Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 CCCCCCCCCC[N+](CCO)(CCCNC(=O)C(C(C(C(CO)O)O)O)O)C 0.073 0.238 0.0 0.369 0.021 0.169 0.005 0.012 0.306 0.001 0.172 Compound_2 CCCCCCCCCC[N+](CCO)C 0.065 0.124 0.05 0.12 0.017 0.041 0.0 0.129 0.388 0.409 0.212 Compound_3 CCCCCCCCCC[N+](CCO)(CCO)CCO 0.544 0.304 0.097 0.574 0.063 0.723 0.727 0.374 0.95 0.008 0.208 Compound_4 CCCCCCCCCC[N+](CCO)CCO 0.06 0.121 0.13 0.118 0.026 0.152 0.001 0.347 0.693 0.178 0.237 Compound_5 CCCCCCCCCC[N+]1CCCCC1 0.321 0.274 0.054 0.105 0.012 0.176 0.008 0.775 0.574 0.551 0.047 Compound_6 CCCCCCCCCC[N+]CCO 0.049 0.127 0.093 0.558 0.022 0.036 0.0 0.261 0.297 0.744 0.141 Compound_7 CCCCCCCCCCc1cc[nH+]cc1 0.53 0.301 0.343 0.542 0.104 0.68 0.0 0.973 0.969 0.939 0.328 Compound_8 CCCCCCCCCCn1cc[n+](c1)C 0.952 0.899 0.136 0.791 0.785 0.898 0.107 0.996 0.962 0.722 0.47 Compound_9 CCCCCCCCC[N+](CCO)(CCO)CCO 0.544 0.304 0.097 0.574 0.046 0.585 0.008 0.374 0.95 0.008 0.208 Compound_10 CCCCCCCCC[N+](CCO)CCO 0.06 0.121 0.13 0.118 0.026 0.049 0.0 0.347 0.693 0.178 0.237 Compound_11 CCCCCCCCC[N+]CCO 0.049 0.127 0.093 0.558 0.022 0.036 0.0 0.261 0.297 0.744 0.141 Compound_12 CCCCCCCCNC(=O)CC[N+](CCC(=O)NCCCCCCCC)(C)C 0.221 0.275 0.006 0.347 0.014 0.183 0.29 0.027 0.465 0.009 0.26 Compound_13 CCCCCCCCOC(=O)CC(C(=O)OCCCCCC)[N+] 0.255 0.088 0.114 0.731 0.101 0.051 0.346 0.781 0.528 0.913 0.5 Compound_14 CCCCCCCCOC(=O)C[n+]1cccc(c1)N=Cc1ccc(c(c1)OC)O 0.644 0.691 0.517 0.774 0.402 0.261 0.007 0.626 0.677 0.239 0.631 Compound_15 CCCCCCCC[N+](C)(C)C 0.929 0.689 0.042 0.664 0.04 0.373 0.024 0.767 0.623 0.082 0.238 Compound_16 CCCCCCCC[N+](CCN=Cc1ccc(c(c1)OC)OC)(C)C 0.333 0.488 0.118 0.664 0.037 0.546 0.023 0.048 0.587 0.028 0.199 Compound_17 CCCCCCCC[N+](CCOC)(C)C 0.655 0.45 0.039 0.65 0.034 0.151 0.018 0.215 0.824 0.041 0.217 Compound_18 CCCCCCCC[N+](CCO)(C)C 0.538 0.358 0.01 0.568 0.032 0.236 0.004 0.138 0.55 0.054 0.157 Compound_19 CCCCCCCC[N+](c1ccc(cc1)C=Nc1c(=O)n(n(c1C)C)c1ccccc1)(C)C 0.552 0.64 0.002 0.399 0.311 0.885 0.307 0.202 0.441 0.321 0.261 Compound_20 CCCCCCCC[n+]1ccc(cc1)C 0.859 0.478 0.398 0.639 0.027 0.681 0.001 0.987 0.801 0.612 0.16 Compound_21 CCCCCCCC[n+]1cccc(c1)C 0.787 0.478 0.856 0.709 0.025 0.675 0.001 0.962 0.905 0.612 0.16 Compound_22 CCCCCCCC[n+]1ccccc1 0.946 0.599 0.433 0.69 0.054 0.643 0.036 0.997 1.0 0.617 0.195 Compound_23 CCCCCCCC[n+]1ccccc1C 0.521 0.48 0.177 0.669 0.08 0.753 0.01 0.993 0.986 0.479 0.289 Compound_24 CCCCCCOC(=O)CC(C(=O)OCCCCCC)[N+] 0.129 0.088 0.114 0.731 0.08 0.052 0.226 0.781 0.522 0.913 0.5 Compound_25 OCC[N+](CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(C)C 0.042 0.258 0.003 0.502 0.061 0.367 0.578 0.091 0.096 0.004 0.235 Compound_26 C[N+]1(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCC1 0.201 0.475 0.006 0.579 0.057 0.368 0.972 0.444 0.411 0.009 0.308 Compound_27 Cn1cc[n+](c1)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 0.347 0.431 0.009 0.508 0.733 0.552 0.652 0.749 0.747 0.004 0.292 Compound_28 C(CCCCC[n+]1ccc(cc1)N=Cc1ccccc1)CCCCCC[n+]1ccc(cc1)N=Cc1ccccc1 0.526 0.564 0.532 0.646 0.609 0.977 0.237 0.835 0.618 0.265 0.486 Compound_29 C(CC[n+]1ccc(cc1)N=Cc1ccccc1)CCC[n+]1ccc(cc1)N=Cc1ccccc1 0.406 0.564 0.532 0.646 0.486 0.974 0.374 0.835 0.605 0.265 0.486 Compound_30 c1ccc(cc1)C=Nc1cc[n+](cc1)CC[n+]1ccc(cc1)N=Cc1ccccc1 0.18 0.655 0.759 0.625 0.435 0.938 0.551 0.713 0.602 0.064 0.675 Compound_31 CCCCCCCCCCCC[N+](CC(C[N+](CCCCCCCCCCCC)(C)C)OC(=O)C=C)(C)C 0.614 0.273 0.032 0.637 0.717 0.699 0.646 0.928 0.819 0.353 0.314 Compound_32 CCCCCCCCCCCCCC[N+](CC(C[N+](CCCCCCCCCCCCCC)(C)C)OC(=O)C=C)(C)C 0.614 0.273 0.032 0.637 0.717 0.699 0.646 0.928 0.819 0.353 0.314 Compound_33 CCCCCCCCCCCCCCCC[N+](CC(C[N+](CCCCCCCCCCCCCCCC)(C)C)OC(=O)C=C)(C)C 0.614 0.273 0.032 0.637 0.717 0.699 0.646 0.928 0.819 0.353 0.314 Compound_34 CCCCCCCCCCCC[N+](CC(C[N+](CCCCCCCCCCCC)(C)C)OC(C=C)O)(C)C 0.417 0.338 0.011 0.619 0.455 0.697 0.028 0.934 0.644 0.048 0.315 Compound_35 NCCNCC[N+]1(CCCCCC[N+]2(CCNCCN)CCN=C2CCCCCCC)CCN=C1CCCCCCC 0.106 0.493 0.021 0.472 0.094 0.69 0.051 0.031 0.675 0.02 0.262 Compound_36 CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC=CC[N+](CCCNC(=O)CCCCCCCCC=CCCCCCCC)(C)C)(C)C 0.363 0.275 0.007 0.407 0.071 0.36 0.534 0.632 0.425 0.044 0.291 Compound_37 CCCCCCCCC(=O)NCCC[N+](CC(C[N+](CCCNC(=O)CCCCCCCC)(C)C)O)(C)C 0.108 0.201 0.001 0.347 0.017 0.216 0.006 0.042 0.379 0.002 0.159 Compound_38 CCCCCCCCC(=O)N[N+](CCC[N+](NC(=O)CCCCCCCC)(C)C)(C)C 0.169 0.258 0.007 0.445 0.048 0.408 0.304 0.169 0.411 0.091 0.362 Compound_39 CCCCCCCCC(=O)OCCCCCC[N+](CC(C[N+](CCCCCCOC(=O)CCCCCCCC)(C)C)O)(C)C 0.319 0.176 0.004 0.778 0.058 0.22 0.036 0.055 0.17 0.013 0.226 Compound_40 CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CCCCCC[N+](CCCNC(=O)CCCCCCCC=CCCCCCCCC)(C)C)(C)C 0.559 0.275 0.007 0.402 0.07 0.358 0.428 0.451 0.424 0.044 0.291 Compound_41 CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CCCC[N+](CCCNC(=O)CCCCCCCC=CCCCCCCCC)(C)C)(C)C 0.512 0.275 0.007 0.402 0.07 0.358 0.428 0.451 0.424 0.044 0.291 Compound_42 CCCCCCCCCC(=O)N[N+](CCC[N+](NC(=O)CCCCCCCCC)(C)C)(C)C 0.169 0.258 0.007 0.445 0.048 0.408 0.304 0.169 0.411 0.091 0.362 Compound_43 CCCCCCN(CC(C[N+](C(COC(=O)CCCCCCCCC)C)(C)C)O)CC(C[N+](C(COC(=O)CCCCCCCCC)C)(C)C)O 0.202 0.192 0.004 0.306 0.066 0.207 0.028 0.029 0.169 0.021 0.276 Compound_44 CCCCCCCCN(CC(C[N+](C(COC(=O)CCCCCCCCC)C)(C)C)O)CC(C[N+](C(COC(=O)CCCCCCCCC)C)(C)C)O 0.232 0.192 0.004 0.306 0.066 0.207 0.028 0.029 0.169 0.021 0.276 Compound_45 CCCCN(CC(C[N+](CCCOC(=O)CCCCCCCCC)(C)C)O)CC(C[N+](CCCOC(=O)CCCCCCCCC)(C)C)O 0.138 0.164 0.002 0.327 0.068 0.166 0.036 0.026 0.27 0.012 0.253 Compound_46 CCCCCN(CC(C[N+](CCCOC(=O)CCCCCCCCC)(C)C)O)CC(C[N+](CCCOC(=O)CCCCCCCCC)(C)C)O 0.174 0.164 0.002 0.327 0.058 0.201 0.036 0.026 0.276 0.012 0.253 Compound_47 CCCCCCN(CC(C[N+](CCCOC(=O)CCCCCCCCC)(C)C)O)CC(C[N+](CCCOC(=O)CCCCCCCCC)(C)C)O 0.225 0.164 0.002 0.327 0.058 0.201 0.036 0.026 0.276 0.012 0.253 Compound_48 CCCCCCCCN(CC(C[N+](CCCOC(=O)CCCCCCCCC)(C)C)O)CC(C[N+](CCCOC(=O)CCCCCCCCC)(C)C)O 0.256 0.164 0.002 0.327 0.058 0.201 0.036 0.026 0.276 0.012 0.253 Compound_49 CCCCCCCCCC(c1cc(C)cc(c1)C)CCCCCCCC[N+](CCCCCC[N+](CCCCCCCCC(c1cc(C)cc(c1)C)CCCCCCCCC)(C)C)(C)C 0.475 0.573 0.047 0.606 0.044 0.742 0.117 0.285 0.83 0.02 0.127 Compound_50 CCCCCCCCCC(c1cc(C)cc(c1)C)CCCCCCCC[N+](CCC[N+](CCCCCCCCC(c1cc(C)cc(c1)C)CCCCCCCCC)(C)C)(C)C 0.419 0.596 0.044 0.584 0.038 0.77 0.114 0.32 0.83 0.02 0.115 Compound_51 CCCCCCCCCCC(=O)N[N+](CCC[N+](NC(=O)CCCCCCCCCC)(C)C)(C)C 0.169 0.258 0.007 0.445 0.048 0.408 0.304 0.169 0.411 0.091 0.362 Compound_52 CCCCCCCCCCC(=O)OCCCC[N+](CC(C[N+](CCCCOC(=O)CCCCCCCCCC)(C)C)O)(C)C 0.275 0.176 0.004 0.778 0.073 0.182 0.036 0.055 0.145 0.013 0.226 Compound_53 CCCCCCCCCCC(=O)OCC[N+](CC(C[N+](CCOC(=O)CCCCCCCCCC)(C)C)O)(C)C 0.09 0.176 0.005 0.728 0.084 0.091 0.053 0.026 0.158 0.013 0.226 Compound_54 CCCCCCCCCCC([n+]1ccn(c1)C)CSCCCCSCC([n+]1ccn(c1)C)CCCCCCCCCC 0.118 0.526 0.065 0.572 0.353 0.734 0.352 0.765 0.416 0.472 0.57 Compound_55 CCCCCCCCCCC([n+]1ccn(c1)C)CSCCCSCC([n+]1ccn(c1)C)CCCCCCCCCC 0.116 0.526 0.08 0.547 0.353 0.734 0.352 0.709 0.429 0.472 0.57 Compound_56 CCCCCCCCCCC([n+]1ccccc1)CSCCSCC([n+]1ccccc1)CCCCCCCCCC 0.658 0.547 0.381 0.613 0.357 0.949 0.812 0.959 0.733 0.301 0.652 Compound_57 CCCCCCCCCCC([n+]1ccn(c1)C)CSCCSCC([n+]1ccn(c1)C)CCCCCCCCCC 0.1 0.526 0.08 0.564 0.353 0.734 0.352 0.707 0.44 0.472 0.57 Compound_58 CCCCCCCCCCC(Cn1cc[n+](c1)CCCCCCCC[n+]1ccn(c1)CC(CCCCCCCCCC)O)O 0.315 0.539 0.055 0.662 0.562 0.673 0.084 0.647 0.318 0.082 0.336 Compound_59 CCCCCCCCCCC(Cn1cc[n+](c1)CCCCCC[n+]1ccn(c1)CC(CCCCCCCCCC)O)O 0.319 0.539 0.055 0.662 0.562 0.673 0.084 0.647 0.318 0.082 0.336 Compound_60 CCCCCCCCCCC(Cn1cc[n+](c1)CCCCC[n+]1ccn(c1)CC(CCCCCCCCCC)O)O 0.359 0.539 0.055 0.662 0.562 0.673 0.084 0.647 0.318 0.082 0.336 Compound_61 CCCCCCCCCCC(Cn1cc[n+](c1)CCCC[n+]1ccn(c1)CC(CCCCCCCCCC)O)O 0.342 0.539 0.055 0.662 0.562 0.673 0.084 0.647 0.318 0.082 0.336 Compound_62 CCCCCCCCCCC(Cn1cc[n+](c1)CCC[n+]1ccn(c1)CC(CCCCCCCCCC)O)O 0.388 0.549 0.055 0.672 0.543 0.671 0.098 0.647 0.318 0.067 0.346 Compound_63 CCCCCCCCCCCC(=O)NC(C(=O)NCCCCCCCCCNC(=O)C(NC(=O)CCCCCCCCCCC)CCCNC(=[N+])N)CCCNC(=[N+])N 0.102 0.138 0.126 0.288 0.09 0.832 0.069 0.072 0.411 0.159 0.162 Compound_64 CCCCCCCCCCCC(=O)NC(C(=O)NCCCCCCNC(=O)C(NC(=O)CCCCCCCCCCC)CCCNC(=[N+])N)CCCNC(=[N+])N 0.11 0.138 0.126 0.288 0.09 0.832 0.069 0.072 0.42 0.159 0.162 Compound_65 CCCCCCCCCCCC(=O)NC(C(=O)NCCCNC(=O)C(NC(=O)CCCCCCCCCCC)CCCNC(=[N+])N)CCCNC(=[N+])N 0.109 0.168 0.087 0.298 0.083 0.838 0.067 0.086 0.398 0.132 0.167 Compound_66 CCCCCCCCCCCC(=O)NCCC[N+](CC=CC[N+](CCCNC(=O)CCCCCCCCCC)(C)C)(C)C 0.166 0.275 0.007 0.408 0.088 0.243 0.534 0.673 0.425 0.044 0.291 Compound_67 CCCCCCCCCCCC(=O)NCCC[N+](CCCCCC[N+](CCCNC(=O)CCCCCCCCCCC)(C)C)(C)C 0.267 0.275 0.005 0.33 0.021 0.284 0.376 0.029 0.416 0.009 0.256 Compound_68 CCCCCCCCCCCC(=O)NCCC[N+](Cc1ccc(cc1)C[N+](CCCNC(=O)CCCCCCCCCCC)(C)C)(C)C 0.18 0.397 0.014 0.321 0.005 0.655 0.253 0.078 0.417 0.003 0.185 Compound_69 CCCCCCCCCCCC(=O)N[N+](CCC[N+](NC(=O)CCCCCCCCCCC)(C)C)(C)C 0.169 0.258 0.007 0.445 0.048 0.408 0.304 0.169 0.411 0.091 0.362 Compound_70 CCCCCN(CC(C[N+](C(COC(=O)CCCCCCCCCCC)C)(C)C)O)CC(C[N+](C(COC(=O)CCCCCCCCCCC)C)(C)C)O 0.157 0.192 0.004 0.306 0.066 0.207 0.028 0.029 0.169 0.021 0.276 Compound_71 CCCCCCN(CC(C[N+](C(COC(=O)CCCCCCCCCCC)C)(C)C)O)CC(C[N+](C(COC(=O)CCCCCCCCCCC)C)(C)C)O 0.202 0.192 0.004 0.306 0.066 0.207 0.028 0.029 0.169 0.021 0.276 Compound_72 CCCCCCCCN(CC(C[N+](C(COC(=O)CCCCCCCCCCC)C)(C)C)O)CC(C[N+](C(COC(=O)CCCCCCCCCCC)C)(C)C)O 0.232 0.192 0.004 0.306 0.066 0.207 0.028 0.029 0.169 0.021 0.276 Compound_73 CCCCCCCCCCCC(=O)OCC(C[n+]1ccn(c1)C)(C[n+]1ccn(c1)C)COC(=O)CCCCCCCCCCC 0.113 0.488 0.037 0.65 0.13 0.659 0.26 0.262 0.239 0.306 0.866 Compound_74 CCCCN(CC(C[N+](CCCOC(=O)CCCCCCCCCCC)(C)C)O)CC(C[N+](CCCOC(=O)CCCCCCCCCCC)(C)C)O 0.138 0.164 0.002 0.327 0.068 0.166 0.036 0.026 0.27 0.012 0.253 Compound_75 CCCCCN(CC(C[N+](CCCOC(=O)CCCCCCCCCCC)(C)C)O)CC(C[N+](CCCOC(=O)CCCCCCCCCCC)(C)C)O 0.174 0.164 0.002 0.327 0.058 0.201 0.036 0.026 0.276 0.012 0.253 Compound_76 CCCCCCN(CC(C[N+](CCCOC(=O)CCCCCCCCCCC)(C)C)O)CC(C[N+](CCCOC(=O)CCCCCCCCCCC)(C)C)O 0.225 0.164 0.002 0.327 0.058 0.201 0.036 0.026 0.276 0.012 0.253 Compound_77 CCCCCCCCN(CC(C[N+](CCCOC(=O)CCCCCCCCCCC)(C)C)O)CC(C[N+](CCCOC(=O)CCCCCCCCCCC)(C)C)O 0.256 0.164 0.002 0.327 0.058 0.201 0.036 0.026 0.276 0.012 0.253 Compound_78 CCCCCCCCCCCC(=O)OCC[N+](CC(C[N+](CCOC(=O)CCCCCCC)(C)C)O)(C)C 0.09 0.176 0.005 0.728 0.05 0.075 0.047 0.026 0.242 0.013 0.226 Compound_79 CCCCCCCCCCCC(=O)OCC[N+](CC(C[N+](CCOC(=O)CCCCCCCCC)(C)C)O)(C)C 0.09 0.176 0.005 0.728 0.084 0.091 0.053 0.026 0.158 0.013 0.226 Compound_80 CCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC[n+]1cccc3c1c(ccc3)OC(=O)CCCCCCCCCCC)ccc2 0.77 0.725 0.43 0.718 0.486 0.654 0.884 0.989 0.085 0.95 0.931 Compound_81 CCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCC[n+]1cccc3c1c(ccc3)OC(=O)CCCCCCCCCCC)ccc2 0.76 0.725 0.43 0.718 0.486 0.654 0.884 0.989 0.085 0.95 0.931 Compound_82 CCCCCCCCCCCC([N+](CCCCCCCCCCCC[N+](C(CCCCCCCCCCC)C)(C)C)(C)C)C 0.924 0.679 0.042 0.65 0.084 0.848 0.933 0.767 0.73 0.101 0.276 Compound_83 CCCCCCCCCCCC([N+](CCCCCCCCCC[N+](C(CCCCCCCCCCC)C)(C)C)(C)C)C 0.924 0.679 0.042 0.65 0.084 0.848 0.933 0.767 0.73 0.101 0.276 Compound_84 CCCCCCCCCCCC([N+](CCCCCCCC[N+](C(CCCCCCCCCCC)C)(C)C)(C)C)C 0.924 0.679 0.042 0.65 0.084 0.848 0.933 0.767 0.73 0.101 0.276 Compound_85 CCCCCCCCCCCC([N+](CCCCCC[N+](C(CCCCCCCCCCC)C)(C)C)(C)C)C 0.927 0.679 0.042 0.65 0.084 0.848 0.933 0.767 0.73 0.101 0.276 Compound_86 CCCCCCCCCCCC([N+](CCCCC[N+](C(CCCCCCCCCCC)C)(C)C)(C)C)C 0.924 0.679 0.042 0.65 0.084 0.848 0.933 0.767 0.73 0.101 0.276 Compound_87 CCCCCCCCCCCC([N+](CCCC[N+](C(CCCCCCCCCCC)C)(C)C)(C)C)C 0.896 0.679 0.042 0.65 0.084 0.848 0.933 0.767 0.73 0.101 0.276 Compound_88 CCCCCCCCCCCC([N+](CCC[N+](C(CCCCCCCCCCC)C)(C)C)(C)C)C 0.858 0.679 0.038 0.601 0.073 0.866 0.92 0.793 0.73 0.101 0.251 Compound_89 NCCNCC[N+]1(CCCCCC[N+]2(CCNCCN)CCN=C2CCCCCCCCCCC)CCN=C1CCCCCCCCCCC 0.114 0.493 0.021 0.472 0.094 0.69 0.051 0.031 0.719 0.02 0.262 Compound_90 CCCCCCCCCCCCC(=O)NCCC[N+](CC(C[N+](CCCNC(=O)CCCCCCCCCCCC)(C)C)O)(C)C 0.108 0.201 0.001 0.347 0.031 0.243 0.009 0.042 0.379 0.002 0.159 Compound_91 CCCCCCCCCCCCC(=O)NCC[N+](CC(C[N+](CCNC(=O)CCCCCCCCCCCC)(C)C)O)(C)C 0.048 0.201 0.001 0.387 0.032 0.226 0.009 0.04 0.315 0.001 0.173 Compound_92 CCCCCCCCCCCCC(=O)N[N+](CCC[N+](NC(=O)CCCCCCCCCCCC)(C)C)(C)C 0.169 0.258 0.007 0.445 0.066 0.431 0.304 0.169 0.411 0.091 0.362 Compound_93 CCCCCCCCCCCCC(=O)OCC[N+](CC(C[N+](CCOC(=O)CCCCCCCCCCCC)(C)C)O)(C)C 0.09 0.176 0.005 0.728 0.084 0.091 0.053 0.026 0.158 0.013 0.226 Compound_94 CCCCCCCCCCCCC(=O)OCC[N+](CCCC[N+](CCOC(=O)CCCCCCCCCCCC)(C)C)(C)C 0.108 0.267 0.039 0.781 0.081 0.096 0.865 0.05 0.267 0.03 0.282 Compound_95 CCCCCCCCCCCCC(=O)OCC[n+]1ccc(cc1)CCCc1cc[n+](cc1)CCOC(=O)CCCCCCCCCCCC 0.491 0.599 0.283 0.712 0.041 0.678 0.138 0.926 0.363 0.923 0.696 Compound_96 CCCCCCCCCCCCC([n+]1ccn(c1)C)CSCCCCSCC([n+]1ccn(c1)C)CCCCCCCCCCCC 0.118 0.526 0.065 0.572 0.353 0.734 0.352 0.765 0.416 0.472 0.57 Compound_97 CCCCCCCCCCCCC([n+]1ccn(c1)C)CSCCCSCC([n+]1ccn(c1)C)CCCCCCCCCCCC 0.116 0.526 0.08 0.547 0.353 0.734 0.352 0.709 0.429 0.472 0.57 Compound_98 CCCCCCCCCCCCC([n+]1ccccc1)CSCCSCC([n+]1ccccc1)CCCCCCCCCCCC 0.658 0.547 0.381 0.613 0.357 0.949 0.812 0.959 0.733 0.301 0.652 Compound_99 CCCCCCCCCCCCC([n+]1ccn(c1)C)CSCCSCC([n+]1ccn(c1)C)CCCCCCCCCCCC 0.1 0.526 0.08 0.564 0.353 0.734 0.352 0.707 0.44 0.472 0.57 Compound_100 CCCCCCCCCCCCC(C(C[N+](C)(C)C)CCCCCCCCCCCC)C[N+](C)(C)C 0.937 0.702 0.029 0.546 0.067 0.52 0.407 0.371 0.555 0.398 0.24 Compound_101 CCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccc(cc1)C[N+](CCCNC(=O)CCCCCCCCCCCCC)(C)C)(C)C 0.18 0.397 0.014 0.321 0.005 0.655 0.253 0.078 0.417 0.003 0.185 Compound_102 CCCCCCCCCCCCCC(=O)N[N+](CCC[N+](NC(=O)CCCCCCCCCCCCC)(C)C)(C)C 0.169 0.258 0.007 0.445 0.066 0.431 0.304 0.169 0.411 0.091 0.362 Compound_103 CCCCCCCCCCCCCC(=O)OCC(C[n+]1ccn(c1)C)(C[n+]1ccn(c1)C)COC(=O)CCCCCCCCCCCCC 0.113 0.488 0.037 0.65 0.13 0.659 0.26 0.262 0.239 0.306 0.866 Compound_104 CCCCCCCCCCCCCC(=O)OCC[N+](CC(C[N+](CCOC(=O)CCCCCCCCCCC)(C)C)O)(C)C 0.09 0.176 0.005 0.728 0.084 0.091 0.053 0.026 0.158 0.013 0.226 Compound_105 CCCCCCCCCCCCCC(=O)OCC[N+](CCO)(CCCCCCCCCCCC[N+](CCOC(=O)CCCCCCCCCCCCC)(CCO)C)C 0.169 0.168 0.009 0.708 0.074 0.183 0.354 0.131 0.112 0.006 0.256 Compound_106 CCCCCCCCCCCCCC(=O)OCC[N+](CCO)(CCCCCC[N+](CCOC(=O)CCCCCCCCCCCCC)(CCO)C)C 0.136 0.168 0.009 0.708 0.074 0.183 0.354 0.131 0.112 0.006 0.256 Compound_107 CCCCCCCCCCCCCC(=O)OCC[N+](CC[N+](CCOC(=O)CCCCCCCCCCCCC)(CCO)C)(CCO)C 0.07 0.168 0.009 0.672 0.107 0.081 0.051 0.141 0.126 0.006 0.277 Compound_108 CCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC[n+]1cccc3c1c(ccc3)OC(=O)CCCCCCCCCCCCC)ccc2 0.77 0.725 0.43 0.718 0.486 0.654 0.884 0.989 0.085 0.95 0.931 Compound_109 CCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCC[n+]1cccc3c1c(ccc3)OC(=O)CCCCCCCCCCCCC)ccc2 0.76 0.725 0.43 0.718 0.486 0.654 0.884 0.989 0.085 0.95 0.931 Compound_110 NCCNCC[N+]1(CCCCCC[N+]2(CCNCCN)CCN=C2CCCCCCCCCCCCC)CCN=C1CCCCCCCCCCCCC 0.114 0.493 0.021 0.472 0.094 0.69 0.051 0.031 0.719 0.02 0.262 Compound_111 CCCCCCCCCCCCCCC(=O)N[N+](CCC[N+](NC(=O)CCCCCCCCCCCCCC)(C)C)(C)C 0.169 0.258 0.007 0.445 0.066 0.431 0.304 0.169 0.411 0.091 0.362 Compound_112 CCCCCCCCCCCCCCC(=O)OCC[N+](CC(C[N+](CCOC(=O)CCCCCCCCCCCCCC)(C)C)O)(C)C 0.09 0.176 0.005 0.728 0.084 0.091 0.053 0.026 0.158 0.013 0.226 Compound_113 CCCCCCCCCCCCCCC(=O)OCC[n+]1ccc(cc1)CCCc1cc[n+](cc1)CCOC(=O)CCCCCCCCCCCCCC 0.491 0.599 0.283 0.712 0.041 0.678 0.138 0.926 0.363 0.923 0.696 Compound_114 CCCCCCCCCCCCCCC([n+]1ccn(c1)C)CSCCCCSCC([n+]1ccn(c1)C)CCCCCCCCCCCCCC 0.118 0.526 0.065 0.572 0.353 0.734 0.352 0.765 0.416 0.472 0.57 Compound_115 CCCCCCCCCCCCCCC([n+]1ccn(c1)C)CSCCCSCC([n+]1ccn(c1)C)CCCCCCCCCCCCCC 0.116 0.526 0.08 0.547 0.353 0.734 0.352 0.709 0.429 0.472 0.57 Compound_116 CCCCCCCCCCCCCCC([n+]1ccccc1)CSCCSCC([n+]1ccccc1)CCCCCCCCCCCCCC 0.658 0.547 0.381 0.613 0.357 0.949 0.812 0.959 0.733 0.301 0.652 Compound_117 CCCCCCCCCCCCCCC([n+]1ccn(c1)C)CSCCSCC([n+]1ccn(c1)C)CCCCCCCCCCCCCC 0.1 0.526 0.08 0.564 0.353 0.734 0.352 0.707 0.44 0.472 0.57 Compound_118 CCCCCCCCCCCCCCCC(=O)N[N+](CCC[N+](NC(=O)CCCCCCCCCCCCCCC)(C)C)(C)C 0.169 0.258 0.007 0.445 0.066 0.431 0.304 0.169 0.411 0.091 0.362 Compound_119 CCCCCCCCCCCCCCCC(=O)OCC(C[n+]1ccn(c1)C)(C[n+]1ccn(c1)C)COC(=O)CCCCCCCCCCCCCCC 0.113 0.488 0.037 0.65 0.13 0.659 0.26 0.262 0.239 0.306 0.866 Compound_120 CCCCCCCCCCCCCCCC(=O)OCC[N+](CC(C[N+](CCOC(=O)CCCCCCCCCCC)(C)C)O)(C)C 0.09 0.176 0.005 0.728 0.084 0.091 0.053 0.026 0.158 0.013 0.226 Compound_121 CCCCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC[n+]1cccc3c1c(ccc3)OC(=O)CCCCCCCCCCCCCCC)ccc2 0.77 0.725 0.43 0.718 0.486 0.654 0.884 0.989 0.085 0.95 0.931 Compound_122 CCCCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCC[n+]1cccc3c1c(ccc3)OC(=O)CCCCCCCCCCCCCCC)ccc2 0.76 0.725 0.43 0.718 0.486 0.654 0.884 0.989 0.085 0.95 0.931 Compound_123 NCCNCC[N+]1(CCCCCC[N+]2(CCNCCN)CCN=C2CCCCCCCCCCCCCCC)CCN=C1CCCCCCCCCCCCCCC 0.114 0.493 0.021 0.472 0.094 0.69 0.051 0.031 0.719 0.02 0.262 Compound_124 CCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(C[N+](CCCNC(=O)CCCCCCCCCCCCCCCC)(C)C)O)(C)C 0.108 0.201 0.001 0.347 0.031 0.243 0.009 0.042 0.379 0.002 0.159 Compound_125 CCCCCCCCCCCCCCCCC(=O)OCC[n+]1ccc(cc1)CCCc1cc[n+](cc1)CCOC(=O)CCCCCCCCCCCCCCCC 0.491 0.599 0.283 0.712 0.041 0.678 0.138 0.926 0.363 0.923 0.696 Compound_126 CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC[n+]1cccc3c1c(ccc3)OC(=O)CCCCCCCCCCCCCCCCC)ccc2 0.77 0.725 0.43 0.718 0.486 0.654 0.884 0.989 0.085 0.95 0.931 Compound_127 CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCC[n+]1cccc3c1c(ccc3)OC(=O)CCCCCCCCCCCCCCCCC)ccc2 0.76 0.725 0.43 0.718 0.486 0.654 0.884 0.989 0.085 0.95 0.931 Compound_128 CCCCCCCCCCCCCCCCCC[N+](CC(CN1CCN(CC1)CC(C[N+](CCCCCCCCCCCCCCCCCC)(C)C)O)O)(C)C 0.273 0.373 0.007 0.243 0.064 0.422 0.044 0.062 0.492 0.051 0.148 Compound_129 CCCCCCCCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_130 CCCCCCCCCCCCCCCCCC[N+](CCOC(=O)CCC(=O)OCC[N+](CCCCCCCCCCCCCCCCCC)(C)C)(C)C 0.443 0.267 0.039 0.781 0.148 0.253 0.942 0.05 0.525 0.03 0.282 Compound_131 CCCCCCCCCCCCCCCCCC[N+](CCOC(=O)CCCCCCC(=O)OCC[N+](CCCCCCCCCCCCCCCCCC)(C)C)(C)C 0.255 0.267 0.039 0.781 0.07 0.122 0.865 0.05 0.359 0.03 0.282 Compound_132 CCCCCCCCCCCCCCCCCC[N+](CCOCC[N+](CCCCCCCCCCCCCCCCCC)(C)C)(C)C 0.576 0.423 0.025 0.662 0.088 0.562 0.931 0.153 0.881 0.038 0.222 Compound_133 CCCCCCCCCCCCCCCCCC[N+](CCSCC[N+](CCCCCCCCCCCCCCCCCC)(C)C)(C)C 0.539 0.712 0.025 0.662 0.312 0.751 0.988 0.153 0.659 0.174 0.33 Compound_134 CCCCCCCCCCCCCCCCCC[N+]1(CCCC1)CC#CC[N+]1(CCCCCCCCCCCCCCCCCC)CCCC1 0.82 0.71 0.314 0.665 0.165 0.904 0.996 0.84 0.752 0.215 0.397 Compound_135 CCCCCCCCCCCCCCCCCC[N+]1(CCCCC1)CC#CC[N+]1(CCCCCCCCCCCCCCCCCC)CCCCC1 0.82 0.47 0.314 0.665 0.058 0.882 0.79 0.84 0.738 0.086 0.239 Compound_136 CCCCCCCCCCCCCCCCCC[n+]1cccc(c1)COC(=O)C(CC(=O)OCc1ccc[n+](c1)CCCCCCCCCCCCCCCCCC)(CC(=O)OCc1ccc[n+](c1)CCCCCCCCCCCCCCCCCC)O 0.483 0.614 0.046 0.674 0.426 0.615 0.226 0.911 0.568 0.878 0.767 Compound_137 CCCCCCCCCCCCCCCCOC(=O)C[N+](c1ccc(cc1)C=NCCN=Cc1ccc(cc1)[N+](CC(=O)OCCCCCCCCCCCCCCCC)(CC)CC)(CC)CC 0.539 0.71 0.402 0.677 0.836 0.623 0.081 0.4 0.424 0.6 0.412 Compound_138 CCCCCCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCCCCCC)(C)C)(C)C 0.181 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.409 0.128 0.431 Compound_139 CCCCCCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCCCCCC)(C)C)(C)C 0.186 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.402 0.128 0.431 Compound_140 CCCCCCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCCCCCC)(C)C)(C)C 0.232 0.58 0.193 0.551 0.809 0.894 0.068 0.085 0.37 0.128 0.431 Compound_141 CCCCCCCCCCCCCCCCOc1ccc[n+](c1)CC(C[n+]1cccc(c1)OCCCCCCCCCCCCCCCC)O 0.448 0.625 0.075 0.581 0.101 0.533 0.031 0.649 0.535 0.217 0.63 Compound_142 CCCCCCCCCCCCCCCC[N+](CC(=O)NCCNC(=O)C[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.353 0.255 0.01 0.37 0.072 0.171 0.077 0.041 0.382 0.015 0.296 Compound_143 CCCCCCCCCCCCCCCC[N+](CC(=O)OCCCOC(=O)C[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.435 0.247 0.026 0.762 0.22 0.147 0.949 0.115 0.484 0.03 0.308 Compound_144 CCCCCCCCCCCCCCCC[N+](CC(=O)OCCN(CCOC(=O)C[N+](CCCCCCCCCC)(C)C)CCOC(=O)C[N+](CCCCCCCCCC)(C)C)(C)C 0.391 0.267 0.008 0.279 0.298 0.214 0.896 0.055 0.431 0.03 0.282 Compound_145 CCCCCCCCCCCCCCCC[N+](CC(=O)OCCOC(=O)C[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.553 0.267 0.026 0.764 0.332 0.224 0.948 0.111 0.511 0.042 0.254 Compound_146 CCCCCCCCCCCCCCCC[N+](CC(C(C[N+](CCCCCCCCCCCCCCCC)(C)C)O)O)(C)C 0.397 0.27 0.014 0.6 0.128 0.491 0.246 0.092 0.448 0.012 0.163 Compound_147 CCCCCCCCCCCCCCCC[N+](CC(CC([N+](CCCCCCCCCCCCCCCC)(C)C)O)O)(C)C 0.382 0.265 0.005 0.601 0.081 0.327 0.216 0.195 0.374 0.018 0.201 Compound_148 CCCCCCCCCCCCCCCC[N+](CC(CN1CCN(CC1)CC(C[N+](CCCCCCCCCCCCCCCC)(C)C)O)O)(C)C 0.273 0.373 0.007 0.243 0.064 0.422 0.044 0.062 0.492 0.051 0.148 Compound_149 CCCCCCCCCCCCCCCC[N+](CC(CO)O)(C)C 0.443 0.287 0.004 0.546 0.083 0.575 0.29 0.018 0.231 0.007 0.131 Compound_150 CCCCCCCCCCCCCCCC[N+](CC(C[N+](CCCCCCCCCCCCCCCC)(C)C)O)(C)C 0.505 0.349 0.005 0.6 0.059 0.507 0.09 0.092 0.566 0.026 0.175 Compound_151 CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_152 CCCCCCCCCCCCCCCC[N+](CCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_153 CCCCCCCCCCCCCCCC[N+](CCCCCCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_154 CCCCCCCCCCCCCCCC[N+](CCCCCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.916 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_155 CCCCCCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_156 CCCCCCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_157 CCCCCCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_158 CCCCCCCCCCCCCCCC[N+](CCCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_159 CCCCCCCCCCCCCCCC[N+](CCCCNC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.193 0.536 0.009 0.443 0.089 0.377 0.457 0.026 0.846 0.165 0.225 Compound_160 CCCCCCCCCCCCCCCC[N+](CCCCO[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.68 0.452 0.078 0.664 0.11 0.853 0.932 0.218 0.849 0.079 0.522 Compound_161 CCCCCCCCCCCCCCCC[N+](CCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.896 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_162 CCCCCCCCCCCCCCCC[N+](CCCNC(=O)c1ccc(cc1)C(=O)NCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.453 0.41 0.032 0.365 0.006 0.848 0.277 0.053 0.852 0.005 0.157 Compound_163 CCCCCCCCCCCCCCCC[N+](CCCNCCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.554 0.553 0.009 0.485 0.042 0.391 0.469 0.048 0.846 0.228 0.162 Compound_164 CCCCCCCCCCCCCCCC[N+](CCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.858 0.729 0.038 0.637 0.069 0.812 0.975 0.418 0.95 0.075 0.223 Compound_165 CCCCCCCCCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCCCCCCCCC)(C)C)C)(C)C 0.702 0.722 0.003 0.253 0.078 0.739 0.692 0.04 0.919 0.058 0.254 Compound_166 CCCCCCCCCCCCCCCC[N+](CCOC(=O)CCC(=O)OCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.443 0.267 0.039 0.781 0.148 0.253 0.942 0.05 0.525 0.03 0.282 Compound_167 CCCCCCCCCCCCCCCC[N+](CCOC(=O)CCCCCCC(=O)OCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.255 0.267 0.039 0.781 0.07 0.122 0.865 0.05 0.359 0.03 0.282 Compound_168 CCCCCCCCCCCCCCCC[N+](CCOCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.576 0.423 0.025 0.662 0.088 0.562 0.931 0.153 0.881 0.038 0.222 Compound_169 CCCCCCCCCCCCCCCC[N+](CCOc1ccc(cc1)C=NNC(=O)C(=O)NN=Cc1ccc(cc1)OCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.39 0.729 0.312 0.61 0.322 0.844 0.009 0.099 0.409 0.157 0.38 Compound_170 CCCCCCCCCCCCCCCC[N+](CCSCC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.539 0.712 0.025 0.662 0.312 0.751 0.988 0.153 0.659 0.174 0.33 Compound_171 CCCCCCCCCCCCCCCC[N+](CC[N+](CCCCCCCCCCCCCCCC)(C)C)(C)C 0.716 0.722 0.042 0.658 0.078 0.739 0.692 0.382 0.919 0.058 0.254 Compound_172 CCCCCCCCCCCCCCCC[N+](CCC)(CCC)CCCC[N+](CCCCCCCCCCCCCCCC)(CCC)CCC 0.896 0.784 0.314 0.665 0.079 0.787 0.989 0.834 0.962 0.635 0.267 Compound_173 CCCCCCCCCCCCCCCC[N+](CC(O)C)(CC(O)C)CCCCC[N+](CC(O)C)(CC(O)C)CCCCCCCCCCCCCCCC 0.583 0.238 0.056 0.591 0.1 0.547 0.254 0.282 0.486 0.053 0.217 Compound_174 CCCCCCCCCCCCCCCC[N+](CC(O)C)CCCCC[N+](CC(O)C)CCCCCCCCCCCCCCCC 0.09 0.129 0.053 0.115 0.06 0.133 0.006 0.141 0.317 0.127 0.203 Compound_175 CCCCCCCCCCCCCCCC[N+]1(C)CC[N+](CC1)(C)CCCCCCCCCCCCCCCC 0.716 0.533 0.042 0.664 0.051 0.622 0.453 0.767 0.902 0.123 0.099 Compound_176 CCCCCCCCCCCCCCCC[N+]1(CCCC1)CC#CC[N+]1(CCCCCCCCCCCCCCCC)CCCC1 0.82 0.71 0.314 0.665 0.165 0.904 0.996 0.84 0.752 0.215 0.397 Compound_177 CCCCCCCCCCCCCCCC[N+]1(CCCCC1)CC#CC[N+]1(CCCCCCCCCCCCCCCC)CCCCC1 0.82 0.47 0.314 0.665 0.058 0.882 0.79 0.84 0.738 0.086 0.239 Compound_178 CCCCCCCCCCCCCCCC[N+]1(CCCC[N+]2(CCCCCCCCCCCCCCCC)CCCC2)CCCC1 0.896 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_179 CCCCCCCCCCCCCCCC[N+]1(CCOCC1)Cc1ccc(cc1)c1ccc(cc1)C[N+]1(CCCCCCCCCCCCCCCC)CCOCC1 0.219 0.55 0.581 0.762 0.09 0.694 0.019 0.66 0.482 0.022 0.238 Compound_180 CCCCCCCCCCCCCCCC[N+]1(CCOCC1)Cc1ccc(cc1)C[N+]1(CCCCCCCCCCCCCCCC)CCOCC1 0.147 0.494 0.513 0.633 0.045 0.798 0.019 0.22 0.49 0.071 0.173 Compound_181 CCCCCCCCCCCCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCCCCCCCCCCCC 0.596 0.586 0.1 0.724 0.578 0.858 0.295 0.951 0.387 0.216 0.418 Compound_182 CCCCCCCCCCCCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCCCCCCCCCCCC 0.583 0.586 0.1 0.724 0.652 0.829 0.295 0.951 0.4 0.216 0.418 Compound_183 CCCCCCCCCCCCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCCCCCCCCCCCC 0.587 0.586 0.1 0.724 0.583 0.865 0.312 0.951 0.412 0.216 0.418 Compound_184 CCCCCCCCCCCCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCCCCCCCCCCCC 0.582 0.586 0.122 0.702 0.591 0.862 0.333 0.952 0.424 0.217 0.45 Compound_185 CCCCCCCCCCCCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCCCCCCCCCCCC 0.546 0.606 0.122 0.726 0.654 0.868 0.33 0.95 0.444 0.18 0.38 Compound_186 CCCCCCCCCCCCCCC[N+](CCCCNC[N+](CCCCCCCCCCCCCCC)(C)C)(C)C 0.193 0.536 0.009 0.443 0.089 0.377 0.457 0.026 0.846 0.165 0.225 Compound_187 CCCCCCCCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCCCCCCCC)(C)C)C)(C)C 0.702 0.722 0.003 0.253 0.078 0.739 0.692 0.04 0.919 0.058 0.254 Compound_188 CCCCCCCCCCCCCCC[N+]1(CCC#CCC[N+]2(CCCCCCCCCCCCCCC)CCCC2)CCCC1 0.861 0.71 0.314 0.665 0.18 0.949 0.996 0.84 0.752 0.215 0.397 Compound_189 CCCCCCCCCCCCCCNC(=O)C(CCCNC([N+])N)[N+] 0.126 0.122 0.006 0.228 0.033 0.175 0.161 0.007 0.615 0.837 0.135 Compound_190 CCCCCCCCCCCCCCOC(=O)C[n+]1ccc(cc1)CCCc1cc[n+](cc1)CC(=O)OCCCCCCCCCCCCCC 0.584 0.609 0.451 0.732 0.085 0.639 0.095 0.955 0.668 0.961 0.717 Compound_191 CCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCC)(CCC[N+](C)(C)C)CCC[N+](C)(C)C 0.79 0.432 0.02 0.718 0.056 0.652 0.528 0.639 0.411 0.026 0.326 Compound_192 CCCCCCCCCCCCCCOCC(CC[N+](C)(C)C)(CC[N+](C)(C)C)COCCCCCCCCCCCCCC 0.858 0.432 0.02 0.689 0.08 0.739 0.571 0.62 0.367 0.026 0.326 Compound_193 CCCCCCCCCCCCCCOCC(COCCC[N+](C)(C)C)(COCCC[N+](C)(C)C)COCCCCCCCCCCCCCC 0.556 0.384 0.011 0.684 0.085 0.607 0.616 0.694 0.37 0.013 0.338 Compound_194 CCCCCCCCCCCCCCOCC(COCC[N+](C)(C)C)(COCC[N+](C)(C)C)COCCCCCCCCCCCCCC 0.529 0.354 0.02 0.654 0.116 0.242 0.764 0.439 0.317 0.016 0.279 Compound_195 CCCCCCCCCCCCCCOCC(C[N+](C)(C)C)(C[N+](C)(C)C)COCCCCCCCCCCCCCC 0.562 0.425 0.014 0.492 0.072 0.61 0.301 0.622 0.33 0.15 0.299 Compound_196 CCCCCCCCCCCCCCOc1ccc(cc1)C[n+]1ccn(c1)CCCCCCn1cc[n+](c1)Cc1ccc(cc1)OCCCCCCCCCCCCCC 0.601 0.605 0.282 0.726 0.567 0.845 0.137 0.965 0.347 0.282 0.565 Compound_197 CCCCCCCCCCCCCCOc1ccc(cc1)C[n+]1ccn(c1)CCCn1cc[n+](c1)Cc1ccc(cc1)OCCCCCCCCCCCCCC 0.56 0.635 0.431 0.735 0.556 0.841 0.132 0.963 0.339 0.205 0.575 Compound_198 CCCCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCCCC)(C)C)(C)C 0.181 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.409 0.128 0.431 Compound_199 CCCCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCCCC)(C)C)(C)C 0.186 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.402 0.128 0.431 Compound_200 CCCCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCCCC)(C)C)(C)C 0.232 0.58 0.193 0.551 0.809 0.894 0.068 0.085 0.37 0.128 0.431 Compound_201 CCCCCCCCCCCCCCOc1ccc[n+](c1)CC(C[n+]1cccc(c1)OCCCCCCCCCCCCCC)O 0.448 0.625 0.075 0.581 0.101 0.533 0.031 0.649 0.535 0.217 0.63 Compound_202 CCCCCCCCCCCCCCOc1ccc[n+](c1)CCCCCC[n+]1cccc(c1)OCCCCCCCCCCCCCC 0.725 0.528 0.484 0.675 0.116 0.6 0.033 0.99 0.671 0.653 0.648 Compound_203 CCCCCCCCCCCCCCOc1ccc[n+](c1)CCCCC[n+]1cccc(c1)OCCCCCCCCCCCCCC 0.699 0.528 0.484 0.675 0.116 0.6 0.033 0.99 0.671 0.653 0.648 Compound_204 CCCCCCCCCCCCCCOc1ccc[n+](c1)CCCC[n+]1cccc(c1)OCCCCCCCCCCCCCC 0.605 0.528 0.484 0.675 0.116 0.6 0.033 0.99 0.671 0.653 0.648 Compound_205 CCCCCCCCCCCCCCOc1ccc[n+](c1)CCC[n+]1cccc(c1)OCCCCCCCCCCCCCC 0.574 0.581 0.484 0.668 0.113 0.597 0.047 0.99 0.671 0.638 0.649 Compound_206 CCCCCCCCCCCCCCOc1ccc[n+](c1)CC[n+]1cccc(c1)OCCCCCCCCCCCCCC 0.532 0.531 0.502 0.657 0.103 0.554 0.023 0.99 0.671 0.59 0.675 Compound_207 CCCCCCCCCCCCCC[N+](CC(=O)NCCNC(=O)C[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.353 0.255 0.01 0.37 0.072 0.171 0.077 0.041 0.382 0.015 0.296 Compound_208 CCCCCCCCCCCCCC[N+](CC(=O)OCCCOC(=O)C[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.435 0.247 0.026 0.762 0.22 0.147 0.949 0.115 0.484 0.03 0.308 Compound_209 CCCCCCCCCCCCCC[N+](CC(=O)OCCN(CCOC(=O)C[N+](CCCCCCCCCC)(C)C)CCOC(=O)C[N+](CCCCCCCCCC)(C)C)(C)C 0.391 0.267 0.008 0.279 0.298 0.214 0.896 0.055 0.431 0.03 0.282 Compound_210 CCCCCCCCCCCCCC[N+](CC(=O)OCCOC(=O)C[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.553 0.267 0.026 0.764 0.332 0.224 0.948 0.111 0.511 0.042 0.254 Compound_211 CCCCCCCCCCCCCC[N+](CC(=O)OCc1ccc(cc1)COC(=O)C[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.167 0.534 0.059 0.661 0.092 0.107 0.121 0.376 0.47 0.016 0.161 Compound_212 CCCCCCCCCCCCCC[N+](CC(=O)Oc1ccc(cc1)OC(=O)C[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.46 0.493 0.058 0.699 0.536 0.328 0.407 0.189 0.368 0.023 0.173 Compound_213 CCCCCCCCCCCCCC[N+](CC(C(C[N+](CCCCCCCCCCCCCC)(C)C)O)O)(C)C 0.397 0.27 0.014 0.6 0.128 0.491 0.246 0.092 0.448 0.012 0.163 Compound_214 CCCCCCCCCCCCCC[N+](CC(CC([N+](CCCCCCCCCCCCCC)(C)C)O)O)(C)C 0.382 0.265 0.005 0.601 0.081 0.327 0.216 0.195 0.374 0.018 0.201 Compound_215 CCCCCCCCCCCCCC[N+](CC(CO)O)(C)C 0.443 0.287 0.004 0.546 0.083 0.575 0.29 0.018 0.231 0.007 0.131 Compound_216 CCCCCCCCCCCCCC[N+](CC(C[N+](CCCCCCCCCCCCCC)(C)C)O)(C)C 0.505 0.349 0.005 0.6 0.059 0.507 0.09 0.092 0.566 0.026 0.175 Compound_217 CCCCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_218 CCCCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_219 CCCCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_220 CCCCCCCCCCCCCC[N+](CCCCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_221 CCCCCCCCCCCCCC[N+](CCCCNC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.193 0.536 0.009 0.443 0.089 0.377 0.457 0.026 0.846 0.165 0.225 Compound_222 CCCCCCCCCCCCCC[N+](CCCCO[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.68 0.452 0.078 0.664 0.11 0.853 0.932 0.218 0.849 0.079 0.522 Compound_223 CCCCCCCCCCCCCC[N+](CCCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.896 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_224 CCCCCCCCCCCCCC[N+](CCCNC(=O)c1ccc(cc1)C(=O)NCCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.453 0.41 0.032 0.365 0.006 0.848 0.277 0.053 0.852 0.005 0.157 Compound_225 CCCCCCCCCCCCCC[N+](CCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.858 0.729 0.038 0.637 0.069 0.812 0.975 0.418 0.95 0.075 0.223 Compound_226 CCCCCCCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCCCCCCC)(C)C)C)(C)C 0.702 0.722 0.003 0.253 0.078 0.739 0.692 0.04 0.919 0.058 0.254 Compound_227 CCCCCCCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCCCCCCC)(C)C)CC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.702 0.722 0.006 0.266 0.093 0.78 0.657 0.103 0.878 0.058 0.254 Compound_228 CCCCCCCCCCCCCC[N+](CCOC(=O)CCC(=O)OCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.443 0.267 0.039 0.781 0.148 0.253 0.942 0.05 0.525 0.03 0.282 Compound_229 CCCCCCCCCCCCCC[N+](CCOC(=O)CCCCCCC(=O)OCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.255 0.267 0.039 0.781 0.07 0.122 0.865 0.05 0.359 0.03 0.282 Compound_230 CCCCCCCCCCCCCC[N+](CCOCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.576 0.423 0.025 0.662 0.088 0.562 0.931 0.153 0.881 0.038 0.222 Compound_231 CCCCCCCCCCCCCC[N+](CCOc1ccc(cc1)C=NNC(=O)C(=O)NN=Cc1ccc(cc1)OCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.39 0.729 0.312 0.61 0.322 0.844 0.009 0.099 0.409 0.157 0.38 Compound_232 CCCCCCCCCCCCCC[N+](CCSCC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.539 0.712 0.025 0.662 0.312 0.751 0.988 0.153 0.659 0.174 0.33 Compound_233 CCCCCCCCCCCCCC[N+](CC[N+](CCCCCCCCCCCCCC)(C)C)(C)C 0.716 0.722 0.042 0.658 0.078 0.739 0.692 0.382 0.919 0.058 0.254 Compound_234 CCCCCCCCCCCCCC[N+](CC(=O)NCCNC(=O)C[N+](CCCCCCCCCCCCCC)(CC)CC)(CC)CC 0.355 0.255 0.083 0.375 0.072 0.171 0.077 0.132 0.398 0.072 0.329 Compound_235 CCCCCCCCCCCCCC[N+](CCC)(CCC)CCCC[N+](CCCCCCCCCCCCCC)(CCC)CCC 0.896 0.784 0.314 0.665 0.079 0.787 0.989 0.834 0.962 0.635 0.267 Compound_236 CCCCCCCCCCCCCC[N+](CC(O)C)(CC(O)C)CCCCCC[N+](CC(O)C)(CC(O)C)CCCCCCCCCCCCCC 0.584 0.238 0.056 0.591 0.1 0.547 0.254 0.282 0.486 0.053 0.217 Compound_237 CCCCCCCCCCCCCC[N+](CC(O)C)CCCCCC[N+](CC(O)C)CCCCCCCCCCCCCC 0.085 0.129 0.053 0.115 0.06 0.133 0.006 0.141 0.406 0.127 0.203 Compound_238 CCCCCCCCCCCCCC[N+]1(C)CC[N+](CC1)(C)CCCCCCCCCCCCCC 0.716 0.533 0.042 0.664 0.051 0.622 0.453 0.767 0.902 0.123 0.099 Compound_239 CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CC[N+]1(CCCCCCCCCCCCCC)CCCC1 0.82 0.71 0.314 0.665 0.165 0.904 0.996 0.84 0.752 0.215 0.397 Compound_240 CCCCCCCCCCCCCC[N+]1(CCCCC1)CC#CC[N+]1(CCCCCCCCCCCCCC)CCCCC1 0.82 0.47 0.314 0.665 0.058 0.882 0.79 0.84 0.738 0.086 0.239 Compound_241 CCCCCCCCCCCCCC[N+]1(CCCC[N+]2(CCCCCCCCCCCCCC)CCCC2)CCCC1 0.896 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_242 CCCCCCCCCCCCCC[N+]1(CCOCC1)Cc1ccc(cc1)C[N+]1(CCCCCCCCCCCCCC)CCOCC1 0.147 0.494 0.513 0.633 0.045 0.798 0.019 0.22 0.49 0.071 0.173 Compound_243 CCCCCCCCCCCCCC[n+]1ccc(cc1)C(=O)NCCCCCCNC(=O)c1cc[n+](cc1)CCCCCCCCCCCCCC 0.308 0.394 0.197 0.376 0.02 0.885 0.008 0.613 0.415 0.086 0.533 Compound_244 CCCCCCCCCCCCCC[n+]1cccc(c1)NC(=O)Nc1ccc[n+](c1)CCCCCCCCCCCCCC 0.584 0.516 0.649 0.614 0.191 0.932 0.02 0.894 0.908 0.778 0.301 Compound_245 CCCCCCCCCCCCCCn1cc[n+](c1)CC(C[n+]1ccn(c1)CCCCCCCCCCCCCC)O 0.377 0.539 0.038 0.688 0.556 0.745 0.127 0.619 0.352 0.303 0.331 Compound_246 CCCCCCCCCCCCCCn1cc[n+](c1)CCCC[n+]1ccn(c1)CCCCCCCCCCCCCC 0.359 0.647 0.127 0.747 0.727 0.9 0.3 0.996 0.495 0.267 0.309 Compound_247 CCCCCCCCCCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCCCCCCCCCC 0.596 0.586 0.1 0.724 0.578 0.858 0.295 0.951 0.387 0.216 0.418 Compound_248 CCCCCCCCCCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCCCCCCCCCC 0.583 0.586 0.1 0.724 0.652 0.829 0.295 0.951 0.4 0.216 0.418 Compound_249 CCCCCCCCCCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCCCCCCCCCC 0.587 0.586 0.1 0.724 0.583 0.865 0.312 0.951 0.412 0.216 0.418 Compound_250 CCCCCCCCCCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCCCCCCCCCC 0.582 0.586 0.122 0.702 0.591 0.862 0.333 0.952 0.424 0.217 0.45 Compound_251 CCCCCCCCCCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCCCCCCCCCC 0.546 0.606 0.122 0.726 0.654 0.868 0.33 0.95 0.444 0.18 0.38 Compound_252 CCCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCCCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_253 CCCCCCCCCCCCC[N+](CCCCC[N+](CCCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_254 CCCCCCCCCCCCC[N+](CCCCNC[N+](CCCCCCCCCCCCC)(C)C)(C)C 0.193 0.536 0.009 0.443 0.089 0.377 0.457 0.026 0.846 0.165 0.225 Compound_255 CCCCCCCCCCCCC[N+](CCCCO[N+](CCCCCCCCCCCCC)(C)C)(C)C 0.68 0.452 0.078 0.664 0.11 0.853 0.932 0.218 0.849 0.079 0.522 Compound_256 CCCCCCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCCCCCC)(C)C)C)(C)C 0.702 0.722 0.003 0.253 0.078 0.739 0.692 0.04 0.919 0.058 0.254 Compound_257 CCCCCCCCCCCCC[N+](CCOCC[N+](CCCCCCCCCCCCC)(C)C)(C)C 0.576 0.423 0.025 0.662 0.088 0.562 0.931 0.153 0.881 0.038 0.222 Compound_258 CCCCCCCCCCCCC[N+]1(CCC#CCC[N+]2(CCCCCCCCCCCCC)CCCC2)CCCC1 0.861 0.71 0.314 0.665 0.18 0.949 0.996 0.84 0.752 0.215 0.397 Compound_259 CCCCCCCCCCCCC[N+]1(CCC#CCC[N+]2(CCCCCCCCCCCCC)CCCCC2)CCCCC1 0.861 0.47 0.314 0.665 0.064 0.944 0.79 0.84 0.738 0.086 0.239 Compound_260 CCCCCCCCCCCCN(C(=[N+])N(C)C)CCC[N+](CCCCCCCCCCCC)(C)C 0.344 0.541 0.006 0.541 0.081 0.986 0.37 0.217 0.836 0.09 0.199 Compound_261 CCCCCCCCCCCCNC(=O)C[N+](CCCCCCCCCCCC[N+](CC(=O)NCCCCCCCCCCCC)(C)C)(C)C 0.123 0.255 0.01 0.352 0.072 0.171 0.077 0.041 0.481 0.008 0.253 Compound_262 CCCCCCCCCCCCNC(=O)C[N+](CCCCCC[N+](CC(=O)NCCCCCCCCCCCC)(C)C)(C)C 0.131 0.255 0.01 0.352 0.072 0.171 0.077 0.041 0.481 0.008 0.253 Compound_263 CCCCCCCCCCCCOC(=O)C([N+](CC[N+](C(C(=O)OCCCCCCCCCCCC)C)(C)C)(C)C)C 0.202 0.279 0.009 0.726 0.241 0.058 0.126 0.315 0.358 0.036 0.337 Compound_264 CCCCCCCCCCCCOC(=O)C[N+](C(=O)NCCCCCCNC(=O)[N+](CC(=O)OCCCCCCCCCCCC)(C)C)(C)C 0.21 0.188 0.015 0.513 0.217 0.08 0.587 0.17 0.427 0.012 0.233 Compound_265 CCCCCCCCCCCCOC(=O)C[N+](CCCCCC[N+](CC(=O)OCCCCCCCCCCCC)(C)C)(C)C 0.362 0.267 0.021 0.773 0.196 0.102 0.939 0.13 0.455 0.03 0.282 Compound_266 CCCCCCCCCCCCOC(=O)C[N+](c1ccc(cc1)C=NCCN=Cc1ccc(cc1)[N+](CC(=O)OCCCCCCCCCCCC)(CC)CC)(CC)CC 0.539 0.71 0.402 0.677 0.836 0.623 0.081 0.4 0.424 0.6 0.412 Compound_267 CCCCCCCCCCCCOC(=O)C[n+]1ccc(cc1)CCCc1cc[n+](cc1)CC(=O)OCCCCCCCCCCCC 0.584 0.609 0.451 0.732 0.085 0.639 0.095 0.955 0.668 0.961 0.717 Compound_268 CCCCCCCCCCCCOCC(COCCCCCCCCCCCC)(CCC[N+](C)(C)C)CCC[N+](C)(C)C 0.79 0.432 0.02 0.718 0.056 0.652 0.528 0.639 0.411 0.026 0.326 Compound_269 CCCCCCCCCCCCOCC(CC[N+](C)(C)C)(CC[N+](C)(C)C)COCCCCCCCCCCCC 0.858 0.432 0.02 0.689 0.08 0.739 0.571 0.62 0.367 0.026 0.326 Compound_270 CCCCCCCCCCCCOCC(COCCC[N+](C)(C)C)(COCCC[N+](C)(C)C)COCCCCCCCCCCCC 0.556 0.384 0.011 0.684 0.085 0.607 0.616 0.694 0.37 0.013 0.338 Compound_271 CCCCCCCCCCCCOCC(COCC[N+](C)(C)C)(COCC[N+](C)(C)C)COCCCCCCCCCCCC 0.529 0.354 0.02 0.654 0.116 0.242 0.764 0.439 0.317 0.016 0.279 Compound_272 CCCCCCCCCCCCOCC(C[N+](C)(C)C)(C[N+](C)(C)C)COCCCCCCCCCCCC 0.562 0.425 0.014 0.492 0.072 0.61 0.301 0.622 0.33 0.15 0.299 Compound_273 CCCCCCCCCCCCOc1ccc(cc1)C[n+]1ccn(c1)CCCCCCn1cc[n+](c1)Cc1ccc(cc1)OCCCCCCCCCCCC 0.601 0.605 0.282 0.726 0.567 0.845 0.137 0.965 0.347 0.282 0.565 Compound_274 CCCCCCCCCCCCOc1ccc(cc1)C[n+]1ccn(c1)CCCn1cc[n+](c1)Cc1ccc(cc1)OCCCCCCCCCCCC 0.56 0.635 0.431 0.735 0.556 0.841 0.132 0.963 0.339 0.205 0.575 Compound_275 CCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCC)(C)C)(C)C 0.181 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.409 0.128 0.431 Compound_276 CCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCC)(C)C)(C)C 0.186 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.402 0.128 0.431 Compound_277 CCCCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCCCC)(C)C)(C)C 0.232 0.58 0.193 0.551 0.809 0.894 0.068 0.085 0.37 0.128 0.431 Compound_278 CCCCCCCCCCCCOc1ccc[n+](c1)CC(C[n+]1cccc(c1)OCCCCCCCCCCCC)O 0.448 0.625 0.075 0.581 0.101 0.533 0.031 0.649 0.535 0.217 0.63 Compound_279 CCCCCCCCCCCCOc1ccc[n+](c1)CCCCCC[n+]1cccc(c1)OCCCCCCCCCCCC 0.725 0.528 0.484 0.675 0.116 0.6 0.033 0.99 0.671 0.653 0.648 Compound_280 CCCCCCCCCCCCOc1ccc[n+](c1)CCCCC[n+]1cccc(c1)OCCCCCCCCCCCC 0.699 0.528 0.484 0.675 0.116 0.6 0.033 0.99 0.671 0.653 0.648 Compound_281 CCCCCCCCCCCCOc1ccc[n+](c1)CCCC[n+]1cccc(c1)OCCCCCCCCCCCC 0.605 0.528 0.484 0.675 0.116 0.6 0.033 0.99 0.671 0.653 0.648 Compound_282 CCCCCCCCCCCCOc1ccc[n+](c1)CCC[n+]1cccc(c1)OCCCCCCCCCCCC 0.574 0.581 0.484 0.668 0.113 0.597 0.047 0.99 0.671 0.638 0.649 Compound_283 CCCCCCCCCCCCOc1ccc[n+](c1)CC[n+]1cccc(c1)OCCCCCCCCCCCC 0.532 0.531 0.502 0.657 0.103 0.554 0.023 0.99 0.671 0.59 0.675 Compound_284 CCCCCCCCCCCC[N+](C(=O)NCCCCCCCCCCCCNC(=O)[N+](CCCCCCCCCCCC)(C)C)(C)C 0.21 0.257 0.019 0.452 0.106 0.508 0.315 0.211 0.608 0.02 0.243 Compound_285 CCCCCCCCCCCC[N+](C(=O)NCCNC(=O)[N+](CCCCCCCCCCCC)(C)C)(C)C 0.3 0.247 0.019 0.465 0.105 0.473 0.044 0.235 0.466 0.019 0.272 Compound_286 CCCCCCCCCCCC[N+](C(=O)OCCCCCCOC(=O)[N+](CCCCCCCCCCCC)(C)C)(C)C 0.437 0.278 0.03 0.69 0.057 0.773 0.976 0.41 0.479 0.075 0.361 Compound_287 CCCCCCCCCCCC[N+](CC(=O)N(CCNC(=O)C[N+](CCCCCCCCCCCC)(C)C)CCNC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.346 0.285 0.007 0.31 0.072 0.171 0.077 0.097 0.407 0.01 0.27 Compound_288 CCCCCCCCCCCC[N+](CC(=O)NCCN(CCNC(=O)C[N+](CCCCCCCCCCCC)(C)C)CCNC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.299 0.285 0.002 0.183 0.072 0.171 0.077 0.028 0.423 0.01 0.27 Compound_289 CCCCCCCCCCCC[N+](CC(=O)NCCNC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.353 0.255 0.01 0.37 0.072 0.171 0.077 0.041 0.382 0.015 0.296 Compound_290 CCCCCCCCCCCC[N+](CC(=O)OCCCOC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.435 0.247 0.026 0.762 0.22 0.147 0.949 0.115 0.484 0.03 0.308 Compound_291 CCCCCCCCCCCC[N+](CC(=O)OCCN(CCOC(=O)C[N+](CCCCCCCCCC)(C)C)CCOC(=O)C[N+](CCCCCCCCCC)(C)C)(C)C 0.391 0.267 0.008 0.279 0.298 0.214 0.896 0.055 0.431 0.03 0.282 Compound_292 CCCCCCCCCCCC[N+](CC(=O)OCCOC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.553 0.267 0.026 0.764 0.332 0.224 0.948 0.111 0.511 0.042 0.254 Compound_293 CCCCCCCCCCCC[N+](CC(=O)OCCOCCOC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.562 0.267 0.018 0.771 0.332 0.224 0.948 0.128 0.511 0.042 0.254 Compound_294 CCCCCCCCCCCC[N+](CC(=O)OCCOCCOCCOC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.537 0.267 0.018 0.771 0.332 0.224 0.948 0.128 0.511 0.042 0.254 Compound_295 CCCCCCCCCCCC[N+](CC(=O)OCc1ccc(cc1)COC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.167 0.534 0.059 0.661 0.092 0.107 0.121 0.376 0.47 0.016 0.161 Compound_296 CCCCCCCCCCCC[N+](CC(=O)Oc1ccc(cc1)OC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.46 0.493 0.058 0.699 0.536 0.328 0.407 0.189 0.368 0.023 0.173 Compound_297 CCCCCCCCCCCC[N+](CC(C(C[N+](CCCCCCCCCCCC)(C)C)O)O)(C)C 0.397 0.27 0.014 0.6 0.128 0.491 0.246 0.092 0.448 0.012 0.163 Compound_298 CCCCCCCCCCCC[N+](CC(CC([N+](CCCCCCCCCCCC)(C)C)O)O)(C)C 0.382 0.265 0.005 0.601 0.081 0.327 0.216 0.195 0.374 0.018 0.201 Compound_299 CCCCCCCCCCCC[N+](CC(CN(CC(C[N+](CCCCCCCCCCCC)(C)C)O)CC)O)(C)C 0.518 0.288 0.004 0.235 0.083 0.547 0.105 0.076 0.607 0.012 0.202 Compound_300 CCCN(CC(C[N+](CCCCCCCCCCCC)(C)C)O)CC(C[N+](CCCCCCCCCCCC)(C)C)O 0.518 0.288 0.006 0.248 0.083 0.547 0.105 0.037 0.589 0.012 0.202 Compound_301 CCCCN(CC(C[N+](CCCCCCCCCCCC)(C)C)O)CC(C[N+](CCCCCCCCCCCC)(C)C)O 0.518 0.288 0.005 0.227 0.083 0.547 0.105 0.029 0.589 0.012 0.202 Compound_302 CCCCCN(CC(C[N+](CCCCCCCCCCCC)(C)C)O)CC(C[N+](CCCCCCCCCCCC)(C)C)O 0.518 0.288 0.005 0.227 0.083 0.547 0.105 0.029 0.589 0.012 0.202 Compound_303 CCCCCCN(CC(C[N+](CCCCCCCCCCCC)(C)C)O)CC(C[N+](CCCCCCCCCCCC)(C)C)O 0.518 0.288 0.005 0.227 0.083 0.547 0.105 0.029 0.589 0.012 0.202 Compound_304 CCCCCCCCN(CC(C[N+](CCCCCCCCCCCC)(C)C)O)CC(C[N+](CCCCCCCCCCCC)(C)C)O 0.518 0.288 0.005 0.227 0.083 0.547 0.105 0.029 0.589 0.012 0.202 Compound_305 CCCCCCCCCCCC[N+](CC(CN1CCN(CC1)CC(C[N+](CCCCCCCCCCCC)(C)C)O)O)(C)C 0.273 0.373 0.007 0.243 0.064 0.422 0.044 0.062 0.492 0.051 0.148 Compound_306 CCCCCCCCCCCC[N+](CC(CO)O)(C)C 0.443 0.287 0.004 0.546 0.083 0.575 0.29 0.018 0.231 0.007 0.131 Compound_307 CCCCCCCCCCCC[N+](CC(C[N+](CCCCCCCCCCCC)(C)C)O)(C)C 0.505 0.349 0.005 0.6 0.035 0.477 0.064 0.092 0.566 0.026 0.175 Compound_308 CCCCCCCCCCCC[N+](CC(C[N+](CC(C[N+](CCCCCCCCCCCC)(C)C)O)(CC)CC)O)(C)C 0.518 0.288 0.005 0.608 0.083 0.547 0.105 0.057 0.564 0.012 0.202 Compound_309 CCCCCC[N+](CC(C[N+](CCCCCCCCCCCC)(C)C)O)(CC(C[N+](CCCCCCCCCCCC)(C)C)O)CCCCCC 0.518 0.288 0.005 0.6 0.083 0.547 0.105 0.093 0.589 0.012 0.202 Compound_310 CCCCCCCCCCCC[N+](CCC(C[N+](CCCCCCCCCCCC)(C)C)O)(C)C 0.396 0.328 0.005 0.588 0.072 0.369 0.215 0.161 0.522 0.033 0.169 Compound_311 CCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_312 CCCCCCCCCCCC[N+](CCCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_313 CCCCCCCCCCCC[N+](CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_314 CCCCCCCCCCCC[N+](CCCCCCCCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_315 CCCCCCCCCCCC[N+](CCCCCCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_316 CCCCCCCCCCCC[N+](CCCCCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.916 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_317 CCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_318 CCCCCCCCCCCC[N+](CCCCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_319 CCCCCCCCCCCC[N+](CCCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_320 CCCCCCCCCCCC[N+](CCCCNC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.193 0.536 0.009 0.443 0.089 0.377 0.457 0.026 0.846 0.165 0.225 Compound_321 CCCCCCCCCCCC[N+](CCCCO[N+](CCCCCCCCCCCC)(C)C)(C)C 0.68 0.452 0.078 0.664 0.11 0.853 0.932 0.218 0.849 0.079 0.522 Compound_322 CCCCCCCCCCCC[N+](CCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.896 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_323 CCCCCCCCCCCC[N+](CCCNC(=O)c1ccc(cc1)C(=O)NCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.453 0.41 0.032 0.365 0.006 0.848 0.277 0.053 0.852 0.005 0.157 Compound_324 CCCCCCCCCCCC[N+](CCCNC(=[N+])N(C)C)(C)C 0.174 0.437 0.026 0.554 0.042 0.979 0.324 0.139 0.866 0.2 0.165 Compound_325 CCCCCCCCCCCC[N+](CCCNCCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.554 0.553 0.009 0.485 0.042 0.391 0.469 0.048 0.846 0.228 0.162 Compound_326 CCCCCCCCCCCC[N+](CCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.858 0.729 0.038 0.637 0.042 0.799 0.975 0.418 0.95 0.075 0.223 Compound_327 CCCCCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCCCCC)(C)C)CC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.702 0.722 0.006 0.266 0.093 0.78 0.657 0.103 0.878 0.058 0.254 Compound_328 CCCCCCCCCCCC[N+](CCNC(=O)CCN(CCC(=O)NCC[N+](CCCCCCCCCCCC)(C)C)CCN(CCC(=O)NCC[N+](CCCCCCCCCCCC)(C)C)CCC(=O)NCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.24 0.265 0.001 0.193 0.06 0.478 0.05 0.058 0.397 0.006 0.314 Compound_329 CCCCCCCCCCCC[N+](CCOCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.576 0.423 0.025 0.662 0.088 0.562 0.931 0.153 0.881 0.038 0.222 Compound_330 CCCCCCCCCCCC[N+](CCOC(=O)CCC(=O)OCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.443 0.267 0.039 0.781 0.148 0.253 0.942 0.05 0.525 0.03 0.282 Compound_331 CCCCCCCCCCCC[N+](CCOC(=O)CCCCCCC(=O)OCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.255 0.267 0.039 0.781 0.07 0.122 0.865 0.05 0.359 0.03 0.282 Compound_332 CCCCCCCCCCCC[N+](CCOC(=O)C[N+](CCCCCCCCCCCC)(C)C)(C)C 0.431 0.305 0.026 0.76 0.253 0.152 0.932 0.098 0.431 0.028 0.21 Compound_333 CCCCCCCCCCCC[N+](CCOc1ccc(cc1)C=NNC(=O)C(=O)NN=Cc1ccc(cc1)OCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.39 0.729 0.312 0.61 0.322 0.844 0.009 0.099 0.409 0.157 0.38 Compound_334 CCCCCCCCCCCC[N+](CCSCC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.539 0.712 0.025 0.662 0.312 0.751 0.988 0.153 0.659 0.174 0.33 Compound_335 CCCCCCCCCCCC[N+](CC[N+](CCCCCCCCCCCC)(C)C)(C)C 0.716 0.722 0.042 0.658 0.047 0.715 0.692 0.382 0.919 0.058 0.254 Compound_336 CCCCCCCCCCCC[N+](CC[N+](CCCCCCCCCCCC)(C)C)(CC[N+](CCCCCCCCCCCC)(C)C)C 0.702 0.722 0.042 0.658 0.078 0.739 0.692 0.382 0.878 0.058 0.254 Compound_337 CCCCCCCCCCCC[N+](CC(=O)NCCNC(=O)C[N+](CCCCCCCCCCCC)(CC)CC)(CC)CC 0.355 0.255 0.083 0.375 0.072 0.171 0.077 0.132 0.398 0.072 0.329 Compound_338 CCCCCCCCCCCC[N+](CC(=O)OCCOC(=O)C[N+](CCCCCCCCCCCC)(CC)CC)(CC)CC 0.552 0.267 0.208 0.77 0.332 0.224 0.948 0.337 0.511 0.33 0.284 Compound_339 CCCCCCCCCCCC[N+](CCC)(CCC)CCCC[N+](CCCCCCCCCCCC)(CCC)CCC 0.896 0.784 0.314 0.665 0.079 0.787 0.989 0.834 0.962 0.635 0.267 Compound_340 CCCCCCCCCCCC[N+](CCCCCCCCCCCC)CCCCCC[N+](CCCCCCCCCCCC)CCCCCCCCCCCC 0.338 0.246 0.054 0.105 0.049 0.343 0.421 0.775 0.697 0.89 0.316 Compound_341 CCCCCCCCCCCC[N+](CCCCCCCCCCCC)CCC[N+](CCCCCCCCCCCC)CCCCCCCCCCCC 0.283 0.283 0.089 0.115 0.042 0.391 0.469 0.678 0.67 0.86 0.294 Compound_342 CCCCCCCCCCCC[N+](CCCCCCCCCCCC)CC[N+](CCCCCCCCCCCC)CCCCCCCCCCCC 0.14 0.249 0.057 0.105 0.048 0.297 0.051 0.925 0.425 0.831 0.329 Compound_343 CCCCCCCCCCCC[N+](CC(O)C)(CC(O)C)CCCCCC[N+](CC(O)C)(CC(O)C)CCCCCCCCCCCC 0.584 0.238 0.056 0.591 0.1 0.547 0.254 0.282 0.486 0.053 0.217 Compound_344 CCCCCCCCCCCC[N+](CC(O)C)CCCCCC[N+](CC(O)C)CCCCCCCCCCCC 0.085 0.129 0.053 0.115 0.06 0.133 0.006 0.141 0.406 0.127 0.203 Compound_345 CCCCCCCCCCCC[N+](CC(O)C)(CC(O)C)CCCCC[N+](CC(O)C)(CC(O)C)CCCCCCCCCCCC 0.583 0.238 0.056 0.591 0.1 0.547 0.254 0.282 0.486 0.053 0.217 Compound_346 CCCCCCCCCCCC[N+](CC(O)C)CCCCC[N+](CC(O)C)CCCCCCCCCCCC 0.09 0.129 0.053 0.115 0.06 0.133 0.006 0.141 0.317 0.127 0.203 Compound_347 CCCCCCCCCCCC[N+](CCO)(CCO)CCCCCCCCCC[N+](CCCCCCCCCCCC)(CCO)CCO 0.571 0.262 0.097 0.574 0.103 0.674 0.714 0.374 0.95 0.011 0.208 Compound_348 CCCCCCCCCCCC[N+](CCO)(CCO)CCCCCCCC[N+](CCCCCCCCCCCC)(CCO)CCO 0.571 0.262 0.097 0.574 0.103 0.674 0.714 0.374 0.95 0.011 0.208 Compound_349 CCCCCCCCCCCC[N+](CCO)(CCO)CCCCCC[N+](CCCCCCCCCCCC)(CCO)CCO 0.584 0.262 0.097 0.574 0.103 0.674 0.714 0.374 0.95 0.011 0.208 Compound_350 CCCCCCCCCCCC[N+](CCO)(CCO)CCCC[N+](CCCCCCCCCCCC)(CCO)CCO 0.514 0.262 0.097 0.574 0.103 0.674 0.714 0.374 0.95 0.011 0.208 Compound_351 CCCCCCCCCCCC[N+]1(C)CC[N+](CC1)(C)CCCCCCCCCCCC 0.716 0.533 0.042 0.664 0.028 0.582 0.453 0.767 0.902 0.123 0.099 Compound_352 CCCCCCCCCCCC[N+]1(CCCC1)CC#CC[N+]1(CCCCCCCCCCCC)CCCC1 0.82 0.71 0.314 0.665 0.165 0.904 0.996 0.84 0.752 0.215 0.397 Compound_353 CCCCCCCCCCCC[N+]1(CCCCC1)CC#CC[N+]1(CCCCCCCCCCCC)CCCCC1 0.82 0.47 0.314 0.665 0.058 0.882 0.79 0.84 0.738 0.086 0.239 Compound_354 CCCCCCCCCCCC[N+]1(CCCC1)CC(=O)OCCOC(=O)C[N+]1(CCCCCCCCCCCC)CCCC1 0.587 0.573 0.223 0.77 0.418 0.315 0.979 0.486 0.543 0.365 0.399 Compound_355 CCCCCCCCCCCC[N+]1(CCCCC1)CC(=O)OCCOC(=O)C[N+]1(CCCCCCCCCCCC)CCCCC1 0.587 0.472 0.223 0.77 0.207 0.196 0.715 0.486 0.529 0.462 0.266 Compound_356 CCCCCCCCCCCC[N+]1(CCOCC1)CC(=O)OCCOC(=O)C[N+]1(CCCCCCCCCCCC)CCOCC1 0.498 0.462 0.178 0.777 0.207 0.196 0.715 0.322 0.42 0.462 0.291 Compound_357 CCCCCCCCCCCC[N+]1(CCCCCCCCCCCCCCCC[N+]2(CCCCCCCCCCCC)CCCC2)CCCC1 0.924 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_358 CCCCCCCCCCCC[N+]1(CCCCCCCCCCCCCC[N+]2(CCCCCCCCCCCC)CCCC2)CCCC1 0.924 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_359 CCCCCCCCCCCC[N+]1(CCCCCCCCCC[N+]2(CCCCCCCCCCCC)CCCC2)CCCC1 0.924 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_360 CCCCCCCCCCCC[N+]1(CCCCCCCC[N+]2(CCCCCCCCCCCC)CCCC2)CCCC1 0.924 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_361 CCCCCCCCCCCC[N+]1(CCCCCC[N+]2(CCCCCCCCCCCC)CCCC2)CCCC1 0.927 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_362 CCCCCCCCCCCC[N+]1(CCCC[N+]2(CCCCCCCCCCCC)CCCC2)CCCC1 0.896 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_363 CCCCCCCCCCCC[N+]1(CCC[N+]2(CCCCCCCCCCCC)CCCC2)CCCC1 0.86 0.674 0.343 0.643 0.129 0.747 0.99 0.849 0.859 0.215 0.336 Compound_364 CCCCCCCCCCCC[N+]1(CCOCC1)Cc1ccc(cc1)c1ccc(cc1)C[N+]1(CCCCCCCCCCCC)CCOCC1 0.219 0.55 0.581 0.762 0.09 0.694 0.019 0.66 0.482 0.022 0.238 Compound_365 CCCCCCCCCCCC[N+]1(CCOCC1)Cc1ccc(cc1)C[N+]1(CCCCCCCCCCCC)CCOCC1 0.147 0.494 0.513 0.633 0.045 0.798 0.019 0.22 0.49 0.071 0.173 Compound_366 CCCCCCCCCCCC[n+]1ccc(cc1)C(=O)NCCCCCCNC(=O)c1cc[n+](cc1)CCCCCCCCCCCC 0.308 0.394 0.197 0.376 0.02 0.885 0.008 0.613 0.415 0.086 0.533 Compound_367 CCCCCCCCCCCC[n+]1ccc(cc1)N=Cc1cc[n+](cc1)CCCCCCCCCCCC 0.492 0.624 0.527 0.669 0.154 0.953 0.006 0.957 0.74 0.161 0.389 Compound_368 CCCCCCCCCCCC[n+]1cccc(c1)NC(=O)Nc1ccc[n+](c1)CCCCCCCCCCCC 0.584 0.516 0.649 0.614 0.191 0.932 0.02 0.894 0.908 0.778 0.301 Compound_369 CCCCCCCCCCCC[n+]1ccccc1CCCCCCCCCCCCc1cccc[n+]1CCCCCCCCCCCC 0.309 0.572 0.17 0.625 0.113 0.975 0.114 0.992 0.986 0.289 0.522 Compound_370 CCCCCCCCCCCC[n+]1ccccc1CCCCCCCCc1cccc[n+]1CCCCCCCCCCCC 0.309 0.572 0.17 0.625 0.113 0.975 0.114 0.992 0.986 0.289 0.522 Compound_371 CCCCCCCCCCCC[n+]1ccccc1CCCCc1cccc[n+]1CCCCCCCCCCCC 0.272 0.572 0.17 0.625 0.113 0.975 0.114 0.992 0.986 0.289 0.522 Compound_372 CCCCCCCCCCCC[n+]1ccccc1CCCCc1cccc[n+]1CCCCCCCCCCCC 0.272 0.572 0.17 0.625 0.113 0.975 0.114 0.992 0.986 0.289 0.522 Compound_373 CCCCCCCCCCCC[n+]1ccccc1CCCc1cccc[n+]1CCCCCCCCCCCC 0.222 0.572 0.17 0.621 0.113 0.975 0.114 0.992 0.986 0.289 0.522 Compound_374 CCCCCCCCCCCC[n+]1ccccc1CCCc1cccc[n+]1CCCCCCCCCCCC 0.222 0.572 0.17 0.621 0.113 0.975 0.114 0.992 0.986 0.289 0.522 Compound_375 CCCCCCCCCCCC[n+]1ccccc1CCc1cccc[n+]1CCCCCCCCCCCC 0.234 0.572 0.17 0.651 0.113 0.975 0.114 0.993 0.986 0.289 0.522 Compound_376 CCCCCCCCCCCCn1cc[n+](c1)CC(C[n+]1ccn(c1)CCCCCCCCCCCC)O 0.377 0.539 0.038 0.688 0.556 0.745 0.127 0.619 0.352 0.303 0.331 Compound_377 CCCCCCCCCCCCn1cc[n+](c1)CCCCCC[n+]1ccn(c1)CCCCCCCCCCCC 0.341 0.647 0.127 0.747 0.727 0.9 0.3 0.996 0.495 0.267 0.309 Compound_378 CCCCCCCCCCCCn1cc[n+](c1)CCCC[n+]1ccn(c1)CCCCCCCCCCCC 0.359 0.647 0.127 0.747 0.727 0.9 0.3 0.996 0.495 0.267 0.309 Compound_379 CCCCCCCCCCCCn1cc[n+](c1)CCC[n+]1ccn(c1)CCCCCCCCCCCC 0.413 0.664 0.127 0.747 0.711 0.898 0.337 0.996 0.495 0.193 0.29 Compound_380 CCCCCCCCCCCCn1cc[n+](c1)CC[n+]1ccn(c1)CCCCCCCCCCCC 0.362 0.647 0.136 0.734 0.727 0.9 0.3 0.995 0.453 0.267 0.309 Compound_381 CCCCCCCCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCCCCCCCC 0.596 0.586 0.1 0.724 0.578 0.858 0.295 0.951 0.387 0.216 0.418 Compound_382 CCCCCCCCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCCCCCCCC 0.583 0.586 0.1 0.724 0.652 0.829 0.295 0.951 0.4 0.216 0.418 Compound_383 CCCCCCCCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCCCCCCCC 0.587 0.586 0.1 0.724 0.583 0.865 0.312 0.951 0.412 0.216 0.418 Compound_384 CCCCCCCCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCCCCCCCC 0.582 0.586 0.122 0.702 0.591 0.862 0.333 0.952 0.424 0.217 0.45 Compound_385 CCCCCCCCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCCCCCCCC 0.546 0.606 0.122 0.726 0.654 0.868 0.33 0.95 0.444 0.18 0.38 Compound_386 CCCCCCCCCCC[N+](CCCCC[N+](CCCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_387 CCCCCCCCCCC[N+](CCCCNC[N+](CCCCCCCCCCC)(C)C)(C)C 0.193 0.536 0.009 0.443 0.056 0.343 0.457 0.026 0.846 0.165 0.225 Compound_388 CCCCCCCCCCC[N+](CCCCO[N+](CCCCCCCCCCC)(C)C)(C)C 0.68 0.452 0.078 0.664 0.066 0.843 0.932 0.218 0.849 0.079 0.522 Compound_389 CCCCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCCCC)(C)C)C)(C)C 0.702 0.722 0.003 0.253 0.047 0.715 0.692 0.04 0.919 0.058 0.254 Compound_390 CCCCCCCCCCC[N+](CCOCC[N+](CCCCCCCCCCC)(C)C)(C)C 0.576 0.423 0.025 0.662 0.053 0.523 0.931 0.153 0.881 0.038 0.222 Compound_391 CCCCCCCCCCC[N+]1(CCC#CCC[N+]2(CCCCCCCCCCC)CCCC2)CCCC1 0.861 0.71 0.314 0.665 0.18 0.949 0.996 0.84 0.752 0.215 0.397 Compound_392 CCCCCCCCCCC[N+]1(CCC#CCC[N+]2(CCCCCCCCCCC)CCCCC2)CCCCC1 0.861 0.47 0.314 0.665 0.064 0.944 0.79 0.84 0.738 0.086 0.239 Compound_393 CCCCCCCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCCCCCCC 0.596 0.586 0.1 0.724 0.578 0.858 0.295 0.951 0.387 0.216 0.418 Compound_394 CCCCCCCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCCCCCCC 0.583 0.586 0.1 0.724 0.652 0.829 0.295 0.951 0.4 0.216 0.418 Compound_395 CCCCCCCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCCCCCCC 0.587 0.586 0.1 0.724 0.583 0.865 0.312 0.951 0.412 0.216 0.418 Compound_396 CCCCCCCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCCCCCCC 0.582 0.586 0.122 0.702 0.591 0.862 0.333 0.952 0.424 0.217 0.45 Compound_397 CCCCCCCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCCCCCCC 0.546 0.606 0.122 0.726 0.654 0.868 0.33 0.95 0.444 0.18 0.38 Compound_398 CCCCCCCCCCN(C(=[N+])N(C)C)CCC[N+](CCCCCCCCCC)(C)C 0.344 0.541 0.006 0.541 0.053 0.988 0.37 0.217 0.836 0.09 0.199 Compound_399 CCCCCCCCCCNC(=O)C(CCCNC([N+])N)[N+] 0.126 0.122 0.006 0.228 0.033 0.175 0.161 0.007 0.615 0.837 0.135 Compound_400 CCCCCCCCCCOC(=O)C([N+](CC[N+](C(C(=O)OCCCCCCCCCC)C)(C)C)(C)C)C 0.202 0.279 0.009 0.726 0.241 0.058 0.126 0.315 0.358 0.036 0.337 Compound_401 CCCCCCCCCCOC(=O)C(CCCNC([N+])N)[N+] 0.068 0.128 0.005 0.49 0.064 0.035 0.124 0.022 0.499 0.167 0.096 Compound_402 CCCCCCCCCCOC(=O)C[N+](c1ccc(cc1)C=NCCN=Cc1ccc(cc1)[N+](CC(=O)OCCCCCCCC)(CC)CC)(CC)CC 0.539 0.71 0.402 0.677 0.836 0.623 0.081 0.4 0.424 0.6 0.412 Compound_403 CCCCCCCCCCOC(=O)C[N+](c1ccc(cc1)C=NCCN=Cc1ccc(cc1)[N+](CC(=O)OCCCCCCCCCC)(CC)CC)(CC)CC 0.539 0.71 0.402 0.677 0.836 0.623 0.081 0.4 0.424 0.6 0.412 Compound_404 CCCCCCCCCCOCC(COCCCCCCCCCC)(CCC[N+](C)(C)C)CCC[N+](C)(C)C 0.79 0.432 0.02 0.718 0.056 0.652 0.528 0.639 0.411 0.026 0.326 Compound_405 CCCCCCCCCCOCC(CC[N+](C)(C)C)(CC[N+](C)(C)C)COCCCCCCCCCC 0.858 0.432 0.02 0.689 0.08 0.739 0.571 0.62 0.367 0.026 0.326 Compound_406 CCCCCCCCCCOCC(COCCC[N+](C)(C)C)(COCCC[N+](C)(C)C)COCCCCCCCCCC 0.556 0.384 0.011 0.684 0.085 0.607 0.616 0.694 0.37 0.013 0.338 Compound_407 CCCCCCCCCCOCC(COCC[N+](C)(C)C)(COCC[N+](C)(C)C)COCCCCCCCCCC 0.529 0.354 0.02 0.654 0.116 0.242 0.764 0.439 0.317 0.016 0.279 Compound_408 CCCCCCCCCCOCC(C[N+](C)(C)C)(C[N+](C)(C)C)COCCCCCCCCCC 0.562 0.425 0.014 0.492 0.043 0.581 0.301 0.622 0.33 0.15 0.299 Compound_409 CCCCCCCCCCOc1ccc(cc1)C[n+]1ccn(c1)CCCCCCn1cc[n+](c1)Cc1ccc(cc1)OCCCCCCCCCC 0.601 0.605 0.282 0.726 0.567 0.845 0.137 0.965 0.347 0.282 0.565 Compound_410 CCCCCCCCCCOc1ccc(cc1)C[n+]1ccn(c1)CCCn1cc[n+](c1)Cc1ccc(cc1)OCCCCCCCCCC 0.56 0.635 0.431 0.735 0.556 0.841 0.132 0.963 0.339 0.205 0.575 Compound_411 CCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCC)(C)C)(C)C 0.181 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.409 0.128 0.431 Compound_412 CCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCC)(C)C)(C)C 0.186 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.402 0.128 0.431 Compound_413 CCCCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCCCC)(C)C)(C)C 0.232 0.58 0.193 0.551 0.809 0.894 0.068 0.085 0.37 0.128 0.431 Compound_414 CCCCCCCCCCOc1ccc[n+](c1)CC(C[n+]1cccc(c1)OCCCCCCCCCC)O 0.448 0.625 0.075 0.581 0.101 0.533 0.031 0.649 0.535 0.217 0.63 Compound_415 CCCCCCCCCC[N+](CC#CC[N+](CCCCCCCCCC)(C)C)(C)C 0.816 0.738 0.042 0.658 0.058 0.949 0.989 0.394 0.85 0.075 0.35 Compound_416 CCCCCCCCCC[N+](CC(=O)COCCOCC(=O)C[N+](CCCCCCCCCC)(C)C)(C)C 0.53 0.264 0.029 0.667 0.082 0.728 0.778 0.189 0.529 0.04 0.278 Compound_417 CCCCCCCCCC[N+](CC(=O)OCCN(CCOC(=O)C[N+](CCCCCCCCCC)(C)C)CCOC(=O)C[N+](CCCCCCCCCC)(C)C)(C)C 0.391 0.267 0.008 0.279 0.298 0.214 0.896 0.055 0.431 0.03 0.282 Compound_418 CCCCCCCCCC[N+](CC(C(C[N+](CCCCCCCCCC)(C)C)O)O)(C)C 0.397 0.27 0.014 0.6 0.077 0.463 0.185 0.092 0.448 0.012 0.163 Compound_419 CCCCCCCCCC[N+](CC(CC([N+](CCCCCCCCCC)(C)C)O)O)(C)C 0.382 0.265 0.005 0.601 0.049 0.289 0.151 0.195 0.374 0.018 0.201 Compound_420 CCCCCCCCCC[N+](CC(CO)O)(C)C 0.443 0.287 0.004 0.546 0.059 0.432 0.01 0.018 0.231 0.007 0.131 Compound_421 CCCCCCCCCC[N+](CC(C[N+](CCCCCCCCCC)(C)C)O)(C)C 0.505 0.349 0.005 0.6 0.035 0.477 0.064 0.092 0.566 0.026 0.175 Compound_422 CCCCCCCCCC[N+](CCCCCCCCCCCC[N+](CCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_423 CCCCCCCCCC[N+](CCCCCCCCCC[N+](CCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_424 CCCCCCCCCC[N+](CCCCCCCC[N+](CCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.079 0.787 0.989 0.382 0.95 0.075 0.243 Compound_425 CCCCCCCCCC[N+](CCCCCC[N+](CCCCCCCCCC)(C)C)(C)C 0.927 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_426 CCCCCCCCCC[N+](CCCCC[N+](CCCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_427 CCCCCCCCCC[N+](CCCCNC[N+](CCCCCCCCCC)(C)C)(C)C 0.193 0.536 0.009 0.443 0.056 0.343 0.457 0.026 0.846 0.165 0.225 Compound_428 CCCCCCCCCC[N+](CCCCO[N+](CCCCCCCCCC)(C)C)(C)C 0.68 0.452 0.078 0.664 0.066 0.843 0.932 0.218 0.849 0.079 0.522 Compound_429 CCCCCCCCCC[N+](CCCC[N+](CCCCCCCCCC)(C)C)(C)C 0.896 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_430 CCCCCCCCCC[N+](CCCNC(=[N+])N(C)C)(C)C 0.174 0.437 0.026 0.554 0.042 0.979 0.324 0.139 0.866 0.2 0.165 Compound_431 CCCCCCCCCC[N+](CCC[N+](CCCCCCCCCC)(C)C)(C)C 0.858 0.729 0.038 0.637 0.042 0.799 0.975 0.418 0.95 0.075 0.223 Compound_432 CCCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCCC)(C)C)CC[N+](CCCCCCCCCC)(C)C)(C)C 0.702 0.722 0.006 0.266 0.093 0.78 0.657 0.103 0.878 0.058 0.254 Compound_433 CCCCCCCCCC[N+](CCOC(=O)CCC(=O)OCC[N+](CCCCCCCCCC)(C)C)(C)C 0.443 0.267 0.039 0.781 0.148 0.253 0.942 0.05 0.525 0.03 0.282 Compound_434 CCCCCCCCCC[N+](CCOC(=O)CCCCCCC(=O)OCC[N+](CCCCCCCCCC)(C)C)(C)C 0.255 0.267 0.039 0.781 0.07 0.122 0.865 0.05 0.359 0.03 0.282 Compound_435 CCCCCCCCCC[N+](CCOCC[N+](CCCCCCCCCC)(C)C)(C)C 0.576 0.423 0.025 0.662 0.053 0.523 0.931 0.153 0.881 0.038 0.222 Compound_436 CCCCCCCCCC[N+](CCOc1ccc(cc1)C=NNC(=O)C(=O)NN=Cc1ccc(cc1)OCC[N+](CCCCCCCCCC)(C)C)(C)C 0.39 0.729 0.312 0.61 0.322 0.844 0.009 0.099 0.409 0.157 0.38 Compound_437 CCCCCCCCCC[N+](CCSCC[N+](CCCCCCCCCC)(C)C)(C)C 0.539 0.712 0.025 0.662 0.223 0.735 0.988 0.153 0.659 0.174 0.33 Compound_438 CCCCCCCCCC[N+](CC[N+](CCCCCCCCCC)(C)C)(C)C 0.716 0.722 0.042 0.658 0.047 0.715 0.692 0.382 0.919 0.058 0.254 Compound_439 CCCCCCCCCC[N+](CC[N+](CCCCCCCCCC)(C)C)(CC[N+](CCCCCCCCCC)(C)C)C 0.702 0.722 0.042 0.658 0.078 0.739 0.692 0.382 0.878 0.058 0.254 Compound_440 CCCCCCCCCC[N+](CC(=O)NCCNC(=O)C[N+](CCCCCCCCCC)(CC)CC)(CC)CC 0.355 0.255 0.083 0.375 0.072 0.171 0.077 0.132 0.398 0.072 0.329 Compound_441 CCCCCCCCCC[N+](CCC)(CCC)CCCC[N+](CCCCCCCCCC)(CCC)CCC 0.896 0.784 0.314 0.665 0.079 0.787 0.989 0.834 0.962 0.635 0.267 Compound_442 CCCCCCCCCC[N+](CC(O)C)(CC(O)C)CCCCCC[N+](CC(O)C)(CC(O)C)CCCCCCCCCC 0.584 0.238 0.056 0.591 0.1 0.547 0.254 0.282 0.486 0.053 0.217 Compound_443 CCCCCCCCCC[N+](CC(O)C)CCCCCC[N+](CC(O)C)CCCCCCCCCC 0.085 0.129 0.053 0.115 0.06 0.133 0.006 0.141 0.406 0.127 0.203 Compound_444 CCCCCCCCCC[N+]1(CCCC1)CC#CC[N+]1(CCCCCCCCCC)CCCC1 0.82 0.71 0.314 0.665 0.165 0.904 0.996 0.84 0.752 0.215 0.397 Compound_445 CCCCCCCCCC[N+]1(CCCCC1)CC#CC[N+]1(CCCCCCCCCC)CCCCC1 0.82 0.47 0.314 0.665 0.058 0.882 0.79 0.84 0.738 0.086 0.239 Compound_446 CCCCCCCCCC[N+]1(CCCC[N+]2(CCCCCCCCCC)CCCC2)CCCC1 0.896 0.691 0.314 0.665 0.144 0.722 0.996 0.834 0.859 0.215 0.345 Compound_447 CCCCCCCCCC[N+]1(CCOCC1)Cc1ccc(cc1)c1ccc(cc1)C[N+]1(CCCCCCCCCC)CCOCC1 0.219 0.55 0.581 0.762 0.09 0.694 0.019 0.66 0.482 0.022 0.238 Compound_448 CCCCCCCCCC[N+]1(CCOCC1)Cc1ccc(cc1)C[N+]1(CCCCCCCCCC)CCOCC1 0.147 0.494 0.513 0.633 0.045 0.798 0.019 0.22 0.49 0.071 0.173 Compound_449 CCCCCCCCCC[n+]1ccc(cc1)C(=O)NCCCCCCNC(=O)c1cc[n+](cc1)CCCCCCCCCC 0.308 0.394 0.197 0.376 0.02 0.885 0.008 0.613 0.415 0.086 0.533 Compound_450 CCCCCCCCCC[n+]1cccc(c1)NC(=O)Nc1ccc[n+](c1)CCCCCCCCCC 0.584 0.516 0.649 0.614 0.143 0.934 0.02 0.894 0.908 0.778 0.301 Compound_451 CCCCCCCCCCc1cccc[n+]1CCCCCC[n+]1ccccc1CCCCCCCCCC 0.308 0.572 0.17 0.625 0.113 0.975 0.114 0.992 0.986 0.289 0.522 Compound_452 CCCCCCCCCCc1cccc[n+]1CCCC[n+]1ccccc1CCCCCCCCCC 0.268 0.572 0.17 0.625 0.113 0.975 0.114 0.992 0.986 0.289 0.522 Compound_453 CCCCCCCCCCn1cc[n+](c1)CC(C[n+]1ccn(c1)CCCCCCCCCC)O 0.377 0.539 0.038 0.688 0.484 0.742 0.092 0.619 0.352 0.303 0.331 Compound_454 CCCCCCCCCCn1cc[n+](c1)CCCC[n+]1ccn(c1)CCCCCCCCCC 0.359 0.647 0.127 0.747 0.67 0.902 0.3 0.996 0.495 0.267 0.309 Compound_455 CCCCCCCCCCn1cc[n+](c1)CCC[n+]1ccn(c1)CCCCCCCCCC 0.413 0.664 0.127 0.747 0.653 0.901 0.337 0.996 0.495 0.193 0.29 Compound_456 CCCCCCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCCCCCC 0.596 0.586 0.1 0.724 0.578 0.858 0.295 0.951 0.387 0.216 0.418 Compound_457 CCCCCCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCCCCCC 0.583 0.586 0.1 0.724 0.652 0.829 0.295 0.951 0.4 0.216 0.418 Compound_458 CCCCCCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCCCCCC 0.587 0.586 0.1 0.724 0.583 0.865 0.312 0.951 0.412 0.216 0.418 Compound_459 CCCCCCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCCCCCC 0.582 0.586 0.122 0.702 0.526 0.863 0.333 0.952 0.424 0.217 0.45 Compound_460 CCCCCCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCCCCCC 0.546 0.606 0.122 0.726 0.594 0.87 0.33 0.95 0.444 0.18 0.38 Compound_461 CCCCCCCCC[N+](CCCCC[N+](CCCCCCCCC)(C)C)(C)C 0.924 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_462 CCCCCCCCC[N+](CCCCNC[N+](CCCCCCCCC)(C)C)(C)C 0.193 0.536 0.009 0.443 0.056 0.343 0.457 0.026 0.846 0.165 0.225 Compound_463 CCCCCCCCC[N+](CCCCO[N+](CCCCCCCCC)(C)C)(C)C 0.68 0.452 0.078 0.664 0.066 0.843 0.932 0.218 0.849 0.079 0.522 Compound_464 CCCCCCCCC[N+](CCN(CC[N+](CCCCCCCCC)(C)C)C)(C)C 0.702 0.722 0.003 0.253 0.047 0.715 0.692 0.04 0.919 0.058 0.254 Compound_465 CCCCCCCCC[N+](CCOCC[N+](CCCCCCCCC)(C)C)(C)C 0.576 0.423 0.025 0.662 0.053 0.523 0.931 0.153 0.881 0.038 0.222 Compound_466 CCCCCCCCC[N+](CC(O)C)(CC(O)C)CCCCCC[N+](CC(O)C)(CC(O)C)CCCCCCCCC 0.584 0.238 0.056 0.591 0.1 0.547 0.254 0.282 0.486 0.053 0.217 Compound_467 CCCCCCCCC[N+](CC(O)C)CCCCCC[N+](CC(O)C)CCCCCCCCC 0.085 0.129 0.053 0.115 0.033 0.109 0.004 0.141 0.406 0.127 0.203 Compound_468 CCCCCCCCC[N+](CC(O)C)(CC(O)C)CCCCC[N+](CC(O)C)(CC(O)C)CCCCCCCCC 0.583 0.238 0.056 0.591 0.1 0.547 0.254 0.282 0.486 0.053 0.217 Compound_469 CCCCCCCCC[N+](CC(O)C)CCCCC[N+](CC(O)C)CCCCCCCCC 0.09 0.129 0.053 0.115 0.033 0.109 0.004 0.141 0.317 0.127 0.203 Compound_470 CCCCCCCCC[N+]1(CCC#CCC[N+]2(CCCCCCCCC)CCCC2)CCCC1 0.861 0.71 0.314 0.665 0.18 0.949 0.996 0.84 0.752 0.215 0.397 Compound_471 CCCCCCCCC[N+]1(CCC#CCC[N+]2(CCCCCCCCC)CCCCC2)CCCCC1 0.861 0.47 0.314 0.665 0.064 0.944 0.79 0.84 0.738 0.086 0.239 Compound_472 CCCCCCCCCn1cc[n+](c1)COCCCCCCOC[n+]1ccn(c1)CCCCCCCCC 0.596 0.586 0.1 0.724 0.578 0.858 0.295 0.951 0.387 0.216 0.418 Compound_473 CCCCCCCCCn1cc[n+](c1)COCCCCCOC[n+]1ccn(c1)CCCCCCCCC 0.583 0.586 0.1 0.724 0.593 0.829 0.295 0.951 0.4 0.216 0.418 Compound_474 CCCCCCCCCn1cc[n+](c1)COCCCCOC[n+]1ccn(c1)CCCCCCCCC 0.587 0.586 0.1 0.724 0.517 0.866 0.312 0.951 0.412 0.216 0.418 Compound_475 CCCCCCCCCn1cc[n+](c1)COCCCOC[n+]1ccn(c1)CCCCCCCCC 0.582 0.586 0.122 0.702 0.526 0.863 0.333 0.952 0.424 0.217 0.45 Compound_476 CCCCCCCCCn1cc[n+](c1)COCCOC[n+]1ccn(c1)CCCCCCCCC 0.546 0.606 0.122 0.726 0.594 0.87 0.33 0.95 0.444 0.18 0.38 Compound_477 CCCCCCCCN(C(=[N+])N(C)C)CCC[N+](CCCCCCCC)(C)C 0.315 0.541 0.006 0.541 0.053 0.988 0.37 0.217 0.836 0.09 0.199 Compound_478 CCCCCCCCOC(=O)C(CCCNC([N+])N)[N+] 0.062 0.128 0.005 0.49 0.048 0.025 0.021 0.022 0.499 0.167 0.096 Compound_479 CCCCCCCCOC(=O)C[N+](CC[N+](CC(=O)OCCCCCCCC)(C)C)(C)C 0.203 0.266 0.021 0.715 0.17 0.035 0.346 0.13 0.419 0.026 0.299 Compound_480 CCCCCCCCOC(=O)C[N+](c1ccc(cc1)C=NCCN=Cc1ccc(cc1)[N+](CC(=O)OCCCCCCCC)(CC)CC)(CC)CC 0.524 0.71 0.402 0.677 0.836 0.623 0.081 0.4 0.424 0.6 0.412 Compound_481 CCCCCCCCOCC(COCCCCCCCC)(CCC[N+](C)(C)C)CCC[N+](C)(C)C 0.768 0.432 0.02 0.718 0.031 0.626 0.528 0.639 0.411 0.026 0.326 Compound_482 CCCCCCCCOCC(CC[N+](C)(C)C)(CC[N+](C)(C)C)COCCCCCCCC 0.843 0.432 0.02 0.689 0.048 0.719 0.571 0.62 0.367 0.026 0.326 Compound_483 CCCCCCCCOCC(COCCC[N+](C)(C)C)(COCCC[N+](C)(C)C)COCCCCCCCC 0.529 0.384 0.011 0.684 0.085 0.607 0.616 0.694 0.37 0.013 0.338 Compound_484 CCCCCCCCOCC(COCC[N+](C)(C)C)(COCC[N+](C)(C)C)COCCCCCCCC 0.505 0.354 0.02 0.654 0.068 0.206 0.764 0.439 0.317 0.016 0.279 Compound_485 CCCCCCCCOCC(C[N+](C)(C)C)(C[N+](C)(C)C)COCCCCCCCC 0.535 0.425 0.014 0.492 0.043 0.581 0.301 0.622 0.33 0.15 0.299 Compound_486 CCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCC)(C)C)(C)C 0.169 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.409 0.128 0.431 Compound_487 CCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CCCC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCC)(C)C)(C)C 0.175 0.58 0.193 0.574 0.809 0.894 0.068 0.085 0.402 0.128 0.431 Compound_488 CCCCCCCCOc1ccc(cc1)NC(=O)C[N+](CC[N+](CC(=O)Nc1ccc(cc1)OCCCCCCCC)(C)C)(C)C 0.219 0.58 0.193 0.551 0.809 0.894 0.068 0.085 0.37 0.128 0.431 Compound_489 CCCCCCCC[N+](CC#CC[N+](CCCCCCCC)(C)C)(C)C 0.796 0.738 0.042 0.658 0.058 0.949 0.989 0.394 0.85 0.075 0.35 Compound_490 CCCCCCCC[N+](CC(CO)O)(C)C 0.408 0.287 0.004 0.546 0.06 0.179 0.008 0.018 0.231 0.007 0.131 Compound_491 CCCCCCCC[N+](CCCCCC[N+](CCCCCCCC)(C)C)(C)C 0.914 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_492 CCCCCCCC[N+](CCCCC[N+](CCCCCCCC)(C)C)(C)C 0.911 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_493 CCCCCCCC[N+](CCCCNC[N+](CCCCCCCC)(C)C)(C)C 0.174 0.536 0.009 0.443 0.056 0.343 0.457 0.026 0.846 0.165 0.225 Compound_494 CCCCCCCC[N+](CCCCO[N+](CCCCCCCC)(C)C)(C)C 0.657 0.452 0.078 0.664 0.066 0.843 0.932 0.218 0.849 0.079 0.522 Compound_495 CCCCCCCC[N+](CCCC[N+](CCCCCCCC)(C)C)(C)C 0.88 0.729 0.042 0.658 0.048 0.769 0.989 0.382 0.95 0.075 0.243 Compound_496 CCCCCCCC[N+](CCCNC(=[N+])N(C)C)(C)C 0.156 0.437 0.026 0.554 0.042 0.979 0.324 0.139 0.866 0.2 0.165 Compound_497 CCCCCCCC[N+](CCC[N+](CCCCCCCC)(C)C)(C)C 0.838 0.729 0.038 0.637 0.042 0.799 0.975 0.418 0.95 0.075 0.223 Compound_498 CCCCCCCC[N+](CCN(CC[N+](CCCCCCCC)(C)C)C)(C)C 0.669 0.722 0.003 0.253 0.047 0.715 0.692 0.04 0.919 0.058 0.254 Compound_499 CCCCCCCC[N+](CCOCC[N+](CCCCCCCC)(C)C)(C)C 0.542 0.423 0.025 0.662 0.053 0.523 0.931 0.153 0.881 0.038 0.222 Compound_500 CCCCCCCC[N+](CCSCC[N+](CCCCCCCC)(C)C)(C)C 0.505 0.712 0.025 0.662 0.223 0.735 0.988 0.153 0.659 0.174 0.33