_____________________________________________________________________________ Model of Lit_density_ _____________________________________________________________________________ Analysis of variance ------------------------------------------------------------------ Variation source df SS MS Statistics ------------------------------------------------------------------ Total (uncorrected) 1909 6831.20373 F=2195.19157 Mean 1 3618.86357 rsquare=0.99735 Total (corrected) 1908 3212.34016 s=0.07233 Regression 279 3203.81874 11.48322 Residual 1629 8.52143 0.00523 ------------------------------------------------------------------ Note: probability of significant F =<0.0001 Model coefficients and standard errors: parameter coefficient standard error t prob ------------------------------------------------------------------ intercept = 0.345645 0.032312 10.6971 5.62761E-26 mw/mv 0.4317862 0.0160367 26.925 0 Number of H atoms -0.008011678 0.000730224 10.9715 3.34046E-27 Number of C atoms 0.007573687 0.0015003 5.0481 0.000000488669 Number of Br atoms 0.2416917 0.0245345 9.8511 2.29272E-22 Number of Al atoms 0.2929359 0.0212292 13.7987 2.34381E-41 Number of Al- atoms0.4821174 0.056718 8.50026 3.75547E-17 Number of Sb atoms 1.285818 0.0406861 31.6034 0 Number of Sb--- atoms 4.132781 0.0829262 49.8369 0 Number of K+ atoms 0.7774656 0.0297522 26.1313 0 Number of As--- atoms 3.406574 0.0803214 42.4118 0 Number of As atoms 0.685948 0.0393844 17.4168 0 Number of Sn atoms 1.930044 0.0755593 25.5434 0 Number of Cd-- atoms 3.719876 0.105677 35.2005 0 Number of Co++ atoms 2.607484 0.108231 24.0919 0 Number of Co atoms 3.28857 0.0887423 37.0575 0 Number of Cu++ atoms -0.8155459 0.177525 4.59399 0.00000463286 Number of Hf atoms 0.4752921 0.0067052 70.8841 0 Number of In+++ atoms 5.796432 0.0741561 78.1653 0 Number of Fe++ atoms 1.867494 0.1085 17.212 0 Number of Pb atoms 0.593824 0.0107661 55.1569 0 Number of Pb+ atoms4.318544 0.079026 54.6472 0 Number of N--- atoms -1.027689 0.116808 8.79809 3.04867E-18 Number of S-- atoms-0.5978028 0.0952141 6.27851 0.000000000422106 Number of Ta atoms 1.452568 0.0911708 15.9324 0 Number of Mg+ atoms0.8758105 0.0363155 24.1167 0 Number of Mg++ atoms 0.2934273 0.040914 7.1718 1.05428E-12 Number of Mg atoms 2.270707 0.0734252 30.9254 0 Number of Mn++ atoms 1.418687 0.108423 13.0848 1.57628E-37 Number of Hg atoms 0.6623996 0.0586546 11.2932 1.12675E-28 Number of Hg++ atoms 5.547661 0.10012 55.4099 0 Number of Ni++ atoms 6.308993 0.0833119 75.7274 0 Number of Se-- atoms -1.917705 0.14338 13.375 4.59112E-39 Number of Ag+++ atoms 6.678386 0.0968153 68.9807 0 Number of Sn+++ atoms 5.319468 0.0776895 68.4708 0 Number of Sn++ atoms 4.324298 0.0777481 55.6193 0 Number of Ti atoms 0.06852578 0.00254818 26.8921 0 Number of W atoms 1.487939 0.0887125 16.7726 0 Number of Xe atoms 3.37975 0.0823773 41.0277 0 Number of Zr+++ atoms 1.376428 0.106716 12.898 1.48426E-36 Number of W 10.91093 0.108004 101.023 0 Number of S(F)(F)(F)(F)(F)(F) 4.279761 0.0759958 56.3157 0 Number of Pb(=O)(=O) 5.179902 0.0885327 58.5083 0 Number of Sn(=O)(=O) 2.82096 0.104632 26.9606 0 Number of O-Al(=O) pairs 1.199782 0.0327657 36.6171 0 Number of B#Ti pairs 1.743254 0.0369662 47.1581 0 Number of Hf(=O)(=O) 5.109244 0.0968277 52.7664 0 Number of B#As pairs 3.072506 0.0814853 37.7062 0 Number of O--Na+ pairs 0.06413101 0.0168111 3.81481 0.000140627 Number of Pb(F)(F) 4.19804 0.0905339 46.3698 0 Number of Ag atoms 2.528534 0.0700069 36.1184 0 Number of Ti(#N) 2.890742 0.0790677 36.5604 0 Number of C(H)(F)(F)(Cl) 2.220261 0.0728773 30.4657 0 Number of O--Ta(=O)(=O) pairs 2.338652 0.102454 22.8263 0 Number of C(H)(H)-Sn pairs -0.444197 0.0318908 13.9287 4.52199E-42 Number of B#P pairs1.691381 0.0838859 20.1629 0 Number of N atoms 0.04526497 0.00304377 14.8713 0 Number of O atoms 0.0442638 0.0020415 21.682 0 Square_root_of_Number of consecutive carbons -0.2635251 0.0235522 11.189 3.41124E-28 Number of C(=O)(OH)-C(H)(NH2) pairs 0.65324 0.119185 5.4809 0.0000000479372 Number of C(H)=C(H)(H) pairs -0.1077858 0.0323533 3.33153 0.000880199 Number of Al#Sb pairs 1.140518 0.0837716 13.6146 2.3593E-40 Number of Al#P pairs 1.371921 0.0863279 15.892 0 Number of Se atoms 1.52395 0.0777363 19.6041 0 Number of Al-Se pairs -1.668698 0.120334 13.8672 9.86094E-42 Number of C*-C(=O)(OH) pairs 0.4142517 0.0640092 6.47175 0.000000000122815 Number of C(NH2)-N(H)(NH2) pairs 0.5821642 0.0524432 11.1009 8.63819E-28 Number of O--S(=O)(=O)(OH) pairs 4.204528 0.471426 8.91875 1.07823E-18 Number of O--S(=O)(=O) pairs -0.1018418 0.0311534 3.26904 0.00109832 Number of N(=O)(=O)0.3250524 0.0398375 8.15946 6.03851E-16 Number of C(H)*C(Cl)* pairs 0.06065693 0.0109954 5.51659 0.0000000392801 Number of B!-O* pairs 0.2640554 0.0247699 10.6603 8.17816E-26 Number of C(F)(F)(F)(Br) -0.6651583 0.0740256 8.98552 6.03358E-19 Number of H(OH) 0.4830832 0.142623 3.38714 0.000720598 Number of O-!Ca++! pairs 1.255525 0.0741305 16.9367 0 Number of C(Cl)*C(Cl)* pairs 0.04573897 0.0102509 4.46196 0.00000859483 Number of Cr(=O)(=O)(OH)(OH) -0.6804337 0.0747738 9.0999 2.21155E-19 Number of Co(Cl)(Cl) -2.058665 0.10988 18.7356 0 Number of C(OH)*N* pairs 0.1749158 0.0121532 14.3926 1.12104E-44 Number of C(H)(OH)!-C(H)(OH)! pairs 0.07579047 0.0082856 9.14725 1.45479E-19 Number of O-P(=O)(OH) pairs -0.7544205 0.0538239 14.0165 1.47837E-42 Number of Fe atoms 2.703633 0.0874843 30.9042 0 Number of C(H)(H)-P(=O)(OH)(OH) pairs -0.8614048 0.0736849 11.6904 1.52806E-30 Number of I- atoms 0.8694073 0.044186 19.6761 0 Number of I(I) 1.184 0.0830829 14.2508 7.28675E-44 Number of C(H)(CH3)(CH3)(CH3) 1.396126 0.0725232 19.2508 0 Number of C(=O)=C(H)(H) pairs 0.963381 0.0725095 13.2863 1.3622E-38 Number of Kr atoms 1.700519 0.0777155 21.8813 0 Number of Pb(Cl)(Cl) 2.073529 0.0861213 24.0768 0 Number of O(NO2)-Pb pairs 0.5501669 0.0391376 14.0573 8.77213E-43 Number of O*-Pb! pairs 0.2390122 0.0110984 21.5357 0 Number of H+ 0.9878815 0.142339 6.94035 5.33988E-12 Number of B*O* pairs 0.01577136 0.00790026 1.99631 0.0460422 Number of B(=O)*O* pairs 0.194115 0.0410546 4.72822 0.00000243093 Number of Mo atoms 2.002023 0.0820032 24.414 0 Number of N+(=O)(=O) -0.6516995 0.20839 3.12731 0.00179078 Number of O(=O)(=O)0.6726289 0.0734479 9.15791 1.3236E-19 Number of C(=O)(OH)-O- pairs 0.5485255 0.0541726 10.1255 1.65214E-23 Number of N(H)!-S(=O)(=O)! pairs -0.6929231 0.073103 9.47872 7.34522E-21 Number of C!-Si! pairs 0.03423283 0.00139113 24.608 0 Number of Al-(H)(H)(H)(H) -0.3158232 0.106061 2.97775 0.00294035 Number of S(=O)(=O)0.9923596 0.0738864 13.4309 2.30548E-39 Number of Ta(=S)(=S) 2.0857 0.10325 20.2005 0 Number of C(#N)-S(H) pairs 0.8791581 0.0727322 12.0876 1.82534E-32 Number of Ti(=O)(=O) 1.946097 0.0769562 25.2884 0 Number of C(H)(H)!-Al(H)(CH3)(CH3)! pairs -0.05762023 0.0210105 2.74245 0.00615527 Number of C!-W! pairs -0.4082026 0.0297556 13.7185 6.4279E-41 Number of W(=O)(=O)(=O) 1.920246 0.102836 18.6729 0 Number of Zn atoms 1.540644 0.0820632 18.7739 0 Number of O--P(=O) pairs -0.3053653 0.0195327 15.6335 0 Number of P atoms 0.4233039 0.0718401 5.89231 0.00000000449138 Number of Li(I) 0.9482906 0.0802637 11.8147 3.87531E-31 Number of consecutive carbons Squared -0.001915863 0.000240744 7.95809 2.96953E-15 Number of C(H)*C(OH)* pairs 0.05732704 0.0104609 5.48012 0.0000000481467 Number of Cl atoms -0.08931032 0.0201024 4.44277 0.00000939011 Number of Al(Cl)(Cl)(Cl) 0.8642645 0.0785376 11.0045 2.3701E-27 Number of C(H)(H)-C(H)(H)(OH) pairs 0.1177144 0.0162803 7.23049 6.93344E-13 Number of C(H)(OH)-C(H)(OH) pairs 0.7420502 0.102074 7.26971 5.23084E-13 Number of Ar atoms 0.4223503 0.0736781 5.73237 0.000000011487 Number of O-Sn pairs -0.4777481 0.0608694 7.84875 6.94599E-15 Number of C(=O)-C(OH) pairs -1.141786 0.222576 5.12986 0.000000319385 Number of C(=O)!-N(Br)! pairs 0.1022258 0.0397273 2.57319 0.0101516 Number of C(H)(H)-C(H)(=O) pairs -0.01267219 0.00138927 9.12145 1.82814E-19 Number of Cd atoms 0.8067123 0.10732 7.51691 8.57659E-14 Number of Cr(=O)(=O)(=O) 0.5422856 0.0769129 7.05064 2.47979E-12 Number of O--P(=O)(OH) pairs -0.8479461 0.0777713 10.9031 6.79671E-27 Number of C(=O)(OH)-C(H)(H)(NH2) pairs 0.4935077 0.0724645 6.81034 1.30036E-11 Number of O-Pb pairs 0.2630887 0.0385614 6.82258 1.19655E-11 Number of Li+ 1.897814 0.04778 39.7198 0 Number of B(H)(H)(H)(H) -1.456985 0.0834338 17.4628 0 Number of P(F)(F)(F)(F)(F)(F) -0.3811372 0.0802753 4.74788 0.00000220874 Number of B-(H)-C(H)(H)(CH3) pairs -0.3291197 0.0273329 12.0411 3.08359E-32 Number of N(=O)(#N)0.5639172 0.0734918 7.6732 2.65793E-14 Number of C(=O)(NH2)-C(=O)(NH2) pairs 0.4126755 0.0725928 5.6848 0.0000000151193 Number of O(NO2)-Ag pairs -0.801241 0.0900989 8.89291 1.34851E-18 Number of Te-- atoms -0.7651807 0.107539 7.11541 1.5724E-12 Number of Sn(H)(H)(F)(F) 0.4849841 0.104997 4.61903 0.00000411287 Number of C!-Ta! pairs -0.4661027 0.0749044 6.22263 0.00000000059937 Number of Ti(Cl)(Cl)(Cl) 0.7587956 0.0749536 10.1235 1.68401E-23 Number of C(=O)*N(Cl)* pairs 0.08691376 0.0123698 7.0263 2.93997E-12 Number of C-W pairs-0.1562306 0.0184507 8.46746 4.92804E-17 Number of C(H)!-N* pairs -0.5276942 0.073072 7.22156 7.39135E-13 Number of consecutive carbons 0.07196145 0.00603384 11.9263 1.11854E-31 Number of Al(H)(H)(H) -1.365999 0.106311 12.8491 2.65927E-36 Number of C*C* pairs 0.04016476 0.00806607 4.97947 0.000000695003 Number of S atoms 0.05173818 0.00696315 7.43029 1.6263E-13 Number of C(=O)(OH)-C(H)(NH2)(CH3) pairs 0.3770877 0.0724413 5.20543 0.00000021439 Number of C(OH)!=C(OH)! pairs 0.4068416 0.0604607 6.72903 2.25103E-11 Number of Cl- atoms0.3115126 0.0256769 12.132 1.10417E-32 Number of C*-C(=O)(NH2) pairs 0.2312885 0.0516976 4.47387 0.00000813411 Number of Bi+++ atoms 0.5297932 0.0974925 5.43419 0.0000000621042 Number of C(=O)(OH)(OH) 0.3583436 0.0726305 4.93379 0.000000876473 Number of B-(H)(H)(H)(H)! 0.6569949 0.0762825 8.61266 1.46914E-17 Number of Na+ 0.431077 0.0439986 9.79752 3.80305E-22 Number of C-C(#N) pairs 0.4224553 0.0724683 5.82952 0.0000000065118 Number of H(H) -0.3868101 0.0773191 5.00278 0.000000616952 Number of N-(H)(H) 0.9387044 0.18187 5.1614 0.000000270614 Number of B(F)(F)(F)(F) -1.087102 0.0792459 13.7181 6.46447E-41 Number of Mn atoms 1.371579 0.162968 8.41624 7.51928E-17 Number of Ne atoms -0.3801602 0.0735416 5.16932 0.000000259538 Number of N(=O)(OH)-0.4317352 0.0733757 5.8839 0.00000000472156 Number of C(#N)-S- pairs 0.3854182 0.0770198 5.00415 0.000000612637 Number of C(=S)!-N(H)! pairs -0.5130665 0.073463 6.98401 3.94679E-12 Number of C(H)-C(H)(H)(Cl) pairs 0.5136036 0.0739505 6.94523 5.1629E-12 Number of C(H)!-C(H)(OH) pairs -0.1375331 0.0322652 4.26258 0.0000211941 Number of C(=O)-N(CH3) pairs -12.46185 3.43932 3.62335 0.000298423 Number of C(OH)*C(Br)* pairs -0.1496818 0.0518873 2.88475 0.00396125 Number of N+(CH3)(CH3)-O- pairs 0.1355946 0.0306875 4.41856 0.0000104937 Number of P(Br)(Br)(Br)(=O) -0.2745754 0.106308 2.58284 0.00987291 Number of N(=O)-O- pairs 0.1893159 0.0790129 2.39601 0.0166703 Number of O--S(=O)(OH) pairs -0.3984572 0.0759577 5.24578 0.000000172911 Number of W(Cl)(Cl)(Cl)(Cl)(Cl)(Cl) -0.5181269 0.140425 3.6897 0.000230813 Number of C(H)!-O pairs 0.3992608 0.117211 3.40636 0.000672015 Number of C(H)!-C(H)(H)! pairs 0.008465774 0.00260155 3.25413 0.00115729 Number of O-(Cl)Ca++ pairs 0.8036844 0.073881 10.8781 8.79911E-27 Number of As(=O)(OH)(OH)(OH) -0.3840628 0.0811772 4.73116 0.00000239631 Number of C(H)=C(H)(Cl) pairs -0.5182943 0.103419 5.0116 0.000000589671 Number of C(H)(H)-P(=O)(OH) pairs -0.1803675 0.0785839 2.29522 0.0218284 Number of Ta(Cl)(Cl)(Cl)(Cl)(Cl) -0.4589178 0.1373 3.34245 0.000846457 Number of F- atoms 0.7900685 0.0269388 29.3283 0 Number of C(H)(H)-C(H)(H) pairs 0.002367297 0.00093128 2.54198 0.0111011 Number of C(=O)-C(H)(H) pairs -0.0149806 0.00623474 2.40276 0.0163667 Number of C*-C(H)(OH) pairs 13.09833 2.9788 4.39719 0.0000115703 Number of C(H)-O(NO2) pairs -0.1639931 0.0192571 8.51597 3.29594E-17 Number of P(Cl)(Cl)(Cl)(Cl)(Cl) 0.4432121 0.0782839 5.6616 0.0000000172736 mw/mv crossed with mw/mv -0.002302669 0.000611991 3.76259 0.00017324 mw/mv crossed with Number of I atoms 0.07669304 0.00388113 19.7605 0 mw/mv crossed with Number of Cu++ atoms 0.6165231 0.02474 24.9201 0 mw/mv crossed with Number of Pb++ atoms 0.6522356 0.0172674 37.7727 0 mw/mv crossed with Number of Se-- atoms 0.8849809 0.0400782 22.0813 0 mw/mv crossed with Square_root_of_Number of consecutive carbons 0.04922358 0.00783802 6.28011 0.000000000417895 mw/mv crossed with Number of O--S(=O)(=O)(OH) pairs -1.813231 0.224574 8.07408 1.19166E-15 mw/mv crossed with Number of H(OH) -0.2680587 0.0824621 3.25069 0.0011713 mw/mv crossed with Number of H+ -1.305806 0.109134 11.9652 7.24166E-32 mw/mv crossed with Number of N+(=O)(=O) 0.7599303 0.105776 7.18436 9.64111E-13 mw/mv crossed with Number of Zn++ atoms 0.2957423 0.0098674 29.9717 0 mw/mv crossed with Number of P atoms -0.11421 0.023743 4.81027 0.0000016255 mw/mv crossed with Number of Cl atoms 0.02561061 0.00658087 3.89168 0.000102972 mw/mv crossed with Number of C*-C(=O) pairs -0.02336111 0.00656978 3.55584 0.00038595 mw/mv crossed with Number of O--P(=O)(OH) pairs 0.5370837 0.0359576 14.9366 0 mw/mv crossed with Number of Li+ -0.5364948 0.0108456 49.4666 0 mw/mv crossed with Number of N+(H)(H)(H)(H) 0.1496605 0.0118785 12.5993 5.06883E-35 mw/mv crossed with Number of Na+ 0.3603912 0.0348092 10.3533 1.77289E-24 mw/mv crossed with Number of N-(H)(H) -0.9697258 0.124949 7.76097 1.36345E-14 mw/mv crossed with Number of C(H)(H)-O pairs -0.009432152 0.000780031 12.092 1.73645E-32 mw/mv crossed with Number of C(H)!-O pairs -0.2533763 0.0689733 3.67354 0.000245803 mw/mv crossed with Number of O--Cr(=O)(=O) pairs -0.05756202 0.0092735 6.20715 0.000000000660174 Number of H atoms crossed with Number of Al atoms -0.005825473 0.00140133 4.15712 0.0000336557 Number of H atoms crossed with Number of I atoms -0.01301519 0.00403263 3.22747 0.00127009 Number of H atoms crossed with Number of K+ atoms 0.01195941 0.00486555 2.45798 0.0140606 Number of H atoms crossed with Number of Pb atoms -0.01902729 0.00370646 5.13355 0.000000313269 Number of H atoms crossed with Number of C(H)=C(H)(H) pairs 0.002559006 0.00126294 2.02623 0.0428804 Number of H atoms crossed with Number of C*-C(=O)(OH) pairs -0.04775049 0.0102639 4.65228 0.00000350854 Number of H atoms crossed with Number of O--S(=O)(=O) pairs 0.01044778 0.00477335 2.18877 0.0287341 Number of H atoms crossed with Number of H(OH) 0.2886887 0.0801639 3.60123 0.000324811 Number of H atoms crossed with Number of I- atoms 0.5633073 0.0888159 6.34241 0.00000000028169 Number of H atoms crossed with Number of C(H)*C(OH)* pairs -0.002437492 0.000725498 3.35975 0.000795497 Number of H atoms crossed with Number of Cl atoms 0.002828293 0.000679449 4.16263 0.0000328602 Number of H atoms crossed with Number of C(H)(H)-C(H)(H)(OH) pairs -0.000226829 0.0000564268 4.01988 0.0000604926 Number of H atoms crossed with Number of C*-C(=O) pairs 0.0008481035 0.000231084 3.6701 0.000249111 Number of H atoms crossed with Number of C(H)(OH)-C(H)(OH) pairs -0.05069697 0.00804463 6.30197 0.000000000364031 Number of H atoms crossed with Number of C(=O)-C(OH) pairs 0.06330723 0.0123856 5.11136 0.000000351843 Number of H atoms crossed with Number of N+(H)(H)(H)(H) -0.006338746 0.00165732 3.8247 0.00013514 Number of H atoms crossed with Number of Na+ -0.0700617 0.0124101 5.64555 0.0000000189358 Number of H atoms crossed with Number of C(=O)-N(CH3) pairs 0.4873595 0.13752 3.54393 0.000403701 Number of H atoms crossed with Number of F- atoms -0.2505738 0.0197051 12.7162 1.28331E-35 Number of H atoms crossed with Number of C*-C(H)(OH) pairs 0.515174 0.102949 5.00415 0.000000612611 Number of C atoms crossed with Number of K+ atoms -0.05426141 0.0079608 6.81608 1.25064E-11 Number of C atoms crossed with Number of O--S(=O)(=O) pairs -0.02066364 0.00811697 2.54573 0.0109829 Number of C atoms crossed with Number of C(H)*C(Cl)* pairs -0.004818804 0.000988494 4.87489 0.00000117873 Number of C atoms crossed with Number of O-P(=O)(OH) pairs 0.06649128 0.00692189 9.60595 2.27697E-21 Number of C atoms crossed with Number of consecutive carbons Squared 0.000008812471 0.00000271989 3.24001 0.00121583 Number of C atoms crossed with Number of C*C* pairs -0.00187614 0.000366788 5.11505 0.000000345124 Number of C atoms crossed with Number of Cl- atoms -0.009085709 0.00179625 5.05816 0.000000463926 Number of C atoms crossed with Number of Na+ 0.1538915 0.0269102 5.7187 0.0000000124334 Number of C atoms crossed with Number of C(=O)-N(CH3) pairs -0.1131972 0.0399794 2.83139 0.00468325 Number of C atoms crossed with Number of C*-C(H)(OH) pairs -2.141334 0.471081 4.54557 0.00000582224 Number of Br atoms crossed with Number of Ag atoms 0.336549 0.0913905 3.68254 0.000237348 Number of Br atoms crossed with Number of N atoms 0.1843569 0.0331397 5.56303 0.0000000302577 Number of Br atoms crossed with Square_root_of_Number of consecutive carbons -0.1207399 0.0275952 4.37539 0.0000127762 Number of Br atoms crossed with Number of C(H)*C(OH)* pairs 0.07532076 0.0348305 2.16249 0.030704 Number of Br atoms crossed with Number of consecutive carbons 0.02138104 0.00791818 2.70025 0.00699005 Number of Br atoms crossed with Number of C(H)*C(NH2)* pairs -0.0740403 0.0306684 2.41422 0.0158626 Number of Al atoms crossed with Number of N atoms -0.0601644 0.0184648 3.25833 0.00114037 Number of K+ atoms crossed with Number of C*-C(=O) pairs 0.1967271 0.0778533 2.52689 0.0115878 Number of Pb++ atoms crossed with Square_root_of_Number of consecutive carbons 1.341404 0.102901 13.0359 2.84403E-37 Number of N atoms crossed with Number of consecutive carbons Squared -0.00008653556 0.0000375474 2.3047 0.0212903 Number of N atoms crossed with Number of S atoms -0.02241415 0.00494465 4.53301 0.00000617571 Number of O atoms crossed with Square_root_of_Number of consecutive carbons -0.002873949 0.000949821 3.02578 0.00251306 Number of O atoms crossed with Number of consecutive carbons Squared -0.00002390907 0.00000498199 4.7991 0.00000171766 Number of O atoms crossed with Number of C*-C! pairs -0.01734041 0.00357411 4.85167 0.00000132364 Number of O atoms crossed with Number of Cl- atoms 0.02018431 0.00529302 3.81338 0.000141432 Number of O atoms crossed with Number of Na+ -0.1160038 0.00884743 13.1116 1.14036E-37 Square_root_of_Number of consecutive carbons crossed with Number of C(=O)(OH)-C(H)(NH2) pairs -0.1851487 0.047983 3.85863 0.000117813 Square_root_of_Number of consecutive carbons crossed with Number of Ca++ atoms 0.03848778 0.0174305 2.20807 0.0273579 Square_root_of_Number of consecutive carbons crossed with Number of P atoms -0.1346516 0.0183725 7.32898 3.40769E-13 Square_root_of_Number of consecutive carbons crossed with Number of C(H)(H)-C(H)(H)(OH) pairs -0.02516796 0.00499733 5.03628 0.000000519403 Square_root_of_Number of consecutive carbons crossed with Number of C(H)(H)-O pairs 0.001922276 0.000439847 4.37033 0.0000130729 Number of C(H)=C(H)(H) pairs crossed with Number of C(H)=C(H)(H) pairs 0.03566633 0.0169233 2.10753 0.0352022 Number of C*-C(=O)(OH) pairs crossed with Number of C(H)!-C(H)(H)! pairs -0.1532899 0.0384657 3.9851 0.0000699873 Number of C*-C(=O)(OH) pairs crossed with Number of C(H)*C(NH2)* pairs 0.07615186 0.0269041 2.83049 0.00469639 Number of O--S(=O)(=O) pairs crossed with Number of Na+ 0.1152489 0.0236766 4.86763 0.00000122231 Number of N(=O)(=O) crossed with Number of N+(H)(H)(H)(H) -0.2171246 0.0844498 2.57105 0.0102143 Number of C(H)*C(Cl)* pairs crossed with Number of C(H)*C(OH)* pairs -0.02576216 0.0122156 2.10895 0.0350785 Number of C(H)*C(Cl)* pairs crossed with Number of C(H)(H)-O pairs 0.04010708 0.0127558 3.14423 0.0016909 Number of P atoms crossed with Number of consecutive carbons Squared 0.001632043 0.000363466 4.49022 0.00000754018 Number of P atoms crossed with Number of S atoms -0.008676672 0.00286002 3.03378 0.00244768 Number of consecutive carbons Squared crossed with Number of Cl atoms -0.001320275 0.000267626 4.93328 0.000000878737 Number of consecutive carbons Squared crossed with Number of consecutive carbons 0.000018682540.00000514247 3.63299 0.000287558 Number of consecutive carbons Squared crossed with Number of Na+ -0.0219802 0.00283505 7.75302 1.44888E-14 Number of C(H)*C(OH)* pairs crossed with Number of C(=O)-C(H)(H) pairs -0.1032031 0.0190466 5.41844 0.0000000677421 Number of Cl atoms crossed with Number of consecutive carbons 0.01270525 0.00308497 4.11844 0.0000397739 Number of Cl atoms crossed with Number of C*C* pairs 0.0237723 0.010393 2.28733 0.0222855 Number of C(H)(H)-C(H)(H)(OH) pairs crossed with Number of C(H)(H)-C(H)(H)(OH) pairs -0.01017375 0.00420678 2.41842 0.0156813 Number of C(H)(H)-C(H)(H)(OH) pairs crossed with Number of C(H)(H)-C(H)(H) pairs 0.001086913 0.000450601 2.41214 0.015953 Number of S atoms crossed with Number of Na+ -0.1035359 0.0177485 5.8335 0.00000000636122 Number of S atoms crossed with Number of C(H)!-C(H)(H)! pairs 0.03196173 0.0111613 2.86361 0.00423416 Number of Na+ crossed with Number of C(H)(H)-O pairs -0.1297745 0.0289169 4.48785 0.00000762384 Number of Na+ crossed with Number of C(H)!-O pairs 3.520142 0.40346 8.72489 5.69212E-18 Number of Na+ crossed with Number of C(H)(H)-C(H)(H) pairs 0.3415986 0.0495516 6.89379 7.35726E-12 ------------------------------------------------------------------ note: response variable: Lit_density_ Printout of response values, predicted values and residuals: observed predicted residual abrine 1.272 1.265382 0.006617732 abscisic acid 1.193 1.165947 0.0270527 aceanthrylene 1.246 1.202551 0.0434493 acenaphthene 1.222 1.144336 0.07766356 acetal 0.831 0.871016 -0.04001608 acetaldehyde 0.783 0.8951129 -0.1121129 acetaldehyde ethyl phenyleth0.96 0.9762813 -0.01628134 acetaldehyde phenethyl propy0.95 0.9501592 -0.0001592077 acetaldoxime 0.966 0.9777655 -0.01176549 acetamide 1.159 1.001344 0.1576564 acetaminophen 1.293 1.22189 0.07111003 acetanilide 1.219 1.072446 0.1465537 acetanisole 1.094 1.087631 0.006368878 acetic acid 1.05 1.047944 0.002056138 acetic anhydride 1.082 1.111347 -0.02934672 acetochlor 1.127 1.160493 -0.03349255 acetol 1.08 1.000962 0.079038 acetone 0.791 0.8698118 -0.07881183 acetone cyanohydrin 0.932 0.9408875 -0.008887539 acetonitrile 0.787 0.851324 -0.06432403 acetonylacetone 0.973 0.9896023 -0.01660232 acetophenone 1.028 1.059007 -0.03100717 acetyl bromide 1.663 1.698851 -0.03585102 4-acetylbutyric acid 1.09 1.078642 0.01135809 acetyl cedrene 1.0025 0.9810413 0.0214588 acetyl chloride 1.104 1.190522 -0.08652159 2-acetylcyclohexanone 1.078 1.043529 0.03447112 2-acetylcyclopentanone 1.043 1.057165 -0.01416546 3-acetyl-2,5-dimethylfuran 1.038 1.041476 -0.003476398 acetylene 0.618 0.6761456 -0.05814556 acetyl fluoride 1.032 1.111558 -0.07955837 1-acetylindole 1.387 1.161439 0.225561 1-acetyl-3-methylpiperidine 0.974 0.9238198 0.05018015 2-acetylpyridine 1.0818 1.106472 -0.024672 3-acetylpyridine 1.102 1.092286 0.009714013 4-acetylpyridine 1.095 1.080555 0.01444468 4-acetylpyridine 1.111 1.077788 0.03321199 2-acetylthiophene 1.168 1.172586 -0.004586423 acetyltrimethylsilane 0.811 0.8417495 -0.03074948 acrylic acid 1.051 0.9995663 0.05143377 acrylonitrile 0.806 0.8253655 -0.01936556 acryloyl chloride 1.114 1.119434 -0.005434322 aderbasib 1.38 1.364799 0.01520105 adiponitrile 0.951 0.9684173 -0.01741739 alachlor 1.133 1.217942 -0.08494205 L-Alanine 1.424 1.424 2.016165E-13 dl-alaninol 0.943 0.90104 0.04195997 aldioxa 1.45 1.432396 0.01760449 allethrin 1.01 1.027174 -0.01717425 allicin 1.112 1.118964 -0.006963658 allyl acetate 0.9277 0.9116783 0.01602175 allyl alcohol 0.854 0.806256 0.04774398 allylamine 0.76 0.7578586 0.002141344 allyl amyl glycolate 0.9385 0.8959235 0.04257649 allylbenzene 0.892 0.8850362 0.00696379 allyl bromide 1.398 1.410613 -0.01261317 allyl chloride 1.45154 1.45154 8.444356E-13 allyl cyanide 0.8341 0.8165283 0.01757167 allyl disulfide 1.008 1.030892 -0.02289237 allyl ether 0.805 0.8066511 -0.001651092 allyl ethyl ether 0.765 0.7685382 -0.003538225 allyl hexanoate 0.887 0.8697499 0.0172501 allyl iodide 1.837 1.831008 0.005991807 allyl isothiocyanate 1.024 1.002784 0.02121573 allyl methacrylate 0.938 0.9179574 0.02004264 N-allylmethylamine 0.741 0.7509794 -0.009979418 allyl sulfide 0.888 0.8886366 -0.0006365543 allyltrichlorosilane 1.211 1.191571 0.01942901 allyltrimethoxysilane 0.963 0.9491243 0.0138757 allyltrimethylsilane 0.719 0.7010438 0.01795616 alumina 4.03 4.000003 0.02999666 aluminium 1.7 1.641018 0.05898226 aluminum ammonium sulfate 2.45 2.422652 0.02734822 aluminum antimonide 4.26 4.26 4.556355E-13 aluminum bromide 3.205 3.264491 -0.05949112 aluminum chloride 2.36 2.36 -5.919709E-13 aluminum iodide 3.98 3.844927 0.1350734 aluminum oxide 3.97 3.999997 -0.02999666 aluminum phosphide 2.85 2.85 6.399326E-13 aluminum selenide 3.437 3.437 -1.160849E-12 aluminum sulfate 2.672 2.800253 -0.1282534 amidosulfuron 1.5 1.552558 -0.05255781 2'-aminoacetophenone 1.118 1.095043 0.02295726 a-Aminoadipic acid 1.333 1.407904 -0.07490371 3-aminobenzoic acid 1.51 1.450744 0.0592556 p-aminobenzoic acid (PABA) 1.374 1.433256 -0.0592556 3-amino-5-bromobenzotrifluor1.697 1.716311 -0.01931112 2-amino-1-butanol 0.943 0.8870135 0.05598652 4-amino-1-butanol 0.967 0.9454584 0.02154159 aminocyclopyrachlor 1.134 1.134 -2.418066E-13 aminoethyl ethanolamine 1.03 1.012303 0.01769665 aminoethylpiperazine 0.984 0.933183 0.05081707 aminoguanidine 1.72 1.723536 -0.003536168 a-Aminoisobutyric acid 1.09 1.012024 0.07797609 2-amino-2-methyl-1-propanol 0.934 0.8864893 0.04751066 aminooxyacetic acid 1.375 1.222197 0.1528035 o-aminophenol 1.326 1.133043 0.192957 p-aminophenol 1.13 1.17341 -0.04341027 2-aminopropanol 0.943 0.9008147 0.04218532 aminopropionitrile 0.952 0.9291689 0.02283112 N-Aminopropylmorpholine 0.987 0.9452875 0.0417125 amitraz 1.128 1.060632 0.06736834 ammonium acetate 1.07 1.116534 -0.04653371 ammonium benzoate 1.26 1.210109 0.04989125 ammonium bimalate 1.15 1.386948 -0.2369479 ammonium binoxalate 1.56 1.444346 0.1156543 ammonium bisulfate 1.787 1.787 1.65401E-12 ammonium bitartrate 1.68 1.772149 -0.09214909 ammonium carbonate 1.5 1.368519 0.1314811 ammonium citrate, dibasic 1.48 1.545829 -0.0658294 ammonium dithiocarbamate 1.451 1.379579 0.07142137 ammonium fluoride 1.015 1.015 2.566836E-13 ammonium formate 1.27 1.194841 0.07515898 ammonium hydrosulfide 1.17 1.225335 -0.05533516 ammonium laureth sulfate 1.03 1.001191 0.02880856 ammonium lauryl sulfate 1.03 1.084611 -0.05461058 ammonium nitrate 1.725 1.725 5.551115E-14 ammonium nonoxynol-4 sulfate1.065 0.9927053 0.07229473 ammonium oxalate 1.5 1.498341 0.001659402 ammonium sulfamate 1.8 1.698065 0.1019349 ammonium sulfate 1.77 1.806755 -0.03675462 ammonium xylenesulfonate 1.125 1.239695 -0.1146952 amyl acetate 0.876 0.8999619 -0.02396192 n-amylamine 0.766 0.7692237 -0.003223794 n-amyl butyrate 0.87 0.8521138 0.01788624 amyl chloride 0.8828 0.9083626 -0.02556261 amyl ether 0.77924 0.7478666 0.0313734 t-amyl methyl ether 0.7656 0.7771215 -0.01152144 amyl nitrite 0.872 0.9886352 -0.1166352 anabasine 1.0455 1.05305 -0.00755017 anemonin 1.45 1.343262 0.1067377 anethole 0.988 0.9975626 -0.009562596 anilazine 1.611 1.557065 0.05393497 aniline 1.0216 0.9898672 0.03173285 p-anisaldehyde 1.119 1.112318 0.00668173 anise alcohol 1.113 1.062912 0.05008854 p-anisic acid 1.385 1.230632 0.1543681 anisole 0.995 0.9899891 0.005010877 anthracene 1.25 1.168531 0.08146869 anthraquinone 1.43 1.314929 0.1150705 antimony 6.697 6.697 -5.702105E-13 antimony potassium tartrate 2.6 2.609073 -0.00907292 antimony trioxide 5.2 5.2 6.084022E-13 arecoline 1.0495 1.055059 -0.00555902 argon 1.784 1.784 -5.744294E-13 aristolochic acid 1.571 1.53777 0.03322984 arsenic 5.727 5.727 -8.197887E-13 arsenic acid 2.25 2.25 -1.518785E-13 arsenic trioxide 3.74 3.74 -1.413092E-12 ascaridole 1.01 1.000827 0.009173178 ascorbic acid [vitamin C] 1.65 1.632562 0.01743795 asparagusic acid 1.5 1.488742 0.01125799 aspirin 1.4 1.319837 0.08016334 atrazine 1.187 1.236354 -0.04935377 avobenzone 1.037 1.09904 -0.0620402 azamethiphos 1.6 1.540355 0.05964499 azelaic acid 1.225 1.117751 0.1072487 azepane 0.825 0.8411578 -0.01615781 azetidine 0.847 0.8614892 -0.01448921 aziridine 0.8321 0.8981014 -0.06600148 azocane 0.896 0.8397932 0.05620681 balinol 0.916 0.9072077 0.008792331 BANAMITE 1.44 1.470474 -0.03047362 batrachotoxin 1.304 1.325123 -0.02112311 behenyl alcohol 0.805 0.8250502 -0.0200502 benalaxyl 1.27 1.125842 0.1441576 bendiocarb 1.25 1.284925 -0.03492506 benfuracarb 1.142 1.142 -1.433853E-11 bensulide 1.224 1.231359 -0.007359022 benzaldehyde 1.044 1.057779 -0.01377905 benzalkonium chloride 0.98 0.9924188 -0.01241875 benzamide 1.341 1.356055 -0.01505527 benzene 0.874 0.9194591 -0.04545908 benzestrol 1.063 1.034857 0.02814315 benzidine 1.25 1.162171 0.08782939 benzocaine 1.17 1.099965 0.07003499 benzo[b]fluoranthene 1.286 1.291643 -0.005643071 benzo[j]fluoranthene 1.286 1.273322 0.01267776 benzo[k]fluoranthene 1.286 1.277017 0.008982841 benzoic acid 1.08 1.277295 -0.1972952 benzonitrile 1.01 1.038758 -0.02875805 benzo[ghi]perylene 1.378 1.299601 0.07839887 benzophenone 1.11 1.081787 0.0282127 1,4-benzoquinone 1.318 1.172992 0.1450075 benzotrichloride 1.3756 1.34093 0.03466982 benzotrifluoride 1.1886 1.250645 -0.06204461 benzoyl chloride 1.207 1.225864 -0.01886406 benzthiazole 1.246 1.277639 -0.03163899 benzyl acetate 1.04 1.065004 -0.02500441 benzyl alcohol 1.045 1.006442 0.03855787 benzylamine 0.983 0.9699661 0.01303396 benzyl benzoate 1.112 1.080594 0.03140579 benzyl bromide 1.438 1.422 0.01599966 benzyl 2-bromoethyl ether 1.36 1.323627 0.03637279 benzyl butyrate 1.009 1.022824 -0.01382376 benzyl chloride 1.1 1.091259 0.008741346 benzyl cyanide 1.0214 1.021448 -0.00004822395 benzyl ether 1.0428 1.051695 -0.008895276 benzyl ethyl ether 0.949 0.944214 0.00478604 benzyl formate 1.081 1.094863 -0.01386266 benzylideneacetone 1.0377 1.057632 -0.01993192 benzyl methyl ether 0.987 0.9766858 0.01031417 benzylpenicillin sodium 1.41 1.293385 0.1166147 benzyl salicylate 1.17 1.177657 -0.007657077 benzyl 2,2,2-trichloroacetim1.359 1.377184 -0.01818392 benzyltrichlorosilane 1.28 1.294881 -0.01488139 2-benzyl-4,4,6-trimethyl-1,30.997 0.9993934 -0.002393446 BHT 1.048 0.8642377 0.1837623 bifenthrin 1.212 1.255382 -0.04338153 bioallethrin 1.009 1.027174 -0.0181743 biphenyl 0.992 1.079324 -0.08732418 bismuth 9.78 9.78 -1.829648E-12 bisphenol A 1.2 1.206536 -0.006535941 bis(tributyltin) oxide 1.14 1.14 4.824807E-12 bithionol 1.73 1.594054 0.1359463 borazine 0.84 0.9528416 -0.1128416 boric acid 1.435 1.1677 0.2673004 d-borneol 1.011 0.9119973 0.09900273 boron arsenide 5.22 5.22 -2.966516E-13 boron phosphate 2.52 2.52 -1.018297E-12 boron phosphide 2.9 2.9 -1.171063E-12 boron sulfide 1.55 1.329952 0.2200484 boron trichloride 1.326 1.373102 -0.04710227 brassidic acid 0.8585 0.9053655 -0.04686546 bromacil 1.8 1.821094 -0.02109361 bromine 3.1023 3.006833 0.09546727 p-bromoacetanilide 1.72 1.677813 0.04218723 bromoacetone 1.634 1.545938 0.08806208 3-bromoaniline 1.58 1.560689 0.01931112 2-bromobenzaldehyde 1.585 1.560151 0.02484955 3-bromobenzaldehyde 1.587 1.560938 0.02606223 bromobenzene 1.491 1.513021 -0.02202095 4-bromobenzoic acid 1.894 1.800245 0.09375522 1-bromobutane 1.276 1.303461 -0.02746092 bromochloromethane 1.991 1.95944 0.03155955 bromodichloromethane 1.98 2.013369 -0.03336882 bromoethane 1.46 1.533153 -0.07315295 bromoform 2.89 2.947148 -0.0571475 1-bromohexane 1.176 1.200853 -0.02485278 bromoiodomethane 2.93 2.923166 0.006834377 bromomethane 1.732 1.767025 -0.03502498 2-bromophenol 1.4924 1.544804 -0.05240435 4-bromophenol 1.84 1.813798 0.02620217 1-bromopropane 1.354 1.394287 -0.04028699 2-bromopropane 1.31 1.396232 -0.08623163 bromopropylate 1.59 1.615129 -0.02512855 N-bromosuccinimide 2.098 2.098 7.314149E-13 bromothymol blue 1.25 1.223798 0.02620217 4-bromotoluene 1.399 1.437963 -0.03896342 bromotriflouromethane 1.538 1.538 -5.615508E-13 4-bromo-1,1,2-trifluorobuten1.639 1.649913 -0.01091309 1-bromo-2-(trifluoromethoxy)1.62 1.702424 -0.08242412 1,3-butadiene 0.65 0.7210276 -0.07102767 n-butane 0.58 0.6740257 -0.09402575 1,2-butanediol 1.0023 0.9248102 0.07748978 1,3-butanediol 1.005 0.9743323 0.03066771 1,4-butanediol 1.0171 1.019773 -0.002673266 2,3-butanediol 0.987 0.9239436 0.06305639 1-butanethiol 0.841 0.8932652 -0.05226524 1,2,4-butanetriol 1.19 1.083923 0.1060769 1-butanol 0.81 0.8607305 -0.05073044 2-butanol 0.808 0.8050013 0.002998767 2-butanone 0.805 0.8547779 -0.04977792 1-butene 0.5946 0.6634996 -0.06889956 trans-2-butene 0.599 0.716787 -0.1177871 buthidazole 1.306 1.2087 0.09729969 butocarboxim 1.12 1.123988 -0.003987634 butopyronoxyl 1.06 1.101908 -0.04190772 butoxytetraglycol 1 0.9678138 0.03218621 butoxytriglycol 0.989 0.9574027 0.03159733 butralin 1.06 1.262927 -0.2029273 n-butyl acetate 0.882 0.9091586 -0.02715854 sec-butyl acetate 0.865 0.9152675 -0.05026747 tert-butyl acetate 0.8593 0.9079177 -0.04861771 n-butylamine 0.74 0.7714971 -0.03149707 sec-butylamine 0.724 0.7688101 -0.04481014 butylate 0.94 0.9109311 0.02906897 butyl carbitol acetate 0.979 0.9427956 0.03620433 butyl iodide 1.617 1.596725 0.02027511 butyl nitrate 1.047 1.031192 0.01580776 butylphenyl methylpropional 0.946 0.9274641 0.01853589 butyl stearate 0.86 0.8597603 0.0002397584 1-butyne 0.6784 0.7274112 -0.04901119 2-butyne 0.691 0.7307706 -0.03977064 butyraldehyde 0.817 0.8415851 -0.02458513 n-butyric acid 0.964 0.9701999 -0.006199889 butyrin 1.032 1.021835 0.01016452 g-butyrolactone 1.12 1.063012 0.05698755 butyronitrile 0.794 0.8311776 -0.03717755 cadaverine 0.873 0.8544394 0.01856058 cadmium 8.65 8.65 6.394885E-14 cadmium selenide 5.816 5.816 -1.427303E-12 cadusafos 1.054 1.034351 0.01964903 caffeic acid 1.478 1.37371 0.1042902 caffeine 1.23 1.331251 -0.1012509 calcium 1.55 1.626931 -0.07693078 calcium chloride 2.15 2.168132 -0.01813173 calcium fluoride 3.18 3.164458 0.01554231 calcium hydroxide 2.211 2.211 -8.437695E-14 calcium hypochlorite 2.35 2.35 -7.993606E-13 calcium stearate 1.03 1.03 2.767964E-11 calcium sulfate 2.96 2.96 -5.471179E-13 camphor 0.992 0.9466471 0.04535286 canthoxal 1.043 1.14596 -0.1029599 capric acid 0.893 0.9295886 -0.03658855 caproic acid 0.929 0.9440245 -0.0150245 caprylic acid 0.91 0.9343969 -0.0243969 capryloamphocarboxypropionat1.04 1.103204 -0.06320369 capryloamphopropionate 1.1 1.075265 0.02473473 captan 1.74 1.698749 0.04125128 carbaryl 1.2 1.254893 -0.05489291 carbomycin 1.24 1.18661 0.05338956 carbon disulfide 1.266 1.405356 -0.1393562 carbonic acid 1.668 1.668 -7.336354E-13 carbon tetrachloride 1.588 1.533249 0.05475114 cardanol 0.93 0.9686931 -0.03869307 carfentrazone-ethyl 1.457 1.551112 -0.09411194 carveol 0.958 0.9381145 0.01988556 catechol 1.344 1.215739 0.1282606 CDAA 1.09 1.043187 0.04681281 CDEC 1.16 1.122606 0.03739354 cedryl acetate 0.996 0.9750848 0.0209152 cedryl methyl ether 0.976 0.8954519 0.08054809 ceteth-20 1.02 1.025066 -0.005065627 cetyl alcohol 0.815 0.8443128 -0.02931285 chavicol 1.0175 1.038373 -0.02087322 chlordane 1.61 1.651663 -0.04166292 chlordecone 1.64 1.713246 -0.0732465 chlorfluazuron 1.497 1.58631 -0.08931007 chlorflurenol 1.496 1.389175 0.1068254 chlorine 1.424 1.628958 -0.2049578 chlormephos 1.26 1.286192 -0.02619189 chloroacetic acid 1.58 1.282801 0.2971994 chloroacetone 1.162 1.116557 0.04544271 chloroacetonitrile 1.193 1.142679 0.05032074 4'-chloroacetophenone 1.922 1.222567 0.699433 2-chloroaniline 1.213 1.198587 0.01441314 3-chloroaniline 1.206 1.230814 -0.02481367 2-chlorobenzaldehyde 1.2483 1.242068 0.006231591 4-chlorobenzaldehyde 1.19 1.269502 -0.07950176 chlorobenzene 1.06 1.180737 -0.1207367 3-chlorobenzoic acid 1.496 1.528525 -0.03252444 4-chlorobenzoic acid 1.54 1.528387 0.01161277 1-chlorobutane 0.886 0.9195474 -0.03354738 chlorodifluoroacetic acid 1.54 1.516461 0.02353869 1-chloro-2,4-difluorobenzene1.353 1.359275 -0.006274681 1-chloro-2,5-difluorobenzene1.352 1.359377 -0.007377321 1-chloro-3,5-difluorobenzene1.329 1.390588 -0.06158769 chlorodifluoromethane 3.66 3.66 -6.958878E-13 2-chloro-1,3-dimethylbenzene1.061 1.044246 0.01675396 2-chloro-1,4-dimethylbenzene1.049 1.066188 -0.01718753 chlorodimethylsilane 0.852 0.9381556 -0.0861556 chloroethane 0.9028 0.9864637 -0.08366368 2-chloroethanol 1.201 1.109962 0.09103817 2-chloroethyl ether 0.989 1.115051 -0.1260506 chloroform 1.492 1.434145 0.05785513 1-chloroheptane 0.881 0.8950954 -0.01409545 1-chlorohexane 0.879 0.9004769 -0.02147688 6-chlorohexanol 1.024 1.040212 -0.01621148 chloromethane 0.92 1.078788 -0.1587875 4-chloro-2-methoxyphenol 1.304 1.270851 0.03314901 2-chloro-6-methylaniline 1.152 1.156833 -0.004833125 2-chloro-2-methylbutane 0.866 0.8913046 -0.02530464 3-chloro-3-methyl-1-butyne 0.913 0.9372133 -0.02421334 5-chloro-1-methylimidazole 1.25 1.179894 0.07010558 chloromethyl methyl sulfide 1.153 1.155538 -0.002537713 1-chloro-2-methylpropene 0.92 0.9762814 -0.05628136 3-chloro-2-methyl-1-propene 0.925 0.9701197 -0.04511967 1-chloro-1-methylsilacyclobu0.985 0.9779646 0.007035435 1-chloro-2-nitrobenzene 1.348 1.40158 -0.0535803 1-chloro-3-nitrobenzene 1.534 1.433063 0.100937 1-chloro-4-nitrobenzene 1.52 1.433056 0.0869437 4-chloro-N-methylaniline 1.169 1.170334 -0.001334256 1-chloropentane 0.882 0.9083585 -0.02635848 chlorophene 1.188 1.124745 0.0632554 2-chlorophenol 1.2634 1.25946 0.003939455 3-chlorophenol 1.245 1.259085 -0.01408545 4-chlorophenol 1.2238 1.258902 -0.03510162 chloropicrin 1.656 1.612851 0.04314873 1-chloropropane 0.892 0.9427281 -0.05072806 2-chloropropane 0.859 0.9417831 -0.08278309 chlorothalonil 1.8 1.603841 0.1961592 m-chlorotoluene 1.072 1.13644 -0.06443973 o-chlorotoluene 1.073 1.109111 -0.03611097 p-chlorotoluene 1.1 1.136348 -0.03634851 chloroxuron 1.27 1.254811 0.0151889 chlorpropham 1.18 1.236021 -0.05602088 chlozolinate 1.42 1.509467 -0.08946703 cholesterol 1.052 0.9682413 0.08375878 chromic acid 1.201 1.201 -6.530332E-13 chromium trioxide 2.7 2.7 -1.042277E-12 cinmethylin 1.015 0.9666787 0.04832123 trans-cinnamaldehyde 1.048 1.074604 -0.02660365 trans-cinnamic acid 1.248 1.162284 0.08571555 cinnamyl alcohol 1.044 1.031483 0.01251739 cinnamonitrile 1.0265 1.055194 -0.02869374 cinnamyl acetate 1.057 0.9685988 0.08840123 citral 0.893 0.8901423 0.002857729 citral dimethylacetal 0.89 0.906038 -0.01603806 citric acid 1.665 1.420462 0.2445378 citronellal 0.851 0.8359047 0.01509532 beta-citronellol 0.857 0.8511442 0.005855813 citronellyl acetate 0.889 0.8916795 -0.002679471 citronellyl formate 0.891 0.9105836 -0.01958356 citronellyl oxyacetaldehyde 0.975 0.8744127 0.1005874 clomazone 1.192 1.244997 -0.0529973 cobalt 8.9 8.9 -3.065992E-12 cobalt chloride 3.356 3.356 -4.765077E-13 cobaltous oxide 6.44 6.44 -1.06759E-12 cocamide 0.845 0.9068824 -0.06188238 cocamide DEA 0.99 0.9813628 0.008637237 cocamine oxide 0.934 0.9323442 0.001655821 coniferan 0.943 0.9453251 -0.002325067 copper 8.96 8.96 -2.270184E-12 copper sulfate 3.603 3.603 -1.143974E-12 coumaphos 1.474 1.403234 0.07076593 coumaran 1.058 1.09769 -0.03969016 coumarin 0.935 1.261014 -0.3260135 creatine 1.33 1.182006 0.1479946 creosol 1.092 1.095055 -0.0030545 m-cresol 1.034 1.079933 -0.04593292 o-cresol 1.048 1.042277 0.005722992 p-cresol 1.034 1.079934 -0.04593367 crotonaldehyde 0.853 0.9163419 -0.06334193 crotononitrile 0.824 0.8853534 -0.06135346 crotoxyphos 1.19 1.214442 -0.02444156 crown ether (18-crown-6) 1.175 1.092501 0.0824993 crown ether (dibenzo-18-crow1.4 1.231679 0.1683211 cucurbitacin E 1.249 1.281561 -0.03256078 cumene 0.864 0.8764196 -0.01241959 cumene hydroperoxide 1.02 1.043682 -0.02368147 cuminaldehyde 0.978 0.9845397 -0.006539701 curcumin 0.9348 0.9348 1.13658E-11 cyanic acid 1.14 1.078822 0.06117779 cyanobutane 0.797 0.8340653 -0.03706535 3-cyanopyridine 1.159 1.10393 0.05507047 cyanuric acid 2.5 2.5 -3.668177E-13 cyanuric chloride 1.32 1.530244 -0.2102439 cyanuric fluoride 1.574 1.513647 0.06035271 cycloate 1.0156 1.064925 -0.04932482 cyclobutanol 0.938 0.903577 0.03442298 cyclobutanone 0.921 0.9602916 -0.03929163 cyclodecane 0.871 0.7758718 0.09512815 cycloheptane 0.811 0.7748681 0.03613193 1,3-cyclohexadiene 0.841 0.8804875 -0.0394875 1,4-cyclohexadiene 0.847 0.889895 -0.04289497 cyclohexane 0.779 0.7735868 0.005413183 cyclohexanedimethanol 1.02 0.9791522 0.04084777 cyclohexanol 0.963 0.8804357 0.08256432 cyclohexanone 0.947 0.9253603 0.02163977 cyclohexene 0.811 0.8250998 -0.01409981 3-cyclohexene-1-carboxaldehy0.94 0.9914145 -0.05141457 cyclohexylamine 0.867 0.8501974 0.01680262 cyclohexyl chloride 1 0.9757827 0.02421732 cyclohex-1,2-ylenediamine 0.931 0.9138921 0.0171079 1-cyclohexylethanol 0.928 0.8871338 0.0408662 2-cyclohexylethanol 0.919 0.9208829 -0.001882865 cyclohexyl ethyl acetate 0.949 0.9619688 -0.01296878 cyclooctane 0.834 0.7778282 0.05617185 cyclooct-4-en-1-yl methyl ca1.06 1.072747 -0.01274658 cyclopentadec-4-en-1-one 0.94 0.9107023 0.02929774 cyclopentane 0.751 0.7637702 -0.0127702 cyclopentanol 0.949 0.8825063 0.06649367 cyclopentanone 0.951 0.934994 0.01600591 cyclopentyl methyl ether 0.86 0.8807899 -0.02078986 cyclopropanecarboxylic acid,0.9375 0.9713201 -0.03382007 cyfluthrin 1.34 1.389889 -0.04988863 p-cymene 0.857 0.8653144 -0.008314343 cymoxanil 1.32 1.271363 0.04863653 cyphenothrin 1.08 1.151394 -0.07139368 2,4-D 1.565 1.578026 -0.01302624 dabuzalgron 1.46 1.414598 0.04540183 damascol 0.963 0.9507082 0.01229184 beta-damascone 0.934 0.9336754 0.0003245811 delta-damascone 0.9305 0.9396405 -0.009140464 dazomet 1.3 1.115993 0.1840073 decalin 0.896 0.8761078 0.01989228 decamethylcyclopentasiloxane0.958 1.012272 -0.05427246 decanal 0.83 0.8430243 -0.01302435 n-decane 0.73 0.7441879 -0.01418788 1-decanol 0.825 0.8545979 -0.02959793 2-decanone 0.825 0.853874 -0.028874 3-decanone 0.825 0.8369644 -0.01196446 4-decanone 0.824 0.8192332 0.004766759 1-decene 0.741 0.7523603 -0.01136033 9-decen-1-ol 0.845 0.8654074 -0.02040737 deceth-4 0.96 0.9526976 0.007302376 deceth-6 0.98 0.9741225 0.005877499 decylamine 0.79 0.802664 -0.01266397 DEET 0.996 0.9701138 0.02588621 DEF 1.057 1.044896 0.0121044 defosfamide 1.3675 1.410291 -0.04279118 demeton-O-methyl 1.2 1.213127 -0.01312671 demeton-S-methyl 1.207 1.225349 -0.01834911 demeton-S-methylsulphon 1.416 1.348003 0.06799667 5-deoxystrigol 1.3 1.222744 0.07725554 desflurane 1.44 1.510009 -0.07000914 dexpanthenol 1.2 1.115045 0.08495485 diacetone alcohol 0.938 0.9307114 0.007288616 diallate 1.188 1.184475 0.003525031 diamyl sodium sulfosuccinate1.2 1.058897 0.141103 diazinon 1.117 1.136395 -0.01939473 diborane 1.216 1.216 2.453593E-13 1,3-dibromobenzene 1.955 1.936833 0.01816725 1,4-dibromobenzene 1.84 1.936232 -0.09623161 dibromochloropropane (DBCP) 2.05 1.964123 0.08587682 1,2-dibromoethane 2.18 2.041664 0.1383365 dibutylamine 0.767 0.745095 0.02190502 dibutyl ether 0.764 0.7504943 0.01350572 dibutyl phthalate 1.043 1.052324 -0.009324219 dibutyl sebacate 0.9405 0.9308995 0.009600547 dibutyltin dilaurate 1.066 1.066 1.974509E-11 dicalcium phosphate 2.929 2.929 0.000000005491812 dichloroacetic acid 1.57 1.429125 0.1408749 2,3-dichloroaniline 1.37 1.388989 -0.01898931 2,4-dichloroaniline 1.567 1.406073 0.1609267 2,6-dichloroaniline 1.28 1.374218 -0.09421855 2,4-dichlorobenzamide 1.71 1.694945 0.01505527 1,3-dichlorobenzene 1.288 1.405211 -0.1172111 1,4-dichlorobenzene 1.241 1.405176 -0.164176 dichlorodiflouromethane 1.486 1.56557 -0.07956959 1,3-Dichloro-5,5-dimethylhyd1.5 1.456191 0.04380881 1,2-dichloroethane 1.256 1.221873 0.03412747 1,2-dichloroethene (trans) 1.257 1.311695 -0.05469469 dichlorofluoromethane 1.366 1.437681 -0.07168049 1,2-dichloropropane 1.156 1.155281 0.0007188609 1,3-dichloropropane 1.19 1.154928 0.03507196 2,2-dichloropropane 1.082 1.12696 -0.04496043 1,3-dichloropropene 1.217 1.217 -5.810907E-13 1,2-dichlorotetraflouroethan1.455 1.625954 -0.1709541 2,3-dichlorotoluene 1.229 1.298752 -0.06975226 2,4-dichlorotoluene 1.246 1.306802 -0.0608015 2,6-dichlorotoluene 1.254 1.279746 -0.02574588 dichlorprop 1.42 1.418335 0.001664663 dichlorvos 1.42 1.389109 0.03089116 dicocamine 0.793 0.7474162 0.04558376 dicrotophos 1.21 1.195601 0.01439872 di-D-fructose dianhydride 1.75 1.607055 0.1429447 diethanolamine 1.097 1.092919 0.004081529 N,N-diethylacetamide 0.925 0.8710853 0.05391473 diethylaluminium cyanide 0.864 0.934418 -0.07041795 diethylamine 0.707 0.7602215 -0.05322147 diethylaminoethanol 0.884 0.9068076 -0.02280762 N,N-diethylaniline 0.938 0.8927164 0.04528359 1,2-diethylbenzene 0.88 0.9101069 -0.03010693 1,3-diethylbenzene 0.8602 0.8779969 -0.01779695 p-diethylbenzene 0.862 0.8652216 -0.003221594 diethyl carbonate 0.975 1.020334 -0.04533441 diethylene glycol 1.118 1.102037 0.01596338 diethylene glycol butyl ethe0.967 0.9417979 0.02520214 diethylene glycol ethyl ethe0.999 0.9908025 0.008197567 diethylene glycol hexyl ethe0.9346 0.9292908 0.005309174 diethylene glycol methyl eth1.01 1.026253 -0.01625252 diethylenetriamine 0.955 0.9150251 0.03997493 diethyl ether 0.7134 0.7969064 -0.08350634 diethyl fumarate 1.05 1.108228 -0.05822854 di-2-ethylhexyl sebacate 0.912 0.8533415 0.05865851 1,2-diethylhydrazine 0.797 0.8346304 -0.03763047 diethyl malonate 1.05 1.061408 -0.01140756 diethyl phthalate 1.12 1.140991 -0.02099138 diethyl sulfate 1.177 1.261377 -0.08437647 diethyl sulfide 0.837 0.8754454 -0.03844532 diethyltoluamide 0.998 0.9620379 0.03596218 difenoconazole 1.39 1.349404 0.04059636 1,3-difluorobenzene 1.163 1.177363 -0.01436276 2,6-difluorobenzyl alcohol 1.3 1.213725 0.08627479 1,2-difluoroethane 0.913 1.078685 -0.165685 2,6-difluorotoluene 1.13 1.131299 -0.001298966 diglyme 0.937 0.93298 0.004019962 dihydrolterpinyl acetate 0.935 0.9356791 -0.000679075 dihydromyrcenol 0.827 0.8039479 0.02305217 6,7-Dihydro-1,1,2,3,3-pentam0.96 0.938969 0.02103099 3,4-dihydroxyphenylacetaldeh1.306 1.265495 0.04050484 diiodomethane 3.325 3.332821 -0.007820522 diisobutyl adipate 0.9534 0.9357631 0.01763695 diisobutylaluminum hydride 0.798 0.7892035 0.008796427 diisobutyl ketone 0.808 0.7904777 0.01752234 diisobutyl sodium sulfosucci1.08 1.077991 0.002008727 diisopropylamine 0.722 0.7465413 -0.0245413 diisopropyl ether 0.725 0.7746565 -0.04965649 dimethoate 1.281 1.270158 0.01084171 1,2-dimethoxybenzene 1.084 1.065814 0.01818618 1,2-dimethoxyethane 0.8683 0.9090323 -0.04073225 1,1-dimethoxyoctane 0.848 0.8725511 -0.02455111 N,N-dimethylacetamide 0.937 0.9213061 0.01569388 dimethylamine 0.775 0.780354 -0.005354065 N,N-dimethylaniline 0.956 0.9335698 0.02243017 N,N-dimethylbenzylamine 0.9 0.921168 -0.02116803 3,3-dimethyl-1-butanol 0.844 0.8411493 0.002850682 dimethyl carbonate 1.071 1.117022 -0.04602192 2,4-dimethyl-3-cyclohexen-1-0.9365 0.9370558 -0.0005557933 3,6 (and 4,6)-dimethylcycloh0.93 0.9388908 -0.008890807 2,4-dimethylcyclohex-3-ene-10.9365 0.9351478 0.001352177 2,4-dimethylcyclohex-3-ene-10.9645 0.9767554 -0.01225535 3,5-dimethylcyclohex-3-ene-10.9645 0.9647353 -0.0002352889 beta,4-dimethylcyclohex-3-en0.933 0.9201016 0.01289838 1-(5,5-dimethyl-1-cyclohexen0.9255 0.9063268 0.0191732 1-(3,3-dimethylcyclohexyl)et0.899 0.8929474 0.006052585 4,8-dimethyl-4,9-decadienal 0.866 0.8538138 0.01218615 5,9-dimethyl-4,8-decadienal 0.872 0.8765152 -0.00451525 dimethyl disulfide 1.06 1.131449 -0.07144929 N,N-dimethylethylamine 0.675 0.7567791 -0.08177908 N,N-dimethyl formamide 0.944 0.9580651 -0.01406507 dimethyl fumarate 1.37 1.177107 0.1928928 2,5-dimethylfuran 0.8897 0.9668987 -0.07719871 dimethyl hexanediol 0.898 0.872129 0.02587097 dimethyl hexynediol 0.949 0.9128081 0.03619188 dimethyl maleate 1.15 1.17743 -0.02743034 dimethyl malonate 1.154 1.131776 0.02222382 3,7-dimethyl-2-methylene-6-o0.87 0.8757746 -0.005774645 4-(4,8-dimethyl-3,7-nonadien0.923 0.9446242 -0.0216242 2,6-dimethyl-6-octanol 0.8345 0.7948307 0.03966929 3,7-dimethyl-1-octanol 0.8285 0.8288421 -0.0003421096 2,6-dimethyl-7-octen-2-ol 0.806 0.8040783 0.001921718 dimethyl oleamine 0.81 0.8088831 0.001116916 2,2-dimethylpentane 0.674 0.6877815 -0.01378143 2,3-dimethylpentane 0.69 0.6873689 0.002631149 2,4-dimethylpentane 0.67 0.6875234 -0.01752338 N,N-dimethylpentylamine 0.7655 0.7569544 0.008545635 2,4-dimethylphenol 0.965 1.010881 -0.04588074 2,5-dimethylphenol 0.971 1.010605 -0.03960531 2,6-dimethylphenol 1.01 0.9775339 0.03246611 3,4-dimethylphenol 0.983 1.056236 -0.0732361 3,5-dimethylphenol 0.968 1.043751 -0.07575092 dimethyl phthalate 1.19 1.190024 -0.00002412352 1-(1,1-dimethylpropyl)-4-eth0.872 0.8887437 -0.01674371 dimethyl sulfoxide 1.101 1.082964 0.0180362 dimethyl terephthalate 1.2 1.151888 0.04811177 N,N-dimethyltoluamine 0.9 0.9248191 -0.02481916 dimethyl trisulfide 1.1978 1.281397 -0.08359663 6,10-dimethylundecen-2-one 0.852 0.8597205 -0.007720451 diniconazole-M 1.32 1.25072 0.06928018 dinitramine 1.5 1.517953 -0.01795293 2,4-dinitrofluorobenzene 1.482 1.541868 -0.05986797 dinitrogen pentoxide 1.642 1.770546 -0.1285459 dinitrogen tetroxide 1.443 1.702533 -0.2595334 dinitrogen trioxide 1.4 1.623353 -0.2233533 dinocap 1.1 1.346756 -0.2467555 dinoseb 1.2647 1.395114 -0.130414 dioctyl adipate 0.922 0.8511999 0.0708001 dioctyl phthalate 0.985 0.9532892 0.03171086 dioctyl sodium sulfosuccinat1.1 1.086098 0.01390226 1,4-dioxacyclohexadecane-5,11.059 1.081343 -0.02234264 1,4-dioxane 1.034 0.9999899 0.03401012 1,3-dioxolane 1.06 1.050095 0.009904704 diphacinone 1.281 1.344364 -0.06336392 diphenylamine 1.16 1.034139 0.1258606 Diphenylmethane 1.006 1.047009 -0.04100874 diphenylsilanediol 1.255 1.11353 0.1414702 dipotassium phosphate 2.44 2.439925 0.00007542634 di-n-propylamine 0.719 0.7492936 -0.03029357 dipropylene glycol 1.0252 0.9458832 0.07931688 dipropylene glycol methyl et0.938 0.9242836 0.0137164 dipropyl ether 0.736 0.7569481 -0.02094808 dipropyl phthalate 1.078 1.082639 -0.004639357 dipropyl pyridine-2,5-dicarb1.082 1.101536 -0.01953569 diquat 1.24 1.477374 -0.2373742 disilane 0.686 0.8704522 -0.1844522 disodium deceth-6 sulfosucci1.08 1.144505 -0.06450479 disodium isodecyl sulfosucci1.19 1.090472 0.09952759 disodium nonoxynol-10 sulfos1.1 1.117678 -0.01767825 disodiumoleamidoPEG-2 sulfos1.05 1.084346 -0.03434595 disodium pyrophosphate 1.2 1.2 -5.106582E-12 disodium stearyl sulfosuccin1.07 1.045349 0.02465061 disulfoton 1.14 1.196313 -0.05631282 ditridecyl sodium sulfosucci0.995 0.9885353 0.00646471 diuron 1.48 1.41016 0.06984013 m-divynylbenzene 0.914 0.9166841 -0.002684099 docosahexaenoic acid 0.943 1.008327 -0.06532726 dodecane 0.749 0.7576796 -0.008679588 dodecanenitrile 0.824 0.8542244 -0.03022445 dypnone 1.108 1.117437 -0.009436686 edifenphos 1.23 1.206968 0.02303177 eicosane 0.7886 0.7801582 0.008441846 enbucrilate 1.443 1.443 1.079581E-12 endothall 1.431 1.339433 0.09156673 epichlorohydrin 1.1812 1.190368 -0.009168272 EPN 1.268 1.266722 0.001278163 8,9-epoxycedrane 1 0.9937584 0.006241628 EPTC 0.96 0.9362405 0.0237595 erythritol 1.45 1.357457 0.0925426 estragole 0.946 0.9528827 -0.006882702 estriol 1.27 1.262982 0.007017805 estrone 1.236 1.173019 0.06298071 ethane 0.572 0.631846 -0.05984598 ethanethiol 0.839 0.9402899 -0.1012899 ethanol 0.789 0.8255236 -0.03652363 ethanolamine 1.012 0.9230946 0.08890536 ethiofencarb 1.231 1.180878 0.05012212 2-ethoxyethyl acetate 0.975 0.9711995 0.003800525 ethyl acetate 0.902 0.9572636 -0.05526358 ethyl acetoacetate 1.021 1.03251 -0.01151014 ethyl acrylate 0.9405 0.9265056 0.01399438 4-ethyl-alpha,alpha-dimethyl0.943 0.9399472 0.00305282 ethylamine 0.689 0.7714315 -0.0824315 ethylbenzene 0.867 0.898506 -0.03150604 ethyl benzoate 1.051 1.045267 0.005733225 alpha-ethylbenzyl alcohol 0.9915 0.9915 -8.013035E-12 2-ethyl-1-butanol 0.83 0.8046149 0.02538511 ethyl butyrate 0.879 0.8999602 -0.02096016 ethyl cinnamate 1.049 1.098094 -0.04909412 ethylcyclohexane 0.788 0.7957491 -0.007749053 ethylcyclopentane 0.763 0.7914044 -0.02840438 ethyl decanoate 0.862 0.8848686 -0.02286864 ethyl 2,4-dimethyl-1,3-dioxo1.043 1.053328 -0.01032765 2-ethyl-4,5-dimethyl-1,3-thi0.996 1.000955 -0.004955386 ethylene carbonate 1.321 1.206229 0.114771 ethylenediamine 0.899 0.873012 0.025988 ethylene glycol 1.115 0.9752856 0.1397143 ethylene glycol dinitrate 1.49 1.54621 -0.05621018 ethylene glycol ethyl ether 0.93 0.9668893 -0.03688926 ethylene glycol methyl ether0.965 1.005579 -0.04057911 ethylene oxide 0.882 0.9772511 -0.09525103 ethyl 2,3-epoxy-3-phenylprop1.125 1.187063 -0.06206317 ethyl ether 0.7134 0.7920152 -0.07861517 ethyl formate 0.917 0.990375 -0.07337502 ethyl heptanoate 0.868 0.8912435 -0.02324355 ethyl hexanoate 0.873 0.8886694 -0.01566942 2-ethylhexanoic acid 0.903 0.920927 -0.01792705 2-ethyl-1-hexanol 0.833 0.8002051 0.03279494 ethyl hydrocinnamate 1.013 1.038018 -0.02501774 ethyl isobutyrate 0.869 0.9171842 -0.04818415 ethyl isovalerate 0.868 0.8799199 -0.01191999 ethyl lactate 1.042 1.028752 0.01324769 ethyl laurate 0.867 0.8851132 -0.01811326 ethyl levulinate 1.012 1.016728 -0.004728465 ethyl 2-methylbutyrate 0.869 0.8948089 -0.02580884 ethyl 2-methyl-1,3-dioxolane1.085 1.079452 0.005548197 ethyl methylphenylglycidate 1.095 1.158752 -0.06375226 ethyl myristate 0.862 0.8904333 -0.0284333 ethyl nonanoate 0.866 0.8905929 -0.02459296 ethyl octanoate 0.878 0.8906943 -0.01269428 ethyl palmitate 0.857 0.8891006 -0.03210053 2-(1-ethylpentyl)-1,3-dioxol0.9135 0.9052948 0.008205198 2-ethylphenol 1.037 1.025335 0.0116653 3-ethylphenol 1.0283 1.058813 -0.03051313 4-ethylphenol 1.011 1.058916 -0.04791567 ethyl phenylacetate 1.031 1.04679 -0.01578956 3-(o-ethylphenyl)-2,2-dimeth0.9545 0.9724079 -0.01790793 3-(p-ethylphenyl)-2,2-dimeth0.9545 0.9425434 0.01195658 ethylphenyl ether 0.966 0.9637651 0.002234922 ethyl phenyl ketone 1.009 0.994234 0.01476591 ethyl propionate 0.891 0.9321788 -0.04117882 ethyl salicylate 1.131 1.160762 -0.02976201 ethyl tert-butyl ether 0.7364 0.7811193 -0.04471935 ethyl valerate 0.875 0.8925706 -0.01757062 ethynylbenzene 0.93 0.9557976 -0.02579757 etoglucid 1.1312 1.056694 0.07450607 etridiazole 1.5 1.453385 0.04661532 etrimfos 1.195 1.268445 -0.07344525 eucalyptol 0.922 0.91326 0.008739981 eugenol 1.066 1.057494 0.008506108 (E,E)-alpha-farnesene 0.841 0.8265066 0.01449343 beta-farnesene 0.831 0.8280612 0.002938722 febuprol 1.027 0.9787115 0.0482884 d-fenchone 0.948 0.9384321 0.009567919 fenpropidin 0.91 0.8637922 0.0462078 fenpropimorph 0.931 0.9095203 0.02147969 fenpyroximate 1.249 1.259457 -0.01045681 ferrous oxide 5.745 5.745 3.090861E-13 flufenoxuron 1.57 1.512761 0.05723877 fluorene 1.202 1.159234 0.04276593 fluoren-9-ol 1.151 1.230436 -0.07943557 9-fluorenone 1.13 1.294573 -0.1645731 fluorobenzene 1.024 1.056922 -0.03292244 2-fluorobenzoic acid 1.46 1.432142 0.02785801 2-fluorobiphenyl 1.2452 1.159928 0.08527242 4-fluorobiphenyl 1.288 1.160839 0.1271611 fluoroethane 0.818 0.8788481 -0.06084813 1-fluorohexane 0.8 0.819953 -0.01995299 5-fluoro-1-indanone 1.216 1.218318 -0.00231764 fluoromethane 0.8428 0.9498581 -0.1070581 p-fluorotoluene 1 1.024332 -0.02433226 fluquinconazole 1.58 1.61395 -0.03394947 flurenol-butyl 1.15 1.375417 -0.2254169 fluroxene 1.14 1.12323 0.01677024 flutriafol 1.41 1.364435 0.04556533 formaldehyde 1.067 0.9530286 0.1139714 formamide 1.134 1.073569 0.06043076 formic acid 1.22 1.139553 0.08044669 D-fructose 1.59 1.383721 0.2062796 fumaric acid 1.635 1.313081 0.3219193 furan 0.936 1.012404 -0.07640392 2(5H)-furanone 1.185 1.151254 0.03374602 furan-2-ylmethanethiol 1.132 1.158121 -0.02612144 furfural 1.16 1.145163 0.01483728 furfuryl alcohol 1.128 1.096379 0.03162102 furfurylamine 1.099 1.051258 0.04774215 2-furonitrile 1.065 1.13498 -0.06997975 gadofosveset trisodium 1.224 1.254983 -0.03098292 gallium maltolate 1.56 1.531083 0.02891658 Galoxolide 1.017 0.9675807 0.0494193 geraniol 0.889 0.851224 0.03777601 geranyl acetate 0.916 0.9203381 -0.004338063 germacrene A 0.793 0.8843843 -0.09138435 alpha-D-glucose 1.54 1.534331 0.005668501 beta-D-glucose 1.54 1.534203 0.005796889 glutamic acid 1.4601 1.449568 0.01053178 glutaraldehyde 1.06 0.9803358 0.07966413 glycerol 1.261 1.049937 0.2110633 glyceryl hydroxystearate 1.007 1.023787 -0.01678708 glyceryl laurate 0.97 0.9944574 -0.02445732 glyceryl oleate 0.95 0.9755266 -0.02552661 glycidol 1.1143 1.069931 0.04436945 glycine 1.607 1.607 1.678657E-13 glycoaldehyde 1.065 1.05219 0.01280997 glyoxylic acid 1.342 1.169952 0.1720476 glyphosate 0.5 0.5 -3.510525E-13 grapefruit mercaptan 1.03 1.052501 -0.02250101 graphite 2.16 2.160035 -0.00003466045 Grisalva 0.966 0.9088311 0.0571689 guaiacol 1.1287 1.12431 0.00438968 guaiol 0.91 0.9215366 -0.01153655 hafnium(IV) carbide 12.2 12.2 -3.874234E-12 hafnium(IV) oxide 9.68 9.68 -1.190159E-13 halothane 1.868 1.97834 -0.1103399 harzianopyridone 1.21 1.188967 0.02103323 hentriacontane 0.781 0.8194304 -0.03843038 1,1,1,2,3,3,3-heptafluoropro1.46 1.578202 -0.1182014 n-heptane 0.684 0.7149059 -0.03090589 1-heptanol 0.822 0.8541017 -0.03210163 2-heptanol 0.817 0.810621 0.006379022 3-heptanol 0.818 0.8082532 0.009746826 2-heptanone 0.82 0.8491939 -0.02919385 heptopargil 0.9867 0.9772941 0.009405822 2-heptylcyclopentanone 0.884 0.9092892 -0.02528919 1-heptyne 0.733 0.7624275 -0.02942754 2-heptyne 0.745 0.7659856 -0.0209856 3-heptyne 0.741 0.7637348 -0.02273482 hexachloroacetone 1.743 1.664411 0.07858885 hexachlorobenzene 2.04 1.949698 0.09030176 hexadecane 0.773 0.7734597 -0.0004596866 1,1,1,3,3,3-hexafluoro-2-pro1.596 1.544228 0.05177229 3a,4,5,6,7,7a-hexahydro-4,7-1.034 1.03056 0.003440111 3a,4,5,6,7,7a-hexahydro-4,7-1.029 1.062458 -0.03345808 3a,4,5,6,7,7a-hexahydro-4,7-1.029 1.062376 -0.03337625 3a,4,5,6,7,7a-hexahydro-4,7-1.0735 1.123117 -0.04961713 3a,4,5,6,7,7a-hexahydro-2,6(1.039 1.01335 0.0256505 1,3,4,6,7,8a-hexahydro-1,1,51.002 0.9556715 0.04632847 hexamethylphosphoramide 1.03 1.117923 -0.08792277 hexanal 0.833 0.8366576 -0.003657559 n-hexane 0.659 0.7023464 -0.04334643 1-hexanol 0.814 0.854539 -0.04053906 2-hexanol 0.81 0.8066893 0.003310749 3-hexanol 0.819 0.8043214 0.01467858 2-hexanone 0.812 0.8482003 -0.03620037 cis-3-hexenal 0.851 0.8728493 -0.02184931 cis-hex-3-en-1-ol 0.846 0.8892199 -0.04321993 cis-3-hexen-1-yl methyl carb0.971 1.01126 -0.0402598 3-hexenyl salicylate 1.061 1.072698 -0.01169803 hexyl acetate 0.876 0.8966134 -0.02061341 n-hexylamine 0.766 0.7815724 -0.01557244 hexylene glycol 1.02 0.8882296 0.1317704 hexyl formate 0.875 0.9176068 -0.04260677 1-hexyne 0.718 0.7472191 -0.02921917 3-hexyne 0.723 0.7513614 -0.0283614 hydrazine 1.021 1.065612 -0.04461163 hydrocinnamonitrile 1.001 1.012988 -0.01198836 hydrofluoric acid 1.15 1.236299 -0.08629886 hydrogen 0.08988 0.08988 -3.483047E-13 hydrogen cyanide 0.699 0.8684842 -0.1694842 hydrogen iodide 2.85 2.91057 -0.06057045 hydrogen peroxide 1.45 1.239786 0.2102146 hydrogen selenide 3.553 3.553 -7.798207E-13 hydrogen sulfide 1.363 1.215739 0.1472605 hydroquinone 1.3 1.301222 -0.001221633 hydrotropic aldehyde dimethy0.993 1.002958 -0.009958083 2-hydroxybiphenyl 1.213 1.183931 0.02906887 1-Hydroxydecan-3-one 0.9005 0.9257346 -0.02523462 hydroxydihydrocitronellol 0.93 0.9049482 0.02505177 3-hydroxyglutamic acid 1.585 1.532886 0.05211429 3-(Hydroxymethyl)nonan-2-one0.9005 0.9155123 -0.01501225 3-(4-Hydroxy-4-methylpentyl)0.989 0.998645 -0.009644972 3-hydroxyphenylglycine 1.4 1.452336 -0.05233598 hypophosphrous acid 1.493 1.557652 -0.06465194 icosane 0.7886 0.7789561 0.009643955 imazalil 1.2429 1.361532 -0.1186319 imidazole 1.23 1.124842 0.1051577 4-Imidazoleacetic acid 1.23 1.240066 -0.01006592 iminodiacetic acid 1.436 1.255813 0.1801871 indane 0.965 0.9854098 -0.0204098 indene 0.997 1.034108 -0.03710847 indium 7.31 7.31 -5.595524E-13 indole 1.1747 1.140638 0.03406151 indoline 1.063 1.061198 0.001801525 inositol 1.752 1.757867 -0.005866708 iodic acid 4.62 4.62 -9.521273E-13 iodine 4.933 4.933 -6.448175E-13 iodine trichloride 3.11 3.026085 0.08391447 iodobenzene 1.823 1.897944 -0.07494454 2-iodobenzoic acid 2.25 2.113115 0.1368853 4-iodobenzoic acid 2.18 2.113913 0.06608717 iodoethane 1.94 1.977018 -0.0370179 iodoform 4.008 4.107675 -0.09967528 1-iodohexane 1.437 1.378183 0.05881701 iodomethane 2.28 2.307134 -0.02713388 1-iodopropane 1.744 1.756673 -0.01267285 2-iodopropane 1.701 1.755678 -0.05467775 alpha-ionone 0.93 0.9371006 -0.00710059 beta-ionone 0.945 0.931888 0.013112 iprobenfos 1.103 1.089344 0.01365605 iron 7.874 7.874 2.731149E-12 isatoic anhydride 1.52 1.38897 0.1310301 isethionic acid 1.63 1.44575 0.1842495 isoambrettolide 0.953 0.9772786 -0.0242786 isoamyl acetate 0.876 0.8887071 -0.01270712 isoamyl benzoate 0.993 0.9746828 0.01831717 isoamyl formate 0.859 0.9053528 -0.04635274 isoascorbic acid 1.65 1.667438 -0.01743795 isobornyl cyclohexanol 0.97 0.964975 0.005025009 isobutane 2.064 2.064 5.453415E-13 isobutavan 1.12 1.186706 -0.06670584 isobutyl acetate 0.876 0.8978953 -0.02189529 isobutylamine 0.736 0.7635811 -0.0275811 isobutyl formate 0.885 0.9296445 -0.04464453 isobutyl isobutyrate 0.855 0.8703908 -0.01539082 isobutyl nitrite 0.87 1.006521 -0.1365208 isobutyl propionate 0.869 0.8887801 -0.01978007 isobutyl quinoline 1.011 1.051038 -0.0400376 isobutyraldehyde 0.7938 0.8534748 -0.05967481 isobutyric acid 0.95 0.9766529 -0.02665288 isobutyronitrile 0.7731 0.832792 -0.05969205 2-isocyanato-1-methoxy-4-met1.112 1.181446 -0.06944591 isocyclemone E 0.964 0.9113215 0.05267852 isocyclocitral 0.919 0.9109837 0.008016272 isocyclogeraniol 0.9333 0.878124 0.05517603 isodurene 0.8906 0.8618753 0.0287247 isoeugenol 1.08 1.100038 -0.02003835 isooctane 0.692 0.6872736 0.004726321 isophorone 0.923 0.9032613 0.0197387 isophorone diamine 0.92 0.86502 0.05498002 isophorone diisocyanate 1.062 1.108567 -0.04656706 isophthalic acid 1.526 1.576258 -0.05025826 isophytol 0.841 0.8470452 -0.006045143 isoprene 0.681 0.7088817 -0.02788168 isopropanol 0.786 0.8109281 -0.02492811 isopropryl acetate 0.87 0.9334942 -0.06349421 isopropylamine 0.722 0.7680374 -0.04603738 cis-4-(isopropyl)cyclohexane0.914 0.8772883 0.03671166 isopropyl ether 0.72813 0.7748563 -0.04672626 isopropyl nitrite 0.844 1.055271 -0.2112707 isoquinoline 1.099 1.131177 -0.03217739 isosafrole 1.1224 1.167445 -0.04504459 isovaleraldehyde 0.785 0.8239749 -0.03897487 isovaleric acid 0.931 0.9471641 -0.01616407 isoxazole 1.078 1.167532 -0.08953163 ketene 1.93 1.93 -5.260237E-13 krypton 3.749 3.749 -1.37268E-12 lactic acid 1.21 1.109542 0.1004582 lactose 1.525 1.567718 -0.04271846 lauramide MEA 1.01 0.9543788 0.05562114 lauramide MIPA 0.915 0.9207076 -0.005707646 lauramidopropyl betaine 1.045 0.9161522 0.1288477 lauramine 0.81 0.8078561 0.002143942 lauramine oxide 0.94 0.93308 0.006919953 laureth-23 1.05 1.037778 0.01222181 laureth-3 0.922 0.9327174 -0.01071746 laureth-4 0.944 0.9479291 -0.003929134 laureth-7 0.984 0.9791839 0.0048161 lauroyl sarcosine 0.98 0.98 -3.637757E-12 laurtrimonium chloride 0.98 0.9613336 0.01866636 lauryl alcohol 0.83 0.851761 -0.02176108 lead 11.34 11.34 -1.104894E-12 lead acetate 3.25 3.25 3.197442E-14 lead carbonate 6.582 6.582 -2.099654E-12 lead (II) chloride 5.85 5.85 -1.448619E-12 lead (II) chromate 6.12 6.116144 0.003856081 lead (II) fluoride 8.445 8.445 5.719869E-13 lead dioxide 9.38 9.38 3.055334E-13 lead (II) nitrate 4.53 4.53 -2.327027E-13 lead (II) sulfate 6.29 6.294086 -0.004086681 lead (II) sulfide 7.6 7.67762 -0.07762019 lead telluride 8.164 8.086379 0.07762019 lead tetroxide 8.3 8.3 -4.050094E-13 levulinic acid 1.134 1.104755 0.029245 DL-limonene 0.8411 0.8559696 -0.01486963 D-limonene 0.8411 0.8557924 -0.01469242 linalool 0.862 0.8297422 0.03225781 linalyl acetate 0.895 0.9068906 -0.01189063 linoleamide DEA 0.97 0.9440393 0.02596067 linoleic acid 0.902 0.9459398 -0.04393983 lithium 0.534 0.5368242 -0.002824176 lithium aluminate 2.615 2.642348 -0.02734822 lithium aluminum hydride 0.917 0.917 5.450085E-13 lithium amide 1.178 1.178 -1.396661E-13 lithium borate 2.4 2.4 -6.51923E-13 lithium borohydride 0.666 0.666 -1.653122E-13 lithium carbide 1.3 0.9952159 0.3047841 lithium fluoride 2.635 2.695033 -0.06003322 lithium hexafluorophosphate 1.5 1.5 -6.86784E-13 lithium hydride 0.78 0.78 -3.569367E-13 lithium hydroxide 1.46 1.46 -6.22169E-13 lithium imide 1.48 1.452203 0.02779678 lithium iodide 4.076 4.076 -4.138911E-13 lithium nitride 1.27 1.27 2.815526E-13 lithium peroxide 2.31 2.264897 0.04510281 lithium sulfide 1.66 1.66 -3.936851E-13 lithium tantalate 7.46 7.46 -5.737633E-13 lithium tetrafluoroborate 0.852 0.852 -8.009149E-13 lithium triborate 2.747 2.747 -7.802647E-13 lithium triethylborohydride 0.89 0.89 2.757017E-12 LYRAL® 0.989 0.9988508 -0.009850739 Lyral, methyl anthranilate S1 1.119701 -0.1197012 magnesium carbonate 2.958 2.958 -2.748912E-13 magnesium chloride 2.32 2.29757 0.02243024 magnesium fluoride 3.148 3.133526 0.0144743 magnesium iodide 4.43 4.440499 -0.01049879 magnesium nitrate 2.3 2.252067 0.04793272 magnesium oxide 3.58 3.58 -3.672618E-13 magnesium stearate 1.026 1.133936 -0.1079364 magnesium sulfate 1.67 1.636402 0.0335979 malathion 1.23 1.289213 -0.05921261 maleic acid 1.59 1.313165 0.2768351 maleic anhydride 1.48 1.300501 0.1794986 L-malic acid 1.609 1.320184 0.2888156 malonic acid 1.619 1.290659 0.328341 maltol 1.348 1.203346 0.1446544 maltose 1.54 1.568294 -0.02829395 mandelic acid 1.3 1.3 -6.398881E-12 maneb 1.92 1.92 3.741452E-13 manganese 7.21 7.21 3.943512E-13 mannitol hexanitrate 1.604 1.604724 -0.0007236783 Massoia lactone 0.982 1.030383 -0.04838314 MCPA 1.56 1.369732 0.1902678 melamine 1.574 1.323726 0.2502738 menthol 0.89 0.8457705 0.04422951 l-menthone 0.893 0.8778046 0.0151954 menthyl acetate 0.919 0.9348174 -0.01581733 menthyl salicylate 1.045 1.023471 0.02152846 menthyl valerate 0.907 0.9003959 0.006604146 mercurous chloride 7.15 7.158236 -0.008235751 mercury 13.534 13.534 -1.172396E-12 meroxapol 105 1.06 0.9996733 0.06032662 meroxapol 171 1.02 1.00464 0.01535989 meroxapol 172 1.03 1.010563 0.01943649 meroxapol 174 1.048 1.018548 0.02945184 meroxapol 251 1.017 1.031532 -0.0145318 meroxapol 252 1.039 1.038137 0.0008634864 meroxapol 254 1.046 1.04485 0.001149654 meroxapol 255 1.036 1.044421 -0.008420679 meroxapol 311 1.018 1.044941 -0.02694119 meroxapol 312 1.03 1.050957 -0.0209573 meroxapol 314 1.028 1.057976 -0.02997626 mesitylene 0.864 0.8642943 -0.0002942914 methacrylic acid 1.015 1.024698 -0.00969756 methane 0.415 0.5849552 -0.1699552 methanediol 1.199 1.061685 0.1373153 methanesulfonic acid 1.481 1.387614 0.09338593 methanethiol 0.9 1.005154 -0.1051536 methanol 0.791 0.8597841 -0.06878414 methenamine 1.33 1.112726 0.2172743 L-methionine 1.34 1.408745 -0.0687445 2-methoxyaniline 1.0923 1.048229 0.04407112 3-methoxyaniline 1.096 1.048708 0.04729205 4-methoxyaniline 1.071 1.048534 0.0224659 1-methoxyhexane 0.7705 0.8002728 -0.02977277 4-(1-Methoxy-1-methylethyl)-0.9 0.8864989 0.01350108 2-(methoxymethyl)-5-nitrofur1.283 1.315748 -0.03274804 2-methoxy-5-methylphenyl iso1.146 1.213279 -0.06727922 1-methoxy-2-methyl-2-propano0.892 0.8973112 -0.005311165 methoxymethyltrimethylsilane0.758 0.8142838 -0.05628376 1-methoxynaphthalene 1.09 1.133286 -0.04328591 1-methoxy-4-nitrobenzene 1.254 1.254046 -0.00004606141 4-methoxyphenethanol 1.075 1.082177 -0.0071768 o-methoxyphenol 1.129 1.110361 0.01863867 methyl acetate 0.932 0.9931452 -0.06114525 methylal 0.86 0.9457188 -0.08571877 methylamine 0.693 0.7863626 -0.09336258 2-methylaniline 0.97759 0.971105 0.006484958 3-methylaniline 0.989 0.9715993 0.01740076 4-methylaniline 1.046 0.9716069 0.07439312 N-methylaniline 0.989 0.9557827 0.03321739 methyl anthranilate 1.166 1.13524 0.03076014 2-methylbenzeneethanol 1.013 1.010759 0.002240964 gamma-methylbenzenepentanol 0.96 0.9731573 -0.01315731 methyl benzoate 1.0837 1.077567 0.006133462 alpha-methyl-1,3-benzodioxol1.163 1.196823 -0.03382279 2-methylbutane 0.62 0.6791856 -0.05918555 2-methyl-1-butanol 0.815 0.8039858 0.01101416 2-methyl-2-butanol 0.805 0.7935958 0.01140421 3-methyl-1-butanol 0.809 0.8484191 -0.03941903 5-methyl-3-butyltetrahydropy0.974 0.9946128 -0.02061285 methyl butyrate 0.898 0.9274404 -0.02944038 2-methylbutyric acid 0.933 0.94682 -0.01381999 methyl caprate 0.873 0.8969273 -0.02392729 methyl caproate 0.885 0.908194 -0.02319401 methylchloroisothiazolinone 1.02 1.341061 -0.3210612 methylcyclohexane 0.77 0.7763439 -0.006343947 4-methylcyclohexanemethanol 0.884 0.876231 0.007769013 methyl dihydrojasmonate 1.003 1.020814 -0.01781404 methyl di-t-butyl hydroxyhyd0.961 0.9890037 -0.02800371 methylene chloride 1.325 1.287858 0.03714182 methyl formate 0.974 1.050444 -0.07644394 N-methylglycine 1.093 1.037859 0.0551407 6-methyl-2-heptanol 0.827 0.8021365 0.02486347 2-methyl-2-heptene 0.724 0.7439923 -0.01999233 2-methylhexane 0.679 0.700821 -0.02182098 3-methylhexane 0.687 0.6990113 -0.01201129 methyl hexanoate 0.877 0.9096549 -0.03265486 2-methyl-hexanoic acid 0.918 0.9271391 -0.00913914 2-methyl-2-hexanol 0.812 0.7969134 0.01508653 5-methyl-2-hexanol 0.819 0.7964038 0.02259622 2-methyl-3-hexanone 0.825 0.8162223 0.008777667 methyl hydrazine 0.866 0.9022778 -0.03627783 1-methylimidazole 1.03 1.00852 0.02147993 methyl iodide 2.28 2.307144 -0.02714391 methyl isoamyl ketone 0.888 0.8345252 0.05347482 methyl isobutyl ketone 0.801 0.8315671 -0.03056709 methyl isobutyrate 0.891 0.9419982 -0.05099819 methyl isocyanate 0.923 1.060349 -0.1373494 1-methyl-4-isopropylcyclohex0.908 0.8595694 0.04843054 methyl isopropyl ketone 0.81 0.8373728 -0.02737277 methyl laurate 0.87 0.8997692 -0.02976918 methyl methacrylate 0.936 0.9851441 -0.04914414 1-methyl-3-(4-methylpent-3-e0.918 0.9307686 -0.01276865 1-Methyl-4-(4-methyl-3-pente0.9185 0.9307988 -0.01229879 1-methylnaphthalene 1.001 1.050058 -0.04905841 methyl nitrate 1.203 1.300981 -0.09798127 methyl N-methylanthranilate 1.12 1.113787 0.006212668 methyl octanoate 0.877 0.9047341 -0.02773419 methyl oleate 0.88 0.9033306 -0.02333055 4-methyl-1-oxaspiro[5.5]unde0.9575 0.9394675 0.01803243 methyl PEG-8 trisiloxane (SI1.007 0.8988073 0.1081927 2-methylpentane 0.653 0.6889698 -0.03596978 3-methylpentane 0.664 0.689432 -0.02543197 2-methyl-1-pentanol 0.824 0.8069836 0.01701639 2-methyl-2-pentanol 0.835 0.7933326 0.04166734 2-methyl-3-pentanol 0.819 0.7933381 0.02566187 3-methyl-2-pentanol 0.831 0.7930492 0.03795073 3-methyl-3-pentanol 0.824 0.7933313 0.03066876 4-methyl-1-pentanol 0.821 0.8448845 -0.02388451 4-methyl-2-pentanol 0.802 0.7927637 0.009236318 4-(4-Methyl-3-pentenyl)cyclo0.931 0.9614708 -0.03047084 methyl phenoxyacetate 1.149 1.110364 0.0386357 methyl phenylacetate 1.044 1.067495 -0.02349449 3-Methyl-4-phenylbutan-2-ol 0.9725 0.9550597 0.01744033 2-Methyl-4-phenyl-1-pentanol0.962 0.939556 0.02244399 1-methylpiperidine 0.816 0.8278937 -0.01189377 2-methyl-1-propanol 0.786 0.8046206 -0.01862062 2-methyl-2-propanol 0.786 0.7981805 -0.01218044 (3Z)-1-[(2-methyl-2-propenyl0.82 0.8122472 0.007752802 methyl propionate 0.915 0.9594949 -0.0444949 2-(2-Methylpropoxy)naphthale1.005 1.02931 -0.0243097 methyl propyl ether 0.7356 0.791792 -0.056192 2-Methyl-4-propyl-1,3-oxathi0.975 1.018884 -0.04388443 4-Methyl-2-propyl-1,3-oxathi0.945 0.9531083 -0.0081083 2-methylpyridine 0.944 0.9781092 -0.03410921 4-methylpyridine 0.9548 0.9656193 -0.01081928 N-methylpyrrole 0.914 0.9372429 -0.02324294 N-methyl pyrrolidinone 1.026 0.9908599 0.03514012 methyl salicylate 1.174 1.192756 -0.01875586 D-a-Methylserine 1.32 1.101059 0.2189409 methyl stearate 0.8498 0.8861442 -0.03634421 alpha-methylstyrene 0.91 0.9222284 -0.01222838 methyl sulfide 0.846 0.9451132 -0.0991132 methyl tert-butyl ether 0.7404 0.7915819 -0.05118193 2-methyltetrahydrofuran 0.854 0.8825889 -0.02858893 methyl thiocyanate 1.074 1.08986 -0.01585988 methyltrichlorosilane 1.273 1.283406 -0.01040648 methyl 2,5,10-trimehtyl-2,5,0.987 0.9784757 0.008524298 2-methyl-3-{(1,7,7-trimethyl0.969 0.9341663 0.03483365 3-methyl-4-(2,6,6-trimethyl-0.93 0.937355 -0.007354967 2-methyl-4-(2,2,3-trimethyl-0.921 0.8987896 0.02221037 2-methylundecanal 0.8303 0.8457711 -0.01547112 metolachlor 1.085 1.16019 -0.07519019 metribuzin 1.28 1.168445 0.1115552 molinate 1.0643 1.022971 0.04132912 molybdenum trioxide 4.69 4.69 -1.223022E-12 morpholine 0.999 0.9549327 0.04406725 motesanib 1.251 1.261472 -0.01047202 muscalure 0.806 0.800045 0.005954995 muscone 0.9221 0.8730679 0.04903216 mustard gas 1.2741 1.189394 0.08470543 mycenyl acetate 0.9075 0.9162825 -0.008782431 myrcene 0.794 0.7757889 0.01821113 myrcenol 0.85 0.8310398 0.0189602 myristalkonium chloride 0.96 0.9630538 -0.003053774 myristamide DEA 0.99 0.9671793 0.0228207 myristamine oxide 0.98 0.9372138 0.04278618 myristic acid 0.8622 0.9215387 -0.05933871 myristicin 1.1416 1.170291 -0.02869146 naphthalene 0.997 1.069709 -0.07270871 naphthenic acid 0.92 1.002876 -0.08287591 1-naphthol 1.1 1.192694 -0.09269381 2-naphthol 1.217 1.230621 -0.01362094 1-naphthylamine 1.114 1.116471 -0.002471036 2-naphthylamine 1.061 1.116843 -0.05584318 beta-naphthyl methyl ether 1.064 1.113805 -0.04980499 naphthoquinone 1.422 1.263784 0.1582157 natamycin 1.35 1.292705 0.05729546 2,6-dimethyl-4-heptylphenol 0.94 0.8971331 0.04286687 neon 0.9002 0.9002 -5.777601E-13 neopentyl alcohol 0.812 0.7966027 0.01539723 nerol 0.881 0.8824195 -0.001419488 nerolidol 0.872 0.8697581 0.00224183 neryl acetate 0.911 0.9205176 -0.009517618 nickel 8.908 8.908 3.907985E-13 nicotine 1.01 1.042057 -0.03205739 nicotinic acid [niacin] 1.473 1.389611 0.08338936 nikethamide 1.062 1.028754 0.03324635 nitramine 1.57 1.811916 -0.2419161 nitric acid 1.5129 1.548654 -0.03575413 nitric oxide 1.3402 1.292271 0.0479286 2-nitroaniline 1.442 1.270479 0.1715212 3-nitroaniline 0.9011 1.269829 -0.3687286 4-nitroaniline 1.424 1.270859 0.1531409 nitrobenzene 1.204 1.22857 -0.02456999 2-nitrobenzoic acid 1.575 1.573642 0.001358505 3-nitrobenzoic acid 1.494 1.573742 -0.07974226 4-nitrobenzoic acid 1.5997 1.573479 0.02622126 1-nitrobutane 0.973 1.030963 -0.05796281 nitrocyclopentane 1.086 1.09606 -0.01006008 nitroethane 1.045 1.112007 -0.06700712 nitrofen 1.33 1.471966 -0.1419655 nitrogen dioxide 2.62 2.62 1.079137E-13 nitroglycerine 1.6 1.597105 0.002894713 1-nitrohexane 0.939 1.00218 -0.06317988 nitromethane 1.127 1.197286 -0.07028647 2-nitrophenol 1.49 1.35408 0.1359204 3-nitrophenol 1.485 1.399214 0.08578642 4-nitrophenol 1.479 1.39927 0.07972973 1-nitropropane 0.998 1.060216 -0.06221564 2-nitropropane 0.992 1.063678 -0.07167807 1-nitrosopyrrolidine 1.085 1.078731 0.006268693 2-nitrotoluene 1.163 1.191509 -0.02850858 nitrous acid 1 1 -3.78142E-13 nitrous oxide 1.977 1.977 -5.142553E-13 nonacosane 0.8083 0.8041807 0.004119263 nonanal 0.827 0.8408366 -0.01383654 n-nonane 0.718 0.7357177 -0.01771773 1-nonanol 0.827 0.8545091 -0.02750901 2-nonenal 0.846 0.8829024 -0.03690235 nonoxynol-1 1 0.9597717 0.04022831 nonoxynol-10 1.06 1.03369 0.02630992 nonoxynol-11 1.06 1.037103 0.02289737 nonoxynol-12 1.06 1.040161 0.01983885 nonoxynol-13 1.05 1.04305 0.006949887 nonoxynol-14 1.06 1.045591 0.01440947 nonoxynol-15 1.07 1.047936 0.02206438 nonoxynol-2 0.99 0.9770864 0.01291363 nonoxynol-20 1.07 1.057313 0.01268678 nonoxynol-3 1.01 0.9873487 0.02265127 nonoxynol-4 1.02 0.9997506 0.02024938 nonoxynol-40 1.08 1.078189 0.001811187 nonoxynol-5 1.03 1.008106 0.02189374 nonoxynol-50 1.1 1.084921 0.01507883 nonoxynol-6 1.03 1.014971 0.01502909 nonoxynol-7 1.05 1.020715 0.02928545 nonoxynol-8 1.05 1.025476 0.02452438 nonoxynol-9 1.05 1.029849 0.02015087 nonoxynol-30octyl 1.08 1.069679 0.01032153 nonoxynol-9 phosphate 1.1 1.126177 -0.02617672 nonyl nonoxynol-10 phosphate1.06 1.034327 0.02567253 nonyl nonoxynol-7 phosphate 1.1 1.067852 0.03214844 2-nonylphenol 0.95 0.9513697 -0.001369703 4-nonylphenol 0.94 0.9503518 -0.01035183 norcamphor 1.03 1.034313 -0.004313283 norcarane 0.914 0.8740075 0.03999246 norspermidine 0.938 0.886542 0.05145798 noruron 1.162 1.097681 0.06431882 alpha-ocimene 0.8 0.7757832 0.02421676 beta-ocimene 0.801 0.7745448 0.02645518 cis-beta-ocimene 0.8 0.7742297 0.02577032 trans-ß-ocimene 0.8 0.7741627 0.02583729 octachloronaphthalene 2 2.00763 -0.007629978 octadecane 0.777 0.7763104 0.0006895493 octafluorocyclobutane 1.65 1.69392 -0.04391969 octahydrocoumarin 1.092 1.074827 0.01717267 1,2,3,4,5,6,7,8-octahydro-8,0.986 0.9882999 -0.002299884 octahydro-4,7-methano-1H-ind1.031 1.047914 -0.01691413 octahydro-4,7-methano-1H-ind1.051 1.066694 -0.01569407 octanal 0.821 0.8387093 -0.01770929 n-octane 0.703 0.7259315 -0.02293149 octanoic acid 0.91 0.936498 -0.02649797 1-octanol 0.827 0.8542468 -0.02724677 2-octanol 0.819 0.8147824 0.004217569 4-octanol 0.8186 0.8110245 0.007575483 3-octanone 0.822 0.8323439 -0.01034386 4-octanone 0.8146 0.8149596 -0.00035966 1-octene 0.715 0.7265677 -0.01156777 octoxynol-1 0.99 0.9711388 0.01886115 octoxynol-10 1.05 1.042979 0.007020492 octoxynol-13 1.06 1.051944 0.008056289 octoxynol-16 1.08 1.058684 0.02131623 octoxynol-3 1.02 0.9998657 0.02013434 octoxynol-30 1.1 1.077394 0.022606 octoxynol-4 1.03 1.00977 0.02023029 octoxynol-40 1.1 1.085565 0.01443496 octoxynol-5 1.05 1.017819 0.03218141 octoxynol-7 1.05 1.030165 0.01983535 octoxynol-9 1.053 1.039256 0.01374423 octyl acetate 0.87 0.8999323 -0.02993224 octyl methoxycinnamate 1.01 1.012652 -0.002651806 n-octyl pyrrolidinone 0.92 0.9134715 0.00652853 ofurace 1.366 1.268918 0.09708189 oleamide 0.879 0.9011906 -0.02219054 oleamide DEA 0.98 0.9268487 0.05315131 oleamide MIPA 0.9 0.9086841 -0.008684167 oleamine 0.813 0.8245239 -0.01152392 oleamine oxide 0.9 0.9593676 -0.05936767 oleic acid 0.891 0.9289329 -0.03793295 oleth-10 0.98 0.9897302 -0.009730202 oleth-12 1 0.9997813 0.0002186977 oleth-15 1.02 1.011576 0.008424442 oleth-2 0.9 0.905426 -0.005425997 oleth-20 1.04 1.025255 0.01474481 oleth-5 0.94 0.9499056 -0.00990563 oleyl alcohol 0.83 0.8527731 -0.02277317 oleyl betaine 0.95 0.8582822 0.09171776 omtriptolide sodium 1.49 1.49 2.487344E-12 oxacycloheptadecan-2-one 1 0.9237498 0.07625017 oxamide 1.667 1.667 8.770762E-14 oxazole 1.05 1.158278 -0.1082783 oxetane 0.893 0.9179701 -0.02497006 oxirane 0.882 0.9772384 -0.09523839 oxydeprofos 1.257 1.229795 0.02720512 oxyfluorfen 1.49 1.488593 0.001406736 oxygen 1.43 1.415593 0.01440718 ozone 2.144 2.144 -9.170442E-13 pafuramidine 1.25 1.25989 -0.009890163 palifosfamide 1.411 1.326283 0.08471698 palmatine 1.23 1.285272 -0.05527155 palmitamide DEA 0.96 0.9455513 0.01444873 palmitamine 0.8129 0.81093 0.001970038 palmitamine oxide 0.9 0.9399911 -0.0399911 palmitic acid 0.853 0.9171984 -0.0641984 palmitoleic acid 0.894 0.9385406 -0.04454062 panthenol 1.162 1.126544 0.03545591 pantothenic acid 1.266 1.171058 0.09494202 parasorbic acid 1.079 1.078666 0.0003341559 pareth-15-12 1.02 1.008594 0.01140567 pareth-15-15 1.01 1.019469 -0.009469545 pareth-15-20 1.04 1.032434 0.007565873 pareth-15-3 0.93 0.9319595 -0.001959439 pareth-15-30 1.06 1.048836 0.01116368 pareth-15-40 1.06 1.059512 0.0004884519 pareth-15-5 0.965 0.9596048 0.005395192 pareth-15-7 0.99 0.9785777 0.01142235 pareth-15-9 1.01 0.9925215 0.01747853 patchouli alcohol 1.0284 0.9449773 0.08342257 PCNB 1.718 1.926377 -0.2083767 pebulate 0.96 0.9298339 0.0301661 PEG-12 1.126 1.109194 0.01680587 PEG-150 1.0845 1.032862 0.05163809 PEG-20 1.1 1.105841 -0.005841117 PEG-32 1.092 1.099667 -0.007666565 PEG-4 1.124 1.108101 0.01589874 PEG-6 1.126 1.109695 0.01630461 PEG-75 1.0926 1.075672 0.01692791 PEG-8 1.127 1.109993 0.01700692 PEG-20 castor oil 1.03 1.020427 0.009573402 PEG-25 castor oil 1.04 1.033357 0.006642573 PEG-30 castor oil 1.045 1.052732 -0.007731603 PEG-36 castor oil 1.055 1.063851 -0.008850608 PEG-40 castor oil 1.05 1.069132 -0.01913201 PEG-5 castor oil 0.984 0.9583065 0.02569355 PEG-10 cocamine 1.01 1.021794 -0.01179399 PEG-15 cocamine 1.04 1.045486 -0.00548589 PEG-2 cocamine 0.87 0.9118099 -0.0418099 PEG-5 cocamine 0.98 0.977599 0.002401078 PEG-5 cocoate 1 1.019826 -0.01982632 PEG-4 dilaurate 0.96 0.9279315 0.03206851 PEG-6 dilaurate 0.975 0.9443198 0.03068018 PEG-8 dilaurate 0.99 0.9571516 0.03284841 PEG-8 dioleate 0.98 0.9556197 0.02438032 PEG-12 distearate 0.97 0.9549917 0.01500835 PEG-150 distearate 1.075 1.076952 -0.001952062 PEG-8 distearate 0.93 0.9328602 -0.002860206 PEG-12 laurate 1.01 1.055429 -0.04542946 PEG-4 laurate 0.99 1.010646 -0.02064551 PEG-8 laurate 1.03 1.03937 -0.00936976 PEG-15 oleamine 1.04 1.027249 0.01275069 PEG-2 oleamine 0.9 0.8912645 0.008735504 PEG-5 oleamine 0.96 0.9312875 0.0287125 PEG-10 oleate 1.028 1.029009 -0.001008989 PEG-12 oleate 1.04 1.037278 0.002721604 PEG-14 oleate 1.1 1.045862 0.05413767 PEG-4 oleate 0.94 0.9868181 -0.04681808 PEG-5 oleate 0.99 0.9966768 -0.006676764 PEG-6 oleate 0.98 1.005069 -0.02506881 PEG-8 oleate 0.98 1.018592 -0.03859177 PEG-9 oleate 1.01 1.026249 -0.01624867 PEG-10 stearamine 1 0.9697885 0.03021151 PEG-15 stearamine 1.04 0.9966791 0.04332091 PEG-2 stearamine 0.92 0.8775908 0.04240921 PEG-5 stearamine 0.96 0.9222178 0.03778211 PEG-50 stearamine 1.1 1.058131 0.04186885 PEG-10 stearate 1.02 1.018718 0.001281681 PEG-12 stearate 1 1.027692 -0.02769207 PEG-150 stearate 1.08 1.094537 -0.01453707 PEG-2 stearate 1.02 0.9453368 0.07466318 PEG-20 stearate 1.03 1.05054 -0.02053975 PEG-32 stearate 1.05 1.067393 -0.01739309 PEG-4 stearate 0.94 0.9731848 -0.03318484 PEG-5 stearate 1.01 0.9837876 0.02621236 PEG-6 stearate 0.97 0.9928308 -0.02283075 PEG-75 stearate 1.075 1.087031 -0.01203138 PEG-8 stearate 0.98 1.007437 -0.02743679 PEG-15 stearmonium chloride 1.058 1.140427 -0.08242679 PEG-2 stearmonium chloride 0.919 0.933962 -0.01496199 pelargonic acid 0.9 0.933935 -0.03393507 pelletierine 0.988 0.9690234 0.0189766 pempidine 0.858 0.8020561 0.05594387 pendimethalin 1.19 1.283943 -0.09394316 pentaborane 0.618 0.6428353 -0.02483536 pentacene 1.3 1.267895 0.03210528 pentachloroethane 1.68 1.539322 0.1406776 pentadecane 0.769 0.7696702 -0.0006702346 pentaerythritol tetranitrate1.77 1.882613 -0.1126133 pentafluoroethane 1.53 1.51667 0.01332987 3,4,5,6,6-pentamethylheptan-0.868 0.7594703 0.1085297 (E)-3,4,5,6,6-pentamethylhep0.869 0.8187814 0.05021863 (Z)-3,4,5,6,6-pentamethylhep0.869 0.8200638 0.04893624 1,5-pentanediol 0.994 0.9983935 -0.004393462 n-pentane 0.626 0.688091 -0.06209098 pentanoic acid 0.94 0.960729 -0.02072898 1-pentanol 0.811 0.8563216 -0.04532166 2-pentanol 0.812 0.8036494 0.008350627 3-pentanol 0.815 0.803648 0.01135198 2-pentanone 0.812 0.8490861 -0.03708611 3-pentanone 0.816 0.8490924 -0.03309235 pentasodium tripolyphosphate2.52 2.515124 0.004875769 1-pentene 0.64 0.680083 -0.04008301 pentyl butyrate 0.86 0.8568538 0.003146204 pentyl pentanoate 0.874 0.8450371 0.02896292 pentyl propanoate 0.87 0.887015 -0.01701502 pent-2-yne 0.71 0.7418424 -0.03184242 perflubutane 1.6484 1.696471 -0.04807069 perfluoro(2-methyl-3-pentano1.723 1.755421 -0.03242097 perfluorooctanoic acid 1.792 1.833229 -0.04122892 perilla ketone 0.992 1.007145 -0.015145 perillene 0.9017 0.9462402 -0.04454018 alpha-phellandrene 0.846 0.8470124 -0.001012405 beta-phellandrene 0.85 0.8374123 0.0125877 phenanthrene 1.179 1.180932 -0.001931949 phenethyl acetate 1.032 1.052978 -0.02097766 phenethyl alcohol 1.017 1.025726 -0.008726168 phenethylamine 0.962 0.9724686 -0.01046852 phenol 1.071 1.113755 -0.04275513 phenolphthalein 1.277 1.264421 0.01257853 phenothiazine 1.34 1.226426 0.1135737 phenoxyacetaldehyde 1.11 1.069419 0.04058149 phenylacetaldehyde 1.079 1.025381 0.05361899 phenyl acetate 1.073 1.096541 -0.02354124 phenylacetic acid 1.091 1.129615 -0.03861533 phenylacetone 1.006 1.02319 -0.01718954 L-phenylalanine 1.29 1.251097 0.03890247 4-phenyl butanol 0.975 1.00605 -0.03105006 m-phenylenebis(methylamine) 1.032 1.006409 0.025591 p-phenylenediamine 1.1 1.049999 0.05000097 3-phenylpropanol 0.995 1.016876 -0.02187595 3-phenylpropionitrile 1.008 1.015262 -0.007261864 2-phenylpyridine 1.086 1.133725 -0.0477254 3-phenylpyridine 1.082 1.123669 -0.04166878 phenyl salicylate 1.2614 1.210381 0.05101937 phenylsilane 0.877 0.901744 -0.02474404 phosdiphen 1.405 1.436221 -0.0312213 phosgene 1.379 1.479093 -0.1000933 phosphine 1.379 1.289504 0.08949626 phosphoric acid 1.892 1.702719 0.1892812 phosphorous acid 1.651 1.633192 0.01780798 phosphorus pentachloride 2.1 2.1 -7.971401E-13 phosphorus pentasulfide 2.09 2.115981 -0.02598128 phosphorus pentoxide 2.39 2.378617 0.01138318 phosphorus sesquioxide 2.08 1.996765 0.08323501 phosphorus trichloride 1.574 1.637115 -0.06311508 phosphorus trioxide 2.135 2.206651 -0.07165069 phosphoryl bromide 2.82 2.82 5.258016E-13 phosphoryl chloride 1.645 1.712937 -0.06793746 phthalic acid 1.593 1.614605 -0.02160508 phytol 0.85 0.8176649 0.03233518 picric acid 1.763 1.727921 0.03507856 pimagedine 1.72 1.716464 0.003536168 alpha-pinene 0.858 0.8805562 -0.02255625 beta-pinene 0.872 0.877421 -0.005421066 piperalin 1.18 1.30965 -0.1296497 piperidine 0.861 0.8489521 0.01204787 piperine 1.193 1.230299 -0.03729885 piperitone 0.9331 0.9200186 0.01308136 piperonyl butoxide 1.05 1.061681 -0.01168135 plasmocid 1.0569 1.106507 -0.04960716 poloxamer 101 1.02 1.058201 -0.03820094 poloxamer 105 1.06 1.077368 -0.01736858 poloxamer 108 1.07 1.013018 0.05698207 poloxamer 122 1.03 1.061862 -0.03186198 poloxamer 123 1.04 1.066461 -0.02646101 poloxamer 124 1.05 1.072975 -0.02297516 poloxamer 181 1.01 1.049209 -0.03920883 poloxamer 183 1.04 1.063826 -0.02382565 poloxamer 184 1.05 1.036832 0.01316778 poloxamer 185 1.06 1.074129 -0.01412943 poloxamer 212 1.03 1.057374 -0.02737371 poloxamer 215 1.06 1.074316 -0.01431622 poloxamer 217 1.04 1.077383 -0.03738263 poloxamer 231 1.02 1.05052 -0.03052032 poloxamer 234 1.03 1.047676 -0.01767638 poloxamer 235 1.04 1.050275 -0.01027473 poloxamer 237 1.04 1.075194 -0.03519431 poloxamer 238 1.06 1.06325 -0.003250002 poloxamer 282 1.03 1.052673 -0.0226727 poloxamer 284 1.04 1.065741 -0.02574137 poloxamer 288 1.06 1.054187 0.005812658 poloxamer 331 1.02 1.042725 -0.02272505 poloxamer 334 1.04 1.068586 -0.02858629 poloxamer 335 1.05 1.07135 -0.02135019 poloxamer 338 1.06 1.053243 0.006756916 poloxamer 401 1.01 1.03266 -0.02265961 poloxamer 402 1.03 1.044751 -0.01475114 poloxamer 403 1.02 1.05381 -0.03380956 poloxamer 407 1.05 1.065111 -0.01511149 poloxamine 304 1.06 1.090639 -0.03063931 poloxamine 504 1.04 1.042269 -0.002269035 poloxamine 701 1.02 0.9619877 0.05801224 poloxamine 702 1.03 0.9605549 0.06944505 poloxamine 704 1.04 0.9799628 0.06003719 polyacrylic acid 1.41 1.409917 0.00008285121 polyethylene terephthalate (1.455 1.454637 0.0003631173 polysorbate 20 1.1 1.115528 -0.0155281 polysorbate 21 1.1 1.097095 0.002905195 polysorbate 40 1.08 1.116516 -0.03651647 polysorbate 60 1.1 1.056501 0.04349881 polysorbate 61 1.06 1.033693 0.02630654 polysorbate 65 1.1 1.045853 0.05414655 polysorbate 80 1 1.054822 -0.05482182 polysorbate 81 1 1.036863 -0.0368632 polysorbate 85 1 1.061208 -0.06120784 potassium benzoate 1.5 1.5 -1.869616E-12 potassium bicarbonate 2.17 2.120877 0.04912339 potassium chloride 1.984 1.922884 0.06111563 potassium hydroxide 2.044 2.044 -6.070699E-13 potassium nitrate 2.109 2.150591 -0.04159133 potassium nitrite 1.914986 1.914986 -5.391243E-13 potassium phosphate, dibasic2.44 2.440075 -0.00007543182 potassium ricinoleate 1.034 1.041383 -0.007382547 potassium sorbate 1.363 1.324845 0.03815486 potassium thiocyanate 1.886 1.886 -5.158096E-13 PPG-12 1.004 0.9714355 0.03256442 PPG 124 1.385 1.31763 0.06736968 PPG-17 1.007 0.9825629 0.02443708 PPG-20 1.007 0.989179 0.01782098 PPG-26 1.002 1.002321 -0.000320897 PPG-30 1.002 1.011052 -0.009051791 PPG-9 1.005 0.9646106 0.04038944 PPG-24-buteth-27 1.041 1.012096 0.02890431 PPG-28-buteth-35 1.05 1.018499 0.03150063 PPG-33-buteth-45 1.05 1.025485 0.02451507 PPG-25 diethylmonium chlorid1.01 0.9913568 0.01864323 PPG-40 diethylmonium chlorid1.01 0.9785383 0.03146167 PPG-9 diethylmonium chloride1.01 1.066612 -0.05661229 PPG-3 myristyl ether 0.9 0.896594 0.003405996 PPG-36 oleate 0.987 0.997189 -0.01018902 PPG-11 stearyl ether 0.939 0.9431722 -0.004172189 prenyl acetate 0.919 0.9278582 -0.008858227 procymidone 1.43 1.340728 0.08927212 prodiamine 1.47 1.461251 0.008749143 L-proline 1.064 1.106945 -0.04294522 propachlor 1.242 1.124592 0.1174082 1,3-propanediol 1.053 1.051203 0.001796524 1,3-propanedithiol 1.0772 1.089511 -0.01231111 1,3-propanesultone 1.392 1.336849 0.05515105 1-propanethiol 0.841 0.9084019 -0.06740188 2-propanethiol 0.8143 0.9075423 -0.09324235 propanil 1.25 1.369933 -0.1199333 1-propanol 0.804 0.811411 -0.007410922 2-propanol 0.785 0.8104504 -0.02545033 propargyl alcohol 0.963 0.87867 0.08432994 propenal 0.8389 0.8665449 -0.02764489 (E)-1-propenol 0.854 0.8630212 -0.009021232 propham 1.09 1.090944 -0.0009439472 beta-propiolactone 1.142 1.106008 0.03599156 propionic acid 0.99 0.998865 -0.008865017 propionitrile 0.772 0.834973 -0.06297296 propofol 0.955 0.9201909 0.03480912 propyl acetate 0.888 0.9206679 -0.03266793 n-propylamine 0.719 0.7687786 -0.04977861 propylene carbonate 1.205 1.166369 0.03863091 propylene glycol 1.036 0.9392616 0.09673844 propylene glycol stearate 0.849 0.9131241 -0.06412416 R-(+)-propylene oxide 0.829 0.9279202 -0.09892019 S-(-)-propylene oxide 0.829 0.9279357 -0.09893569 propyl formate 0.904 0.9491012 -0.04510117 2-propyn-1-amine 0.803 0.8302987 -0.0272987 propyne 0.7062 0.7128618 -0.006661748 pulegone 0.9346 0.9124557 0.02214429 pyrazine 1.031 1.100801 -0.06980135 pyrazolidine 0.9952 0.9438269 0.05137308 pyrene 1.271 1.261499 0.009500585 pyridaphenthion 1.325 1.275026 0.04997445 pyridazine 1.1035 1.115067 -0.01156721 pyridine 0.983 1.005506 -0.02250645 2-pyridinecarbonitrile 1.081 1.116798 -0.03579813 2-pyridineethanol 1.093 1.097761 -0.004761059 2-pyridinemethanol 1.131 1.080777 0.05022314 2-pyridylacetonitrile 1.059 1.091597 -0.03259733 pyrifenox 1.28 1.241578 0.03842251 pyrimidine 1.016 1.107943 -0.09194336 2-pyrone 1.197 1.1593 0.03769996 pyrrole 0.967 1.021501 -0.05450092 pyrrolidine 0.852 0.8497258 0.002274141 2-pyrrolidone 1.1116 1.031816 0.07978443 3-pyrroline 0.902 0.923808 -0.02180799 quinaldine 1.058 1.107387 -0.04938674 quinic acid 1.35 1.470146 -0.120146 quinoline 1.09 1.13864 -0.04864018 R-25788 1.202 1.142957 0.05904263 radon 9.73 9.720785 0.009214188 resorcinol 1.272 1.307281 -0.03528065 resorcinol diacetate 1.178 1.223799 -0.04579913 Rhodamine 6G 1.26 1.265048 -0.005048335 rhodanine 0.868 0.868 4.041212E-13 rhodinol 0.8549 0.8539897 0.0009103399 sabinene 0.844 0.9789943 -0.1349944 saccharin 0.828 0.828 7.077672E-13 safrole 1.095 1.113992 -0.01899222 salicyl alcohol 1.16 1.140538 0.01946168 salicylaldehyde 1.167 1.19267 -0.02566983 salicylic acid 1.443 1.410802 0.03219815 sarin 1.09 1.079715 0.01028524 SC-0224 1.23 1.23 2.960299E-12 selenium 4.39 4.39 2.682299E-13 semagacestat 1.22 1.239109 -0.01910932 senecionine 1.25 1.224905 0.02509477 L-serine 1.603 1.499642 0.1033577 sevoflurane 1.505 1.495425 0.009574976 siduron 1.08 1.062814 0.01718619 silane 1.114 0.827333 0.286667 silicic acid, disodium salt 2.43 2.407561 0.02243908 silicon carbide 3.21 3.21 2.858158E-12 silicon dioxide 2.648 2.659563 -0.01156323 silver 10.49 10.49 -1.776357E-15 silver bromide 6.47 6.47 -8.011369E-13 silver chloride 5.56 5.464405 0.09559476 silver fluoride 5.852 5.947595 -0.09559476 silver nitrate 4.35 4.35 -1.025846E-12 simazine 1.3 1.251482 0.04851844 sodium acetate 1.528 1.605469 -0.07746923 sodium amide 1.39 1.39 -3.18634E-13 sodium benzoate 1.497 1.433491 0.06350866 sodium bicarbonate 2.2 2.249123 -0.04912339 sodium bisulfate 2.742 2.742 -8.721912E-13 sodium bisulfite 1.48 1.48 -5.002665E-13 sodium borohydride 1.074 1.005866 0.06813429 sodium carbonate 2.54 2.595543 -0.05554321 sodium chromate 2.698 2.640836 0.05716417 sodium cyanoborohydride 1.2 1.336918 -0.1369177 sodium dichromate 2.52 2.575053 -0.05505269 sodium dithionite 2.38 2.457612 -0.07761163 sodium formate 1.92 1.664569 0.2554312 sodium hydride 1.396 1.396 -3.390621E-13 sodium iodate 4.28 4.259003 0.02099757 sodium lauroyl sarcosinate 1.025 1.025 -1.543454E-11 sodium metabisulfite 1.48 1.43698 0.04302037 sodium myristyl sulfate 1.031 1.031794 -0.0007944149 sodium nitrate 2.257 2.26181 -0.004809598 sodium nitrite 2.168 2.168 -5.737633E-13 sodium nonoxynol-9 phosphate1.1 1.1 3.752998E-12 sodium oxide 2.27 2.258375 0.01162536 sodium pareth-25 sulfate 1.03 1.03053 -0.0005296099 sodium persulfate 2.4 2.368266 0.03173428 sodium selenide 2.62 2.62 -6.590284E-13 sodium silicate 2.4 2.518627 -0.1186268 sodium sulfate 2.664 2.68008 -0.01607974 sodium sulfite 2.633 2.493856 0.1391435 sodium telluride 2.9 2.9 -5.702105E-13 sodium tetrahydroaluminate 1.24 1.24 1.723066E-13 sodium xylenesulfonate 1.2 1.275196 -0.07519641 sorbitan dioleate 1 0.9644521 0.03554786 sorbitan oleate 1.01 1.002501 0.007499377 sorbitan sesquioleate 0.989 1.022295 -0.03329451 sorbitan stearate 1.01 0.9864582 0.02354178 sorbitan trioleate 1 0.9709859 0.0290141 sorbitol 1.2879 1.328957 -0.04105738 sotolon 1.049 1.151277 -0.1022771 soyamine 0.81 0.8409921 -0.03099209 sozoiodolic acid 2.8 2.852576 -0.05257617 spermidine 0.925 0.8821493 0.04285073 spermine 0.937 0.9035162 0.03348381 squalane 0.81 0.7482154 0.06178463 squalene 0.8584 0.8618318 -0.003431882 stannous chloride 3.95 3.95 -8.268941E-13 stannous fluoride 4.57 4.57 -7.354117E-13 stearalkonium chloride 0.97 0.933962 0.03603801 stearamide DEA 0.96 0.9229485 0.03705152 stearamide MEA 0.89 0.9101312 -0.02013122 stearamide MEA-stearate 0.844 0.8519095 -0.007909546 stearamine 0.8618 0.8063639 0.0554361 stearamine oxide 0.99 0.9420032 0.04799681 stearoyl chloride 0.897 0.7871014 0.1098986 stearyl alcohol 0.815 0.8399537 -0.02495363 cis-stilbene 1.011 1.072123 -0.06112292 trans-stilbene 0.97 1.071704 -0.1017044 Stoddard solvent 0.79 0.7507852 0.03921486 styrene 0.909 0.8904299 0.01857012 succinic anhydride 1.5 1.253462 0.2465383 succinimide 1.41 1.205061 0.2049393 sucrose 1.587 1.594693 -0.007693212 sulfamide 1.611 1.486148 0.1248517 sulfanilamide 1.08 1.32851 -0.24851 sulfanilic acid 1.485 1.387429 0.09757087 sulfentrazone 1.21 1.645278 -0.4352776 sulfluramid 1.62 1.822621 -0.2026214 sulfolane 1.2606 1.197187 0.06341269 sulfur dioxide 2.6288 2.6288 -8.348877E-13 sulfur hexafluoride 6.17 6.17 -1.540101E-12 sulfuric acid 1.87 1.694359 0.1756407 sulfur mustard 1.27 1.1894 0.08060003 sulfur trioxide 1.92 1.757772 0.1622276 synephrine 1.6721 1.6721 6.130652E-13 2,4,5-T 1.8 1.723888 0.07611213 tantalum carbide 14.3 14.3 -1.136868E-13 tantalum(V) chloride 3.68 3.68 1.018741E-12 tantalum(V) fluoride 4.74 4.74 2.060574E-13 tantalum(IV) sulfide 6.86 6.86 -4.520828E-13 L-tartaric acid 1.79 1.81583 -0.02583037 TCA 1.6013 1.529955 0.0713454 TEA-dodecylbenzenesulfonate 1.07 1.096675 -0.02667488 TEA-lauryl sulfate 1.02 1.170314 -0.1503137 terbacil 1.34 1.226379 0.1136211 terephthalic acid 1.522 1.57623 -0.05423025 terpineol acetate 0.959 0.9768336 -0.01783358 alpha-terpineol 0.9386 0.9024653 0.03613468 terpinolene 0.8632 0.8407507 0.02244931 2-tert-butylcyclohexyl aceta0.942 0.9483808 -0.006380879 4-tert-butylcyclohexyl aceta0.9375 0.9656435 -0.02814344 2-tert-butylphenol 0.9783 0.9708117 0.007488272 4-tert-butylphenol 0.908 0.9948286 -0.08682868 4-tert-octylphenol 0.89 0.9351564 -0.04515643 4-tert-pentylcyclohexanone 0.923 0.8922699 0.03073006 1,1,2,2-tetrabromoethane 2.967 2.922086 0.04491352 1,2,4,5-tetrachlorobenzene 1.858 1.729994 0.1280062 1,1,2,2-tetrachloroethane 1.586 1.450398 0.135602 tetrachloroethylene 1.623 1.52922 0.09377975 tetrachlorosilane 1.48 1.503127 -0.02312737 tetracosane 0.797 0.7846514 0.01234858 tetradecane 0.763 0.7663388 -0.003338726 tetraethylene glycol dimethy1.009 0.952719 0.05628091 tetraethylenepentamine 0.998 0.9659992 0.03200084 tetraethyllead 1.653 1.653 3.498313E-12 tetraethyl orthosilicate 0.933 0.9821138 -0.04911378 2,3,3,3-tetrafluoro-1-propen1.1 1.360446 -0.2604458 tetrahydro-4-methyl-2-propyl0.98 1.006435 -0.0264352 tetrahydrofuran 0.887 0.8939729 -0.006972829 tetrahydro-4-methyl-2-(2-met0.9495 0.9255189 0.02398116 tetrahydronaphthalene 0.973 0.972464 0.0005359371 tetrahydro-3-pentyl-2H-pyran0.976 1.016313 -0.04031271 tetrahydropyran 0.881 0.886674 -0.005674075 tetrahydrothiophene 0.999 0.9817927 0.01720734 tetralin 0.975 0.9770407 -0.002040708 alpha-tetralone 1.099 1.092686 0.006313598 1-(2,3,8,8-tetramethyl-1,2,30.964 0.9281789 0.03582106 1-(2,3,8,8-tetramethyl-1,2,30.964 0.9188387 0.04516125 4,9,12,12-tetramethyl-5-oxat0.941 0.9358491 0.005150924 tetramethylsilane 0.641 0.7305541 -0.08955412 1,1,3,3-tetramethylurea 0.971 0.969396 0.001604029 tetranitromethane 1.623 1.903645 -0.2806452 tetrasodium dicarboxyethyl s1.12 1.163227 -0.0432272 thianaphthene 1.15 1.229888 -0.07988816 thiazole 1.2 1.211643 -0.01164255 thiazolidine 1.131 1.042921 0.08807911 thietane 1.028 1.015242 0.01275759 thiirane 1.01 1.084735 -0.07473474 thimerosal 2.508 2.491529 0.0164715 thiobencarb 1.16 1.189393 -0.0293928 thiocyanic acid 2.04 2.04 -7.074341E-13 thiomorpholine 1.026 0.9984264 0.02757366 thiophene 1.0649 1.139899 -0.07499887 thiophenol 1.0766 1.103662 -0.0270622 thiophosphoryl chloride 1.67 1.690119 -0.02011945 thiopropionic acid 1.218 1.184755 0.03324459 thiourea 1.405 1.175287 0.229713 L-Threo-B-hydroxyleucine 1.181 1.312079 -0.1310793 thujone 0.92 0.9496883 -0.02968823 thymol 0.96 0.9705522 -0.0105522 tin 7.365 7.365 -8.020251E-13 tin dioxide 6.95 6.95 -8.597567E-13 tin(II) oxide 6.45 6.45 -1.05338E-12 titanium carbide 4.93 4.925472 0.004527365 titanium chloride 2.64 2.64 -1.063594E-12 titanium diboride 4.52 4.52 -7.203127E-13 titanium dioxide 4.13 4.13 -1.215916E-12 titanium isopropoxide 0.96 1.051962 -0.09196215 titanium nitride 5.22 5.22 -1.151967E-12 titanium tetrachloride 1.726 1.797023 -0.07102298 p-tolualdehyde 1.019 1.022435 -0.003435397 toluene 0.867 0.9049183 -0.03791829 toluene sulfonic acid 1.24 1.330599 -0.09059874 o-toluic acid 1.06 1.159191 -0.09919057 p-toluic acid 1.06 1.14655 -0.08655053 p-toluidine 1 0.9716066 0.0283934 p-tolunitrile 0.9805 1.012097 -0.03159745 toxaphene 1.65 1.63752 0.01248034 transfluthrin 1.507 1.402526 0.1044743 trehalose 1.58 1.56774 0.01225968 triacetin 1.1562 1.177809 -0.02160867 triacontanyl palmitate 0.855 0.8827172 -0.02771715 triadimefon 1.22 1.287847 -0.06784669 triadimenol 1.27 1.256551 0.01344898 triallate 1.273 1.281068 -0.008068076 3,4,5-triaminopyridine 1.387 1.173754 0.2132459 1,3,5-triazine 1.38 1.22936 0.1506402 tributyl phosphate 0.9727 0.9448833 0.02781671 trichloroacetic acid 1.63 1.545609 0.08439104 1,2,4-trichlorobenzene 1.46 1.578483 -0.1184825 1,1,1-trichloroethane 1.338 1.335057 0.002943004 2,2,2-trichloroethanol 1.55 1.396677 0.153323 trichloroethylene 1.462 1.439746 0.02225427 trichlorofluoromethane 1.494 1.548765 -0.05476501 trichloroisocyanuric acid 2.19 2.19 -6.679102E-13 2,4,6-trichlorophenol 1.675 1.593137 0.08186339 trichlorosilane 1.342 1.404922 -0.06292192 2,2',2''-trichlorotriethylam1.2347 1.159932 0.07476742 1,1,2-trichlorotriflouroetha1.564 1.620264 -0.05626417 tricresyl phosphate 1.143 1.158221 -0.01522153 tricyclazole 1.4 1.316299 0.08370078 tricyclodecenyl propionate 1.052 1.077328 -0.02532827 tridecane 0.756 0.7619109 -0.00591092 trideceth-10 1.02 0.9976381 0.0223619 trideceth-12 1.03 1.0073 0.02269968 trideceth-15 1.02 1.018516 0.001483632 trideceth-3 0.94 0.9307684 0.009231548 trideceth-6 0.98 0.9689872 0.01101283 trideceth-6 phosphate 1.05 1.10205 -0.05204964 trietazine 1.22 1.217828 0.002171999 triethanolamine 1.124 1.155042 -0.03104241 triethylaluminium 0.8324 0.8084027 0.02399739 triethylamine 0.726 0.7445532 -0.01855317 triethylborane 0.677 0.6333456 0.04365439 triethyl citrate 1.33 1.311572 0.0184276 triethylene glycol 1.125 1.106116 0.01888427 triethylene glycol dimethacr1.072 1.067681 0.004318856 triethylene glycol dimethyl 0.986 0.946778 0.03922201 triethylene glycol ethyl eth1.018 1.002659 0.01534108 triethyl phosphate 1.072 1.123229 -0.05122902 trifloxystrobin 1.36 1.384423 -0.02442274 trifluoroacetic acid 1.489 1.512872 -0.02387242 trifluoromethylbenzene 1.199 1.250118 -0.05111782 trilinolein 0.925 0.9659171 -0.04091703 N-(3-(Trimethoxysilyl)propyl1.028 1.016761 0.01123884 trimethylaluminium 0.752 0.752 4.622414E-12 trimethylamine 0.656 0.7726305 -0.1166305 1,2,3-trimethylbenzene 0.89 0.8779735 0.0120265 1,2,4-trimethylbenzene 0.8761 0.8785623 -0.002462273 (1,7,7-trimethylbicyclo(2.2.0.981 0.9489701 0.03202985 trimethylcyclododeca-5,9-die0.908 0.9896228 -0.08162279 alpha,3,3-trimethyl-1-cycloh0.936 0.9510013 -0.01500133 1-(3,5,6-trimethyl-3-cyclohe0.879 0.9165481 -0.03754807 1-(2,6,6-trimethyl-2-cyclohe0.926 0.941833 -0.01583298 alpha,3,3-trimethylcyclohexy0.928 0.9361745 -0.008174474 trimethylcyclopentenylmethyl0.984 0.9504163 0.03358379 3,5,5-trimethylhexyl acetate0.866 0.8528572 0.01314284 2,3,4-trimethylpentane 0.718 0.685987 0.03201301 2,2,4-trimethyl-4-phenyl-but0.925 0.9494178 -0.02441785 trimethyl phosphate 1.2144 1.273238 -0.05883754 trimethylsilanol 0.8144 0.8509922 -0.03659216 trimyristin 0.862 0.8655913 -0.003591383 trinitromethane 1.469 1.717988 -0.2489876 triphenylene 1.302 1.233761 0.06823879 tripotassium phosphate 2.564 2.591091 -0.02709139 tripropylamine 0.753 0.724228 0.02877204 TRISAMBER® 0.935 0.9083418 0.0266582 trisilane 0.743 0.8793815 -0.1363816 trisodium citrate 1.7 1.693299 0.006700947 tromethamine 1.328 1.087287 0.2407129 tropane 0.931 0.9210644 0.009935593 tuamnoheptane 0.766 0.7851052 -0.01910522 tungsten 19.25 19.25 -2.323475E-12 tungsten carbide 15.63 15.63 3.909406E-11 tungsten hexacarbonyl 2.65 2.65 2.68674E-13 tungsten hexachloride 3.52 3.52 -2.979839E-13 tungsten hexafluoride 4.56 4.56 7.993606E-15 tungsten trioxide 7.16 7.16 1.065814E-13 L-tyrosine 1.46 1.38572 0.07428041 undecanal 0.825 0.8448008 -0.01980084 1-undecanol 0.8298 0.8548161 -0.02501607 2-undecanol 0.828 0.8253657 0.002634294 2-undecanone 0.829 0.8557349 -0.02673493 10-undecenal 0.845 0.8541779 -0.009177871 8-undecenal 0.845 0.871298 -0.02629791 undecylenic acid 0.9102 0.9391871 -0.02898709 uniconazole 1.28 1.145092 0.1349078 uniconazole-P 1.28 1.204339 0.07566109 uracil 1.32 1.348455 -0.02845461 urea 1.32 1.148069 0.1719314 urea nitrate 1.69 1.691532 -0.001531788 urethane 1.056 1.067024 -0.01102362 uridine 0.99308 0.99308 3.603784E-13 delta-valerolactone 1.079 1.045228 0.03377216 gamma-valerolactone 1.0465 1.078254 -0.03175436 L-Valine 1.316 1.274741 0.04125908 valproic acid 0.905 0.9085097 -0.003509715 vanillin 1.056 1.222418 -0.166418 d-verbenone 0.978 0.9888507 -0.01085073 vernolate 0.954 0.9178492 0.03615073 vinyl acetate 0.934 0.9479991 -0.01399912 vinyl chloride 0.9106 1.068059 -0.1574589 vinylene carbonate 1.355 1.194737 0.1602633 vitamin E [a-tocopherol] 0.95 0.9232904 0.02670963 VX 1.0083 0.971319 0.03698095 water 1 1.050822 -0.05082196 xenon 5.894 5.894 -2.220446E-13 m-xylene 0.868 0.8828045 -0.0148045 o-xylene 0.897 0.895532 0.001468085 p-xylene 0.866 0.8828044 -0.0168044 xylitol 1.52 1.445696 0.0743045 zinc 7.14 7.15238 -0.01238055 zinc phosphate 3.998 3.988517 0.009482552 zinc stearate 1.095 0.9206025 0.1743975 zinc sulfide 4.09 4.09 -1.751488E-12 zirconium 6.52 6.52 -8.109069E-13 ____________________________________________________________________ Molecular weight range used in building the models: 2.01588 - 1451200 All atom types were considered... No included variables in the analysis. Probability cut-off: 0.05 Transformation Index: 1 Property Index: 1 Parms: 0.08988 ; 19.25 ; 2.01588 ; 1451200 ; 0 ; 0 Substituent Model: True ; Amalgamated CH3, OH, NH2, Halogen: True Analysis Complete at: 7:30:51 PM 3/7/2018 ;