0]=2 85 B25R2.8850708 CSCCC(C(=O)NCCC(=O)N)N1C(=O)c2ccccc2C1=O 240690a_100000740010_100000389444 [0,0,0,0,1,0|1,0,0]=2 86 B25R2.8850708 CSCCC(C(=O)NCCC(=O)N)N1C(=O)c2ccccc2C1=O 527a_100000740010_100000389444 [0,0,0,0,1,0|1,0,0]=2 87 B25R2.8850708 CSCCC(C(=O)NCCC(C)C)N1C(=O)c2ccccc2C1=O 11a_100000210545_100000389444 [0,0,0,0,1,0|2,0,1]=4 88 B25R2.8850708 CSCCC(C(=O)NCCC(C)C)N1C(=O)c2ccccc2C1=O 1626a_100000210545_100000389444 [0,0,0,0,1,0|2,0,1]=4 89 B25R2.8850708 CSCCC(C(=O)NCCC(C)C)N1C(=O)c2ccccc2C1=O 240690a_100000210545_100000389444 [0,0,0,0,1,0|2,0,1]=4 90 B25R2.8850708 CSCCC(C(=O)NCCC(C)C)N1C(=O)c2ccccc2C1=O 527a_100000210545_100000389444 [0,0,0,0,1,0|2,0,1]=4 91 B25R2.8850708 CSCCC(C(=O)NCCC(C)O)N1C(=O)c2ccccc2C1=O 240690a_200000755665_100000389444 [0,0,0,0,1,0|1,0,1]=3 92 B25R2.8850708 CSCCC(C(=O)NCCC(C)O)N1C(=O)c2ccccc2C1=O 527a_200000755665_100000389444 [0,0,0,0,1,0|1,0,1]=3 93 B25R2.8850708 CSCCC(C(=O)NCCN(C)C)N1C(=O)c2ccccc2C1=O 240690a_100000210585_100000389444 [0,0,0,0,1,0|3,0,0]=4 94 B25R2.8850708 CSCCC(C(=O)NCCN(C)C)N1C(=O)c2ccccc2C1=O 527a_100000210585_100000389444 [0,0,0,0,1,0|3,0,0]=4 95 B25R2.8850708 CSCCC(C(=O)NNCC(C)O)N1C(=O)c2ccccc2C1=O 22a_200000730056_100000389444 [0,0,0,0,1,0|2,0,1]=4 96 B25R2.8854666 C=C(C)CCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000730704 [0,0,0,0,1,0|2,0,0]=3 97 B25R2.8854666 C=C(C)CNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000765925_200160766836 [0,0,0,0,1,0|2,0,0]=3 98 B25R2.8854666 CSCCC(C(=O)CC=C(C)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000761012 [0,0,0,0,1,0|2,0,1]=4 99 B25R2.8854666 CSCCC(C(=O)CCC(C)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000210312 [0,0,0,0,1,0|2,0,1]=4 100 B25R2.8854666 CSCCC(C(=O)CCC(C)O)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100012276601 [0,0,0,0,1,0|1,0,1]=3 101 B25R2.8854666 CSCCC(C(=O)NCC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000711301_200160766836 [0,0,0,0,1,0|1,0,0]=2 102 B25R2.8854666 CSCCC(C(=O)NCC(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000210953_200160766836 [0,0,0,0,1,0|2,0,1]=4 103 B25R2.8854666 CSCCC(C(=O)NCC(C)O)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000210904_200160766836 [0,0,0,0,1,0|1,0,1]=3 104 B25R2.8854666 CSCCC(C(=O)NCC(F)F)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000765723_200160766836 [0,0,0,0,1,0|2,0,1]=4 105 B25R2.8854666 CSCCC(C(=O)NNC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 22a_100000189765_200160766836 [0,0,0,0,1,0|2,0,0]=3 106 B27R2.13662108 CSCCC(C(=O)CCCCB(O)O)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200009817182 [0,0,0,0,0,1|2,0,1]=4 107 B27R2.13662108 CSCCC(C(=O)CCCCC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000735457 [0,0,0,0,0,1|2,0,0]=3 108 B27R2.13662108 CSCCC(C(=O)CCCOC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000042594 [0,0,0,0,0,1|2,0,0]=3 109 B27R2.13662108 CSCCC(C(=O)CCCOC(=S)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200135323944 [0,0,0,0,0,1|2,1,0]=4 110 B27R2.13662108 CSCCC(C(=O)CCCSC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000038929 [0,0,0,0,0,1|2,0,0]=3 111 B27R2.13662108 CSCCC(C(=O)CCOCC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000076697 [0,0,0,0,0,1|2,0,0]=3 112 B27R2.13662108 CSCCC(C(=O)NCCCC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000739312_200160766836 [0,0,0,0,0,1|1,0,0]=2 113 B27R2.13662108 CSCCC(C(=O)NCCCC(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_200000737386_200160766836 [0,0,0,0,0,1|2,0,1]=4 114 B27R2.13662108 CSCCC(C(=O)NCCCN(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_102531767803_200160766836 [0,0,0,0,0,1|3,0,0]=4 115 B27R2.13662108 CSCCC(C(=O)NCCCS(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_200000753449_200160766836 [0,0,0,0,0,1|2,0,0]=3 116 B27R2.13662108 CSCCC(C(=O)NCCNC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000209853_200160766836 [0,0,0,0,0,1|1,0,0]=2 117 B27R2.13662108 CSCCC(C(=O)NCCNC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020590234_200160766836 [0,0,0,0,0,1|1,0,0]=2 118 B27R2.13662108 CSCCC(C(=O)NCCOC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000724843_200160766836 [0,0,0,0,0,1|1,0,0]=2 119 B27R2.13662108 CSCCC(C(=O)NCCOC(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000701111_200160766836 [0,0,0,0,0,1|2,0,1]=4 120 B27R2.13662108 CSCCC(C(=O)NCCSC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020647217_200160766836 [0,0,0,0,0,1|1,0,0]=2 121 B27R2.13662108 CSCCC(C(=O)NCCSC(C)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000731138_200160766836 [0,0,0,0,0,1|2,0,1]=4 122 B27R2.13662108 CSCCC(C(=O)NNCCN(C)C)n1c(=O)[nH]c2ccccc2c1=O 22a_100000738145_200160766836 [0,0,0,0,0,1|3,0,0]=4 123 B24R2.134869666 C#CCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000753159 [2,0,0,0,0,0|1,0,1]=4 124 B24R2.134869666 C#CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000212058_200160766836 [2,0,0,0,0,0|0,0,2]=4 125 B24R2.134869666 C/C=C/CC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100102629194 [2,0,0,0,0,0|1,0,1]=4 126 B24R2.134869666 C=CCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000754431 [2,0,0,0,0,0|1,0,0]=3 127 B24R2.134869666 C=CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020586998_200160766836 [2,0,0,0,0,0|0,0,1]=3 128 B24R2.134869666 CC=CCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000070051 [2,0,0,0,0,0|1,0,1]=4 129 B24R2.134869666 CCCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000210211 [2,0,0,0,0,0|1,0,1]=4 130 B24R2.134869666 CCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020643023_200160766836 [2,0,0,0,0,0|0,0,1]=3 131 B24R2.134869666 CCNNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 22a_100000756455_200160766836 [2,0,0,0,0,0|1,0,1]=4 132 B24R2.134869666 COCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000233755 [2,0,0,0,0,0|2,0,0]=4 133 B24R2.134869666 CSCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000751147 [2,0,0,0,0,0|2,0,0]=4 134 B24R2.134869666 CSCCC(C(=O)CCC#N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011215226 [2,0,0,0,0,0|1,0,1]=4 135 B24R2.134869666 CSCCC(C(=O)CCCF)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011934791 [2,0,0,0,0,0|1,0,1]=4 136 B24R2.134869666 CSCCC(C(=O)CCCO)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011215043 [2,0,0,0,0,0|0,0,1]=3 137 B24R2.134869666 CSCCC(C(=O)NCCF)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000724931_200160766836 [2,0,0,0,0,0|1,0,0]=3 138 B24R2.134869666 CSCCC(C(=O)NCCO)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000210304_200160766836 [2,0,0,0,0,0|0,0,0]=2 139 B26R2.10841685 CCC(C)CNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020588543_200160766836 [1,1,0,0,0,0|1,0,1]=4 140 B26R2.10841685 CCC(O)CNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100011218483_200160766836 [1,1,0,0,0,0|1,0,1]=4 141 B26R2.10841685 CO[C@H](C)CNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020591295_200160766836 [1,1,0,0,0,0|2,0,0]=4 142 B26R2.10841685 CSCCC(C(=O)NCC(C)CO)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000744482_200160766836 [1,1,0,0,0,0|0,0,1]=3 143 B26R2.10841685 CSCCC(C(=O)NC[C@@H](F)CO)n1c(=O)[nH]c2ccccc2c1=O 240690a_100015665980_200160766836 [1,1,0,0,0,0|0,0,1]=3 144 B26R2.10841685 CSCCC(C(=O)NC[C@H](O)CO)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020644852_200160766836 [1,1,0,0,0,0|0,0,1]=3 145 B26R2.108635575 CCCC(C)NC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000741246_200160766836 [1,1,0,0,0,0|1,0,1]=4 146 B26R2.108635575 COC[C@@H](C)NC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000764878_200160766836 [1,1,0,0,0,0|2,0,0]=4 147 B26R2.108635575 CSCCC(C(=O)N[C@@H](C)CC#N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100016994482_200160766836 [1,1,0,0,0,0|1,0,1]=4 148 B26R2.108635575 CSCCC(C(=O)N[C@H](C)CCO)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000706166_200160766836 [1,1,0,0,0,0|0,0,1]=3 149 B26R2.122420156 C#CCCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000718082_200160766836 [1,1,0,0,0,0|1,0,1]=4 150 B26R2.122420156 C=CCCCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011215482 [1,1,0,0,0,0|2,0,0]=4 151 B26R2.122420156 C=CCCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000700776_200160766836 [1,1,0,0,0,0|1,0,0]=3 152 B26R2.122420156 CCCCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000209983_200160766836 [1,1,0,0,0,0|1,0,1]=4 153 B26R2.122420156 CCCCNNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 22a_100025702795_200160766836 [1,1,0,0,0,0|1,0,1]=4 154 B26R2.122420156 CCOCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100011200944_200160766836 [1,1,0,0,0,0|1,0,1]=4 155 B26R2.122420156 CCSCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000106463_200160766836 [1,1,0,0,0,0|1,0,1]=4 156 B26R2.122420156 COCCCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000755781 [1,1,0,0,0,0|1,0,1]=4 157 B26R2.122420156 COCCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100150723488_200160766836 [1,1,0,0,0,0|0,0,1]=3 158 B26R2.122420156 COCCNNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 22a_100000741390_200160766836 [1,1,0,0,0,0|1,0,1]=4 159 B26R2.122420156 CSCCC(C(=O)CCCCCO)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000746330 [1,1,0,0,0,0|1,0,1]=4 160 B26R2.122420156 CSCCC(C(=O)CCOCCO)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011215305 [1,1,0,0,0,0|1,0,1]=4 161 B26R2.122420156 CSCCC(C(=O)NCCCCO)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000750430_200160766836 [1,1,0,0,0,0|0,0,1]=3 162 B26R2.122420156 CSCCC(C(=O)NNCCC#N)n1c(=O)[nH]c2ccccc2c1=O 22a_100000229987_200160766836 [1,1,0,0,0,0|1,0,1]=4 163 B26R2.122420156 CSCCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000749238_200160766836 [1,1,0,0,0,0|0,1,1]=4 164 B26R2.331368320 C=CCCN(C)C(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020639649_200160766836 [1,1,0,0,0,0|1,0,0]=3 165 B26R2.331368320 CCCCN(C)C(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000207549_200160766836 [1,1,0,0,0,0|1,0,1]=4 166 B26R2.331368320 COCCN(C)C(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000743101_200160766836 [1,1,0,0,0,0|2,0,0]=4 167 B26R2.331368320 CSCCC(C(=O)N(C)CCC#N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000184479_200160766836 [1,1,0,0,0,0|1,0,1]=4 168 B26R2.331368320 CSCCC(C(=O)N(C)CCCO)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000213112_200160766836 [1,1,0,0,0,0|0,0,1]=3 169 B26R2.331368320 CSCCC(C(=O)N(C)CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000686725_200160766836 [1,1,0,0,0,0|2,0,0]=4 170 B26R2.10837433 CSCCC(C(=O)NCCC(C)(C)O)N1C(=O)c2ccccc2C1=O 1626a_100000707701_100000389444 [0,1,0,0,1,0|1,0,1]=4 171 B26R2.10837433 CSCCC(C(=O)NCCC(C)(C)O)N1C(=O)c2ccccc2C1=O 527a_100000707701_100000389444 [0,1,0,0,1,0|1,0,1]=4 172 B26R2.10837433 CSCCC(C(=O)NCCS(=O)(=O)C)N1C(=O)c2ccccc2C1=O 11a_100000740961_100000389444 [0,1,0,0,1,0|1,0,1]=4 173 B26R2.10837433 CSCCC(C(=O)NCCS(=O)(=O)C)N1C(=O)c2ccccc2C1=O 1626a_100000740961_100000389444 [0,1,0,0,1,0|1,0,1]=4 174 B26R2.10837433 CSCCC(C(=O)NCCS(=O)(=O)C)N1C(=O)c2ccccc2C1=O 240690a_100000740961_100000389444 [0,1,0,0,1,0|1,0,1]=4 175 B26R2.10837433 CSCCC(C(=O)NCCS(=O)(=O)C)N1C(=O)c2ccccc2C1=O 527a_100000740961_100000389444 [0,1,0,0,1,0|1,0,1]=4 176 B26R2.10837433 CSCCC(C(=O)NCCS(=O)(=O)N)N1C(=O)c2ccccc2C1=O 240690a_100000738205_100000389444 [0,1,0,0,1,0|1,0,1]=4 177 B26R2.10837433 CSCCC(C(=O)NCCS(=O)(=O)N)N1C(=O)c2ccccc2C1=O 527a_100000738205_100000389444 [0,1,0,0,1,0|1,0,1]=4 178 B26R2.10837437 CSCCC(C(=O)N(C)CCC(=O)N)N1C(=O)c2ccccc2C1=O 11a_100000730477_100000389444 [0,1,0,0,1,0|1,0,0]=3 179 B26R2.10837437 CSCCC(C(=O)N(C)CCC(=O)N)N1C(=O)c2ccccc2C1=O 240690a_100000730477_100000389444 [0,1,0,0,1,0|1,0,0]=3 180 B26R2.10837437 CSCCC(C(=O)N(C)CCC(=O)N)N1C(=O)c2ccccc2C1=O 527a_100000730477_100000389444 [0,1,0,0,1,0|1,0,0]=3 181 B26R2.108565758 CNC(=O)CCCC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000741757 [0,1,0,0,1,0|2,0,0]=4 182 B26R2.108565758 CNC(=O)CCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 11a_100000738227_100000389444 [0,1,0,0,1,0|1,0,0]=3 183 B26R2.108565758 CNC(=O)CCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 240690a_100000738227_100000389444 [0,1,0,0,1,0|1,0,0]=3 184 B26R2.108565758 CNC(=O)CCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 527a_100000738227_100000389444 [0,1,0,0,1,0|1,0,0]=3 185 B26R2.108565758 COC(=O)CCCC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100011218270 [0,1,0,0,1,0|1,0,0]=3 186 B26R2.108565758 CSCCC(C(=O)NCCC(C)CO)N1C(=O)c2ccccc2C1=O 240690a_106354213184_100000389444 [0,1,0,0,1,0|1,0,1]=4 187 B26R2.108565758 CSCCC(C(=O)NCCC(C)CO)N1C(=O)c2ccccc2C1=O 527a_106354213184_100000389444 [0,1,0,0,1,0|1,0,1]=4 188 B26R2.10841682 CSCCC(C(=O)C(C)OC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100009818208 [0,1,0,0,1,0|2,0,0]=4 189 B26R2.10841682 CSCCC(C(=O)N(C)CC(C)O)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000227577_200160766836 [0,1,0,0,1,0|1,0,1]=4 190 B26R2.10841683 CSCCC(C(=O)CC(=O)C(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011261029 [0,1,0,0,1,0|1,0,1]=4 191 B26R2.10841683 CSCCC(C(=O)N[C@H](C)C(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000119354_200160766836 [0,1,0,0,1,0|1,0,0]=3 192 B26R2.108635574 CSCCC(C(=O)CCS(=O)(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000731031 [0,1,0,0,1,0|1,0,1]=4 193 B26R2.108635574 CSCCC(C(=O)CCS(=O)(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000762736 [0,1,0,0,1,0|1,0,1]=4 194 B26R2.108635574 CSCCC(C(=O)NCC(C)(C)O)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000751335_200160766836 [0,1,0,0,1,0|1,0,1]=4 195 B28R2.16972484 CCC(=O)NCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100132302217_200160766836 [0,1,0,0,0,1|1,0,0]=3 196 B28R2.16972484 CNC(=O)CCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000740002_200160766836 [0,1,0,0,0,1|1,0,0]=3 197 B28R2.16972484 CNC(=O)NCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100015205895_200160766836 [0,1,0,0,0,1|1,0,0]=3 198 B28R2.16972484 COC(=O)CCCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000204269 [0,1,0,0,0,1|1,0,0]=3 199 B28R2.16972484 COC(=O)CCCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 188690a_100000184769_200160766836 [0,1,0,0,0,1|0,0,0]=2 200 B28R2.16972484 COC(=O)COCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000090808 [0,1,0,0,0,1|1,0,0]=3 201 B28R2.16972485 CSCCC(C(=O)CC(C)CSC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200000116872 [0,1,0,0,0,1|2,0,0]=4 202 B28R2.261814699 CSCCC(C(=O)NCCCS(=O)(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000742409_200160766836 [0,1,0,0,0,1|1,0,1]=4 203 B28R2.261814699 CSCCC(C(=O)NCCNS(=O)(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000752411_200160766836 [0,1,0,0,0,1|1,0,1]=4 204 B28R2.261812976 CCS(=O)(=O)CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000751051_200160766836 [0,2,0,0,0,0|1,0,1]=4 205 B28R2.261812976 CNS(=O)(=O)CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000710037_200160766836 [0,2,0,0,0,0|1,0,1]=4 206 B28R2.261814540 CSCCC(C(=O)N(C)CCS(=O)(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000750128_200160766836 [0,2,0,0,0,0|1,0,1]=4 207 B28R2.261814561 CCN(CCC(=O)N)C(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100020645749_200160766836 [0,2,0,0,0,0|1,0,0]=3 208 B28R2.261814695 CNC(=O)CCN(C)C(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000750875_200160766836 [0,2,0,0,0,0|1,0,0]=3 209 B28R2.261814695 COC(=O)CCN(C)C(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100025711912_200160766836 [0,2,0,0,0,0|0,0,0]=2 210 B28R2.261812992 CSCCC(C(=O)NC(C)(C)CC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000763158_200160766836 [0,2,0,0,0,0|1,0,0]=3 211 B28R2.261814537 COC(=O)C[C@@H](C)NC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 188690a_100016994721_200160766836 [0,2,0,0,0,0|0,0,0]=2 212 B28R2.261814701 CNC(=O)C(C)CNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100015187722_200160766836 [0,2,0,0,0,0|1,0,0]=3 213 B28R2.261814701 COC(=O)C(C)CCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000034942 [0,2,0,0,0,0|1,0,0]=3 214 B28R2.261814701 COC(=O)C(O)CNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 188690a_100000695228_200160766836 [0,2,0,0,0,0|0,0,0]=2 215 B28R2.3156793144 CSCCC(C(=O)NCC(C)(C)C(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000740840_200160766836 [0,2,0,0,0,0|1,0,0]=3 216 B28R2.16972482 CCNC(=O)CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 240690a_100025743525_200160766836 [0,2,0,0,0,0|1,0,0]=3 217 B28R2.16972482 CCOC(=O)CCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011215271 [0,2,0,0,0,0|1,0,0]=3 218 B28R2.16972482 CCOC(=O)CCNC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 188690a_100000746078_200160766836 [0,2,0,0,0,0|0,0,0]=2 219 B28R2.16972482 CCOC(=O)NCCC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200011445536 [0,2,0,0,0,0|2,0,0]=4 220 B26R3.2906104 CSCCC(C(=O)N1CC=CC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100015195280_200160766836 [1,0,0,1,0,0|1,0,1]=4 221 B26R3.2906104 CSCCC(C(=O)N1CCCC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000188435_200160766836 [1,0,0,1,0,0|1,0,1]=4 222 B26R3.2906104 CSCCC(C(=O)N1CCSC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100011215254_200160766836 [1,0,0,1,0,0|2,0,0]=4 223 B26R3.19075456 CSCCC(C(=O)C1CCC1=O)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100009892977 [1,0,0,1,0,0|1,0,0]=3 224 B26R3.19075456 CSCCC(C(=O)N1CCC1C)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000755817_200160766836 [1,0,0,1,0,0|1,0,1]=4 225 B26R3.19075457 CSCCC(C(=O)N[C@@H]1C[C@@H]1F)n2c(=O)[nH]c3ccccc3c2=O 240690a_100015190264_200160766836 [1,0,0,1,0,0|1,0,1]=4 226 B26R3.19075457 CSCCC(C(=O)N[C@@H]1C[C@H]1F)n2c(=O)[nH]c3ccccc3c2=O 240690a_100025746932_200160766836 [1,0,0,1,0,0|1,0,1]=4 227 B26R3.19075458 CSCCC(C(=O)CC1CCO1)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100000103362 [1,0,0,1,0,0|1,0,1]=4 228 B26R3.19075458 CSCCC(C(=O)NC1CCC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000749019_200160766836 [1,0,0,1,0,0|1,0,1]=4 229 B26R3.19075458 CSCCC(C(=O)NC1COC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100016991112_200160766836 [1,0,0,1,0,0|2,0,0]=4 230 B26R3.19075458 CSCCC(C(=O)NC1CSC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100016994217_200160766836 [1,0,0,1,0,0|2,0,0]=4 231 B26R3.19075461 CSCCC(C(=O)CCC1CO1)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100000732470 [1,0,0,1,0,0|1,0,1]=4 232 B26R3.19075461 CSCCC(C(=O)NCC1CC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000735609_200160766836 [1,0,0,1,0,0|1,0,1]=4 233 B26R3.19073270 CSCCC(C(=O)N1CCC(C1)O)N2C(=O)c3ccccc3C2=O 240690a_100011215560_100000389444 [0,0,0,1,1,0|1,0,1]=4 234 B26R3.19073270 CSCCC(C(=O)N1CCC(C1)O)N2C(=O)c3ccccc3C2=O 527a_100011215560_100000389444 [0,0,0,1,1,0|1,0,1]=4 235 B26R3.19073270 CSCCC(C(=O)N1CNC(=O)C1)N2C(=O)c3ccccc3C2=O 11a_200000708111_100000389444 [0,0,0,1,1,0|2,0,0]=4 236 B26R3.19073270 CSCCC(C(=O)N1CNC(=O)C1)N2C(=O)c3ccccc3C2=O 1626a_200000708111_100000389444 [0,0,0,1,1,0|2,0,0]=4 237 B26R3.19073270 CSCCC(C(=O)N1CNC(=O)C1)N2C(=O)c3ccccc3C2=O 240690a_200000708111_100000389444 [0,0,0,1,1,0|2,0,0]=4 238 B26R3.19073270 CSCCC(C(=O)N1CNC(=O)C1)N2C(=O)c3ccccc3C2=O 527a_200000708111_100000389444 [0,0,0,1,1,0|2,0,0]=4 239 B26R3.163794054 C=C1CC(C1)NC(=O)C(CCSC)N2C(=O)c3ccccc3C2=O 11a_100132301982_100000389444 [0,0,0,1,1,0|2,0,0]=4 240 B26R3.163794054 C=C1CC(C1)NC(=O)C(CCSC)N2C(=O)c3ccccc3C2=O 1626a_100132301982_100000389444 [0,0,0,1,1,0|2,0,0]=4 241 B26R3.163794054 C=C1CC(C1)NC(=O)C(CCSC)N2C(=O)c3ccccc3C2=O 527a_100132301982_100000389444 [0,0,0,1,1,0|2,0,0]=4 242 B26R3.163794054 CSCCC(C(=O)CC1CC(=O)C1)N2C(=O)c3ccccc3C2=O 1458a_100000389444_100009874392 [0,0,0,1,1,0|2,0,0]=4 243 B26R3.163794054 CSCCC(C(=O)N[C@H]1C[C@@H](C1)O)N2C(=O)c3ccccc3C2=O 11a_100020629032_100000389444 [0,0,0,1,1,0|1,0,1]=4 244 B26R3.163794054 CSCCC(C(=O)N[C@H]1C[C@@H](C1)O)N2C(=O)c3ccccc3C2=O 1626a_100020629032_100000389444 [0,0,0,1,1,0|1,0,1]=4 245 B26R3.163794054 CSCCC(C(=O)N[C@H]1C[C@@H](C1)O)N2C(=O)c3ccccc3C2=O 240690a_100020629032_100000389444 [0,0,0,1,1,0|1,0,1]=4 246 B26R3.163794054 CSCCC(C(=O)N[C@H]1C[C@@H](C1)O)N2C(=O)c3ccccc3C2=O 527a_100020629032_100000389444 [0,0,0,1,1,0|1,0,1]=4 247 B26R3.19075460 CSCCC(C(=O)N1CC(C1)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000749847_200160766836 [0,0,0,1,1,0|1,0,1]=4 248 B28R3.30908305 CSCCC(C(=O)N1CCC=C(C1)C)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000725631_200160766836 [0,0,0,1,0,1|2,0,0]=4 249 B28R3.30908305 CSCCC(C(=O)N1CCCC(C1)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000211013_200160766836 [0,0,0,1,0,1|1,0,1]=4 250 B28R3.30908305 CSCCC(C(=O)N1CCNC(=O)C1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000184651_200160766836 [0,0,0,1,0,1|1,0,0]=3 251 B28R3.30908305 CSCCC(C(=O)N1CCOC(=O)C1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000131268_200160766836 [0,0,0,1,0,1|1,0,0]=3 252 B28R3.30908305 CSCCC(C(=O)N1CCOC(C1)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000688207_200160766836 [0,0,0,1,0,1|1,0,1]=4 253 B28R3.266909564 CSCCC(C(=O)CC1CNC(=O)O1)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100000181169 [0,0,0,1,0,1|1,0,0]=3 254 B28R3.266909564 CSCCC(C(=O)CC1COC(=O)O1)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100000073702 [0,0,0,1,0,1|1,0,0]=3 255 B28R3.266909564 CSCCC(C(=O)C[C@@H]1CCC(=O)N1)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100015189358 [0,0,0,1,0,1|2,0,0]=4 256 B28R3.266909564 CSCCC(C(=O)C[C@H]1COC(=O)N1)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_100015307671 [0,0,0,1,0,1|2,0,0]=4 257 B28R3.266909564 CSCCC(C(=O)NC1CNC(=O)C1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000697751_200160766836 [0,0,0,1,0,1|1,0,0]=3 258 B28R3.266909564 CSCCC(C(=O)N[C@H]1CC[C@H](C1)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100015195300_200160766836 [0,0,0,1,0,1|1,0,1]=4 259 B28R3.266909748 C=C1CC(C1)CNC(=O)C(CCSC)n2c(=O)[nH]c3ccccc3c2=O 240690a_100102567296_200160766836 [0,0,0,1,0,1|2,0,0]=4 260 B28R3.266909748 CSCCC(C(=O)NCC1CC(C1)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100016992100_200160766836 [0,0,0,1,0,1|1,0,1]=4 261 B28R3.30908310 CSCCC(C(=O)N1CCC(C1)(C)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000718628_200160766836 [0,1,0,1,0,0|1,0,1]=4 262 B28R3.266909545 CSCCC(C(=O)NC1CS(=O)(=O)C1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000695474_200160766836 [0,1,0,1,0,0|1,0,1]=4 263 B28R3.266909545 CSCCC(C(=O)N[C@H]1C[C@@](C1)(C)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100121572536_200160766836 [0,1,0,1,0,0|1,0,1]=4 264 B28R3.3461991 C=C1CCN(CC1)C(=O)C(CCSC)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000752442_200160766836 [0,1,0,1,0,0|2,0,0]=4 265 B28R3.3461991 CSCCC(C(=O)N1CC=C(CC1)C)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000693516_200160766836 [0,1,0,1,0,0|2,0,0]=4 266 B28R3.3461991 CSCCC(C(=O)N1CCC(CC1)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100025773856_200160766836 [0,1,0,1,0,0|1,0,1]=4 267 B28R3.3461991 CSCCC(C(=O)N1CCS(=O)CC1)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000752083_200160766836 [0,1,0,1,0,0|2,0,0]=4 268 B28R3.266909550 CSCCC(C(=O)N1CC(C1)C(=O)N)n2c(=O)[nH]c3ccccc3c2=O 240690a_100025753142_200160766836 [0,1,0,1,0,0|1,0,0]=3 269 B28R3.266909556 CSCCC(C(=O)N1C[C@@H]([C@H](C1)F)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100020590056_200160766836 [0,1,0,1,0,0|1,0,1]=4 270 B28R3.266909556 CSCCC(C(=O)N1C[C@H]([C@H](C1)O)C)n2c(=O)[nH]c3ccccc3c2=O 240690a_200015306588_200160766836 [0,1,0,1,0,0|1,0,1]=4 271 B28R3.266909556 CSCCC(C(=O)N1C[C@H]([C@H](C1)O)O)n2c(=O)[nH]c3ccccc3c2=O 240690a_100015207562_200160766836 [0,1,0,1,0,0|1,0,1]=4 272 B28R3.266909745 CSCCC(C(=O)CCC1CCC1=O)n2c(=O)[nH]c3ccccc3c2=O 1458a_200160766836_200016118888 [0,1,0,1,0,0|2,0,0]=4 273 B28R3.30908311 CO[C@@H]1CCN(C1)C(=O)C(CCSC)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000766984_200160766836 [0,1,0,1,0,0|1,0,1]=4 274 B28R3.30908311 CSCCC(C(=O)N1CCC(C1)CO)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000748654_200160766836 [0,1,0,1,0,0|1,0,1]=4 275 B28R3.266909539 COC(=O)C1CN1C(=O)C(CCSC)n2c(=O)[nH]c3ccccc3c2=O 240690a_200009830135_200160766836 [0,1,0,1,0,0|0,0,0]=2 276 B28R3.266909546 CO[C@H]1C[C@@H](C1)NC(=O)C(CCSC)n2c(=O)[nH]c3ccccc3c2=O 240690a_100121570643_200160766836 [0,1,0,1,0,0|1,0,1]=4 277 B28R3.266909546 CSCCC(C(=O)NC1CC(C1)CO)n2c(=O)[nH]c3ccccc3c2=O 240690a_100000095622_200160766836 [0,1,0,1,0,0|1,0,1]=4 278 B24R2.158074664 C#CCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 11a_100000755551_100000389444 [1,0,0,0,1,0|1,0,1]=4 279 B24R2.158074664 C#CCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1626a_100000755551_100000389444 [1,0,0,0,1,0|1,0,1]=4 280 B24R2.158074664 C#CCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 240690a_100000755551_100000389444 [1,0,0,0,1,0|1,0,1]=4 281 B24R2.158074664 C#CCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 527a_100000755551_100000389444 [1,0,0,0,1,0|1,0,1]=4 282 B24R2.158074664 C=CCCCC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000757094 [1,0,0,0,1,0|2,0,0]=4 283 B24R2.158074664 C=CCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 11a_100015191253_100000389444 [1,0,0,0,1,0|1,0,0]=3 284 B24R2.158074664 C=CCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1626a_100015191253_100000389444 [1,0,0,0,1,0|1,0,0]=3 285 B24R2.158074664 C=CCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 240690a_100015191253_100000389444 [1,0,0,0,1,0|1,0,0]=3 286 B24R2.158074664 C=CCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 527a_100015191253_100000389444 [1,0,0,0,1,0|1,0,0]=3 287 B24R2.158074664 C=CCNNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 22a_100020588587_100000389444 [1,0,0,0,1,0|2,0,0]=4 288 B24R2.158074664 CCCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 11a_100000102301_100000389444 [1,0,0,0,1,0|1,0,1]=4 289 B24R2.158074664 CCCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1626a_100000102301_100000389444 [1,0,0,0,1,0|1,0,1]=4 290 B24R2.158074664 CCCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 240690a_100000102301_100000389444 [1,0,0,0,1,0|1,0,1]=4 291 B24R2.158074664 CCCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 527a_100000102301_100000389444 [1,0,0,0,1,0|1,0,1]=4 292 B24R2.158074664 COCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1626a_100000209980_100000389444 [1,0,0,0,1,0|2,0,0]=4 293 B24R2.158074664 COCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 240690a_100000209980_100000389444 [1,0,0,0,1,0|2,0,0]=4 294 B24R2.158074664 COCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 527a_100000209980_100000389444 [1,0,0,0,1,0|2,0,0]=4 295 B24R2.158074664 CSCCC(C(=O)CCCCO)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000210776 [1,0,0,0,1,0|1,0,1]=4 296 B24R2.158074664 CSCCC(C(=O)NCCC#N)N1C(=O)c2ccccc2C1=O 11a_100000720768_100000389444 [1,0,0,0,1,0|1,0,1]=4 297 B24R2.158074664 CSCCC(C(=O)NCCC#N)N1C(=O)c2ccccc2C1=O 1626a_100000720768_100000389444 [1,0,0,0,1,0|1,0,1]=4 298 B24R2.158074664 CSCCC(C(=O)NCCC#N)N1C(=O)c2ccccc2C1=O 240690a_100000720768_100000389444 [1,0,0,0,1,0|1,0,1]=4 299 B24R2.158074664 CSCCC(C(=O)NCCC#N)N1C(=O)c2ccccc2C1=O 527a_100000720768_100000389444 [1,0,0,0,1,0|1,0,1]=4 300 B24R2.158074664 CSCCC(C(=O)NCCCF)N1C(=O)c2ccccc2C1=O 11a_100015189416_100000389444 [1,0,0,0,1,0|1,0,1]=4 301 B24R2.158074664 CSCCC(C(=O)NCCCF)N1C(=O)c2ccccc2C1=O 1626a_100015189416_100000389444 [1,0,0,0,1,0|1,0,1]=4 302 B24R2.158074664 CSCCC(C(=O)NCCCF)N1C(=O)c2ccccc2C1=O 240690a_100015189416_100000389444 [1,0,0,0,1,0|1,0,1]=4 303 B24R2.158074664 CSCCC(C(=O)NCCCF)N1C(=O)c2ccccc2C1=O 527a_100015189416_100000389444 [1,0,0,0,1,0|1,0,1]=4 304 B24R2.158074664 CSCCC(C(=O)NCCCO)N1C(=O)c2ccccc2C1=O 240690a_100000182051_100000389444 [1,0,0,0,1,0|0,0,1]=3 305 B24R2.158074664 CSCCC(C(=O)NCCCO)N1C(=O)c2ccccc2C1=O 527a_100000182051_100000389444 [1,0,0,0,1,0|0,0,1]=3 306 B24R2.158074664 CSCCC(C(=O)NNCCO)N1C(=O)c2ccccc2C1=O 22a_100000210001_100000389444 [1,0,0,0,1,0|1,0,1]=4 307 B24R2.158074664 CSCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 11a_100020590264_100000389444 [1,0,0,0,1,0|2,0,0]=4 308 B24R2.158074664 CSCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1626a_100020590264_100000389444 [1,0,0,0,1,0|2,0,0]=4 309 B24R2.158074664 CSCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 240690a_100020590264_100000389444 [1,0,0,0,1,0|2,0,0]=4 310 B24R2.158074664 CSCCNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 527a_100020590264_100000389444 [1,0,0,0,1,0|2,0,0]=4 311 B24R2.6876656 C=C(C)CCC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000730704 [0,0,0,0,2,0|2,0,0]=4 312 B24R2.6876656 C=C(C)CNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 11a_100000765925_100000389444 [0,0,0,0,2,0|2,0,0]=4 313 B24R2.6876656 C=C(C)CNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 1626a_100000765925_100000389444 [0,0,0,0,2,0|2,0,0]=4 314 B24R2.6876656 C=C(C)CNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 240690a_100000765925_100000389444 [0,0,0,0,2,0|2,0,0]=4 315 B24R2.6876656 C=C(C)CNC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O 527a_100000765925_100000389444 [0,0,0,0,2,0|2,0,0]=4 316 B24R2.6876656 CSCCC(C(=O)CCC(C)O)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100012276601 [0,0,0,0,2,0|1,0,1]=4 317 B24R2.6876656 CSCCC(C(=O)NCC(=O)N)N1C(=O)c2ccccc2C1=O 11a_100000711301_100000389444 [0,0,0,0,2,0|1,0,0]=3 318 B24R2.6876656 CSCCC(C(=O)NCC(=O)N)N1C(=O)c2ccccc2C1=O 240690a_100000711301_100000389444 [0,0,0,0,2,0|1,0,0]=3 319 B24R2.6876656 CSCCC(C(=O)NCC(=O)N)N1C(=O)c2ccccc2C1=O 527a_100000711301_100000389444 [0,0,0,0,2,0|1,0,0]=3 320 B24R2.6876656 CSCCC(C(=O)NCC(C)O)N1C(=O)c2ccccc2C1=O 11a_100000210904_100000389444 [0,0,0,0,2,0|1,0,1]=4 321 B24R2.6876656 CSCCC(C(=O)NCC(C)O)N1C(=O)c2ccccc2C1=O 240690a_100000210904_100000389444 [0,0,0,0,2,0|1,0,1]=4 322 B24R2.6876656 CSCCC(C(=O)NCC(C)O)N1C(=O)c2ccccc2C1=O 527a_100000210904_100000389444 [0,0,0,0,2,0|1,0,1]=4 323 B24R2.6876656 CSCCC(C(=O)NNC(=O)C)N1C(=O)c2ccccc2C1=O 22a_100000189765_100000389444 [0,0,0,0,2,0|2,0,0]=4 324 B24R2.6879534 C=C(C)CC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000748629 [0,0,0,0,2,0|2,0,0]=4 325 B24R2.6879534 C=C(F)CC(=O)C(CCSC)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100009893438 [0,0,0,0,2,0|2,0,0]=4 326 B24R2.6879534 CSCCC(C(=O)CC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000187820 [0,0,0,0,2,0|1,0,0]=3 327 B24R2.6879534 CSCCC(C(=O)CC(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100020667443 [0,0,0,0,2,0|0,0,1]=3 328 B24R2.6879534 CSCCC(C(=O)CC(C)O)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100011218427 [0,0,0,0,2,0|1,0,1]=4 329 B24R2.6879534 CSCCC(C(=O)C[N+](=O)[O-])n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000761209 [0,0,0,0,2,0|1,0,1]=4 330 B26R2.10837436 CSCCC(C(=O)CCCCC(=O)C)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000735457 [0,0,0,0,1,1|2,0,0]=4 331 B26R2.10837436 CSCCC(C(=O)CCCOC(=O)C)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000042594 [0,0,0,0,1,1|2,0,0]=4 332 B26R2.10837436 CSCCC(C(=O)CCCSC(=O)C)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000038929 [0,0,0,0,1,1|2,0,0]=4 333 B26R2.10837436 CSCCC(C(=O)CCOCC(=O)N)N1C(=O)c2ccccc2C1=O 1458a_100000389444_100000076697 [0,0,0,0,1,1|2,0,0]=4 334 B26R2.10837436 CSCCC(C(=O)NCCCC(=O)N)N1C(=O)c2ccccc2C1=O 240690a_100000739312_100000389444 [0,0,0,0,1,1|1,0,0]=3 335 B26R2.10837436 CSCCC(C(=O)NCCCC(=O)N)N1C(=O)c2ccccc2C1=O 527a_100000739312_100000389444 [0,0,0,0,1,1|1,0,0]=3 336 B26R2.10837436 CSCCC(C(=O)NCCCS(=O)C)N1C(=O)c2ccccc2C1=O 11a_200000753449_100000389444 [0,0,0,0,1,1|2,0,0]=4 337 B26R2.10837436 CSCCC(C(=O)NCCCS(=O)C)N1C(=O)c2ccccc2C1=O 240690a_200000753449_100000389444 [0,0,0,0,1,1|2,0,0]=4 338 B26R2.10837436 CSCCC(C(=O)NCCCS(=O)C)N1C(=O)c2ccccc2C1=O 527a_200000753449_100000389444 [0,0,0,0,1,1|2,0,0]=4 339 B26R2.10837436 CSCCC(C(=O)NCCNC(=O)C)N1C(=O)c2ccccc2C1=O 240690a_100000209853_100000389444 [0,0,0,0,1,1|1,0,0]=3 340 B26R2.10837436 CSCCC(C(=O)NCCNC(=O)C)N1C(=O)c2ccccc2C1=O 527a_100000209853_100000389444 [0,0,0,0,1,1|1,0,0]=3 341 B26R2.10837436 CSCCC(C(=O)NCCNC(=O)N)N1C(=O)c2ccccc2C1=O 240690a_100020590234_100000389444 [0,0,0,0,1,1|1,0,0]=3 342 B26R2.10837436 CSCCC(C(=O)NCCNC(=O)N)N1C(=O)c2ccccc2C1=O 527a_100020590234_100000389444 [0,0,0,0,1,1|1,0,0]=3 343 B26R2.10837436 CSCCC(C(=O)NCCOC(=O)C)N1C(=O)c2ccccc2C1=O 11a_100000724843_100000389444 [0,0,0,0,1,1|1,0,0]=3 344 B26R2.10837436 CSCCC(C(=O)NCCOC(=O)C)N1C(=O)c2ccccc2C1=O 240690a_100000724843_100000389444 [0,0,0,0,1,1|1,0,0]=3 345 B26R2.10837436 CSCCC(C(=O)NCCOC(=O)C)N1C(=O)c2ccccc2C1=O 527a_100000724843_100000389444 [0,0,0,0,1,1|1,0,0]=3 346 B26R2.10837436 CSCCC(C(=O)NCCSC(=O)C)N1C(=O)c2ccccc2C1=O 11a_100020647217_100000389444 [0,0,0,0,1,1|1,0,0]=3 347 B26R2.10837436 CSCCC(C(=O)NCCSC(=O)C)N1C(=O)c2ccccc2C1=O 240690a_100020647217_100000389444 [0,0,0,0,1,1|1,0,0]=3 348 B26R2.10837436 CSCCC(C(=O)NCCSC(=O)C)N1C(=O)c2ccccc2C1=O 527a_100020647217_100000389444 [0,0,0,0,1,1|1,0,0]=3 349 B28R2.16972483 CSCCC(C(=O)CCCCCC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100009817443 [0,0,0,0,0,2|2,0,0]=4 350 B28R2.16972483 CSCCC(C(=O)CCCCOC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_100000033659 [0,0,0,0,0,2|2,0,0]=4 351 B28R2.16972483 CSCCC(C(=O)CCCCSC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 1458a_200160766836_200010402107 [0,0,0,0,0,2|2,0,0]=4 352 B28R2.16972483 CSCCC(C(=O)NCCCCC(=O)N)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000696515_200160766836 [0,0,0,0,0,2|1,0,0]=3 353 B28R2.16972483 CSCCC(C(=O)NCCCNC(=O)C)n1c(=O)[nH]c2ccccc2c1=O 240690a_100000736810_200160766836 [0,0,0,0,0,2|1,0,0]=3