StructureID Parent Molecular Weight ampcd_CurveClass ampcd_hillCoefficient Polar Surface Area ALogP ampcd_AC50_uM ampcnd_AC50_uM ampcnd_CurveClass ampcd_DeltaActivity ampcnd_DeltaActivity ampcnd_hillCoefficient pubchem_sid pubchem_link source_compound_name supplier_compound_id supplier_name NCGC00085111-01 382.5 4 66.81 1.73 3.981 -3 15.38 187.4 4.955 7967778 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967778 7967778 DPISMR NCGC00085877-01 448.5 4 110.6 2.25 3.981 -3 18.78 146.3 4.955 7968725 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968725 7968725 DPISMR NCGC00085016-01 400.6 4 65.54 3.09 3.981 -3 18.87 104.2 4.955 7968662 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968662 7968662 DPISMR NCGC00084974-01 343.8 4 68.76 3.8 3.981 -3 10.86 103 4.955 7965021 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965021 7965021 DPISMR NCGC00084557-01 461.6 4 87.23 2.41 3.981 -3 17.41 98.41 4.955 7966715 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966715 7966715 DPISMR NCGC00084888-01 458.5 4 118.6 2.5 3.981 -3 19.75 81.05 4.955 7966369 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966369 7966369 DPISMR NCGC00039837-01 400.5 4 87.8 4.38 19.95 -3 11.13 80.7 4.955 3712773 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712773 3712773 DPISMR NCGC00084573-01 433.6 4 4.095 56.57 5.2 0.7943 3.981 -3 27.04 55.4 4.955 7965560 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965560 7965560 DPISMR NCGC00084600-01 457.6 4 60.82 2.83 3.981 -3 10.52 54.02 4.955 7967166 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967166 7967166 DPISMR NCGC00024723-01 456.7 4 59.8 6.17 19.95 -3 19.79 52.11 4.955 11113637 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113637 Dequalinium dichloride Tocris-0674 Tocris NCGC00029482-01 373.4 4 95.07 2.73 19.95 -3 10.65 43.07 4.955 844322 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=844322 844322 DPISMR NCGC00084845-01 382.9 4 95.16 1.78 3.981 -3 24.2 42.06 4.955 7969299 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969299 7969299 DPISMR NCGC00084493-01 393.5 4 4.955 87.23 0.7 0.631 3.981 -3 23.27 41.59 4.955 7969052 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969052 7969052 DPISMR NCGC00039323-01 411.6 4 79.37 3.05 19.95 -3 17.45 41.11 4.955 3713373 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3713373 3713373 DPISMR NCGC00028598-01 452.5 4 113 2.52 19.95 -3 16.33 40.87 4.955 847862 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=847862 847862 DPISMR NCGC00011450-01 369.4 4 56.27 4.95 19.95 -3 13.5 40.67 4.955 4238921 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4238921 PCOP-491470 Pharmacopeia NCGC00043991-01 342.1 4 52.33 4.05 10 -3 9.575 40.4 4.955 4243501 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243501 4243501 DPISMR NCGC00055263-01 372.4 4 73.59 4.78 19.95 -3 8.239 38.68 4.955 4259231 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4259231 4259231 DPISMR NCGC00012379-01 318.4 4 41.05 4.13 0.7943 -3 9.095 38.41 4.955 4239850 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4239850 PCOP-810272 Pharmacopeia NCGC00029170-01 380.4 4 75.27 2.85 15.85 -3 7.88 37.32 4.955 850143 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=850143 850143 DPISMR NCGC00034157-01 363.4 4 4.955 79.18 1.42 15.85 19.95 -3 42.28 36.45 4.955 853284 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=853284 853284 DPISMR NCGC00037048-01 427.5 4 117.8 2.27 19.95 -3 6.558 35.05 4.955 3716830 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716830 3716830 DPISMR NCGC00031532-01 434.5 4 89.16 3.35 19.95 -3 16.14 34.6 4.955 847298 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=847298 847298 DPISMR NCGC00027793-01 285.3 4 68.02 2.98 19.95 -3 4.346 33.99 4.955 853594 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=853594 853594 DPISMR NCGC00035275-01 224.2 4 70.42 0.92 3.981 -3 8.002 31.61 4.955 849594 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=849594 849594 DPISMR NCGC00035467-01 405.4 4 111.4 2.8 0.3162 -3 4.127 30.91 4.955 848919 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848919 848919 DPISMR NCGC00046897-01 341.4 4 46.92 4.24 19.95 -3 5.396 30.86 4.955 4240592 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240592 4240592 DPISMR NCGC00039865-01 429.5 4 87.54 2.79 19.95 -3 8.082 26.8 4.955 3716213 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716213 3716213 DPISMR NCGC00042524-01 339.4 4 58.68 4.15 10 -3 7.574 37.93 4.504 3713866 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3713866 3713866 DPISMR NCGC00011146-01 369.4 4 56.27 4.95 15.85 -3 13.67 40.42 4.095 4238617 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4238617 PCOP-379792 Pharmacopeia NCGC00016188-01 466.5 4 15.85 -2.4 15.42 45.2 3.99 11112069 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112069 Pentamidine isethionate Lopac-P-0547 SigmaAldrich NCGC00025568-01 394.5 4 83.55 2.34 10 -3 5.64 44.68 3.99 850509 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=850509 850509 DPISMR NCGC00052356-01 351.4 4 52.65 2.78 12.59 -3 9.31 32.92 3.99 4247863 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4247863 4247863 DPISMR NCGC00039486-01 332.8 4 1.539 55.24 4.04 0.0063 15.85 -3 31.03 32.75 3.99 3715886 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715886 3715886 DPISMR NCGC00041092-01 373.9 4 72.7 4.12 15.85 -3 14.02 31.12 3.99 3717360 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717360 3717360 DPISMR NCGC00057841-01 340.5 4 67.77 3.16 12.59 -3 5.186 31.79 3.677 4263868 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263868 4263868 DPISMR NCGC00052925-01 395.4 4 93.57 2.99 15.85 -3 7.994 32.77 3.512 4263716 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263716 4263716 DPISMR NCGC00045911-01 412.5 4 4.955 124.2 2.48 3.981 3.981 -1.4 28.87 28.73 3.512 4245168 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245168 4245168 DPISMR NCGC00040444-01 407.4 4 91.16 3.46 10 -2.2 15.28 25.37 3.247 3716083 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716083 3716083 DPISMR NCGC00024822-01 872.9 -3 2.253 359.4 6.67 25.12 15.85 -2.2 68.87 68.48 3.132 11113736 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113736 Evans blue tetrasodium salt Tocris-0845 Tocris NCGC00071371-01 493.9 4 143.7 3.95 0.1585 -1.4 7.51 35.27 3.132 862223 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=862223 862223 DPISMR NCGC00039381-01 376.4 4 74.31 4.31 15.85 -3 15.69 32.46 3.132 3715495 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715495 3715495 DPISMR NCGC00038133-01 245.3 4 80.52 1.58 0.0631 -1.4 3.749 28.74 3.132 3711429 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3711429 3711429 DPISMR NCGC00025860-01 327.4 4 99.1 2.86 0.0398 -1.4 9.395 36.95 3.065 851690 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=851690 851690 DPISMR NCGC00062652-01 350.2 4 28.68 4.8 10 -3 8.643 36.31 3.065 4255761 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4255761 4255761 DPISMR NCGC00052052-01 394.9 4 60.33 4.5 10 -3 6.87 41.73 2.952 4240764 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240764 4240764 DPISMR NCGC00062059-01 331.4 4 47.03 4.17 15.85 -3 14.26 31.43 2.847 4258029 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4258029 4258029 DPISMR NCGC00037991-01 326.4 4 69.38 3.03 10 -3 5.02 38.82 2.787 3715739 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715739 3715739 DPISMR NCGC00036994-01 458.6 4 110.1 2.49 15.85 -3 18.71 33.94 2.787 3714552 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714552 3714552 DPISMR NCGC00017122-01 517.6 -3 1.1 156.4 -0.24 7.943 7.943 -2.4 46.52 46.92 2.72 11113038 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113038 Piperacillin sodium salt CAS-59703-84-3 Prestwick NCGC00063937-01 350.4 4 76.12 4.15 5.012 -1.4 17.15 22 2.72 857223 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=857223 857223 DPISMR NCGC00075553-01 415.2 4 80.57 4.56 15.85 -3 16.01 30.01 2.533 7975821 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7975821 7975821 DPISMR NCGC00033982-01 419.5 4 79.37 3.37 5.012 -2.2 16.83 37.57 2.333 846635 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=846635 846635 DPISMR NCGC00042444-01 380.5 4 4.955 68.52 4.46 3.981 5.012 -2.2 30.6 29.5 2.333 3717839 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717839 3717839 DPISMR NCGC00053341-01 461.5 4 104.4 5.73 1.259 -1.4 6.195 38.41 2.253 4263956 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263956 4263956 DPISMR NCGC00042527-01 252.7 4 30.21 3.91 10 -2.2 13.82 30.7 2.253 3711335 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3711335 3711335 DPISMR NCGC00050771-01 327.2 4 60.45 3.66 3.981 -1.4 9.569 28.55 2.253 4248802 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4248802 4248802 DPISMR NCGC00056983-01 412.4 4 94.05 4.56 12.59 -3 8.948 37.62 2.188 4259446 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4259446 4259446 DPISMR NCGC00055049-01 468.5 4 103.4 3.02 15.85 -2.2 18.13 27.56 2.188 4259936 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4259936 4259936 DPISMR NCGC00063008-01 327.4 4 67.79 3.46 10 -3 7.31 37.58 2.121 4260382 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4260382 4260382 DPISMR NCGC00032785-01 346.3 4 67.87 3.17 12.59 -3 13.04 34.94 2.121 848645 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848645 848645 DPISMR NCGC00052196-01 302.3 4 67.76 2.59 12.59 -3 18.66 32.99 2.121 4250920 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250920 4250920 DPISMR NCGC00039184-01 480.4 4 123.9 3.16 12.59 -3 4.979 38.24 2.094 3715427 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715427 3715427 DPISMR NCGC00012733-01 336.4 4 1.134 86.8 2.22 10 15.85 -3 22.51 41.43 2.048 4240204 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240204 PCOP-924582 Pharmacopeia NCGC00052131-01 393.4 4 4.955 91.65 4.09 3.981 3.162 -1.4 26.77 35.93 2.048 4241569 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4241569 4241569 DPISMR NCGC00013176-01 392.5 4 60.69 5.69 3.162 -3 14.54 32.4 2.048 4252623 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4252623 NSC-13984 NCI NCGC00039363-01 351.8 4 68.02 4.33 10 -2.2 13.04 36.52 1.967 3717951 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717951 3717951 DPISMR NCGC00064901-01 425.9 4 115.6 4.27 5.012 -2.2 17.33 32.21 1.967 862209 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=862209 862209 DPISMR NCGC00072171-01 400.4 4 97.64 2.7 12.59 -3 6.271 29.08 1.967 4264393 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4264393 4264393 DPISMR NCGC00040482-01 379.5 4 49.25 5.08 7.943 -2.2 3.833 24.26 1.967 3717044 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717044 3717044 DPISMR NCGC00037630-01 402.4 4 3.297 112.2 1.62 12.59 10 -2.2 28.48 41.81 1.885 3712626 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712626 3712626 DPISMR NCGC00050619-01 343.4 4 79.9 2.6 10 -2.2 14.56 34.03 1.885 4245453 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245453 4245453 DPISMR NCGC00040641-01 300.4 4 41.99 4.05 5.012 -2.2 15.99 27.94 1.885 3717952 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717952 3717952 DPISMR NCGC00063198-01 324.4 4 67.35 1.93 7.943 -2.4 8.556 34.58 1.826 863803 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=863803 863803 DPISMR NCGC00074304-01 574.7 4 75.27 7.83 10 -2.2 5.135 32.14 1.826 4266712 UPCMLD04BGHW001102 UPCMLD NCGC00067324-01 372.4 4 104.2 3.69 10 -2.2 15.42 32 1.788 865594 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=865594 865594 DPISMR NCGC00074396-01 369.5 4 29.1 6.57 12.59 -3 3.273 35.26 1.753 4266737 UPCMLD01ACMC001164 UPCMLD NCGC00012962-01 274.3 -3 1.808 52.81 3.23 12.59 12.59 -2.2 70.73 34.49 1.753 4240433 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240433 PCOP-987923 Pharmacopeia NCGC00016480-01 286.2 4 107.2 2.31 5.012 -2.2 14.94 34.45 1.714 11112381 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112381 Kaempferol CAS-520-18-3 Prestwick NCGC00046573-01 422.9 4 82.18 4.81 7.943 -2.2 13.81 24.93 1.66 4247811 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4247811 4247811 DPISMR NCGC00090759-02 298 4 1.134 10 7.943 -2.2 26.35 35.16 1.627 Tocris-2251 Tocris NCGC00090752-02 391.6 4 49.33 6.86 7.943 -2.2 15.98 29.6 1.627 Tocris-1396 Tocris NCGC00037689-01 422.5 4 106.9 3.62 6.31 -2.2 16.35 28.53 1.627 3713824 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3713824 3713824 DPISMR NCGC00051667-01 418.4 4 89.8 4.81 15.85 -2.2 20.05 27.9 1.627 4244317 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244317 4244317 DPISMR NCGC00044059-01 451.3 4 84.48 5.81 6.31 -2.2 6.397 25.75 1.627 4248196 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4248196 4248196 DPISMR NCGC00051721-01 243.3 4 64.92 3.26 5.012 -2.2 13.31 31.67 1.558 4241611 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4241611 4241611 DPISMR NCGC00046494-01 398.9 4 106.9 1.67 12.59 -3 25.72 31.75 1.539 4247673 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4247673 4247673 DPISMR NCGC00073961-01 327.4 -2.1 0.6 99.08 2.23 2.512 2.512 -1.1 100.7 86.64 1.479 862583 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=862583 862583 DPISMR NCGC00025055-01 225.1 -2.4 0.9 35.25 0.77 15.85 5.012 -2.2 49.83 39.57 1.478 11113973 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113973 2APB Tocris-1224 Tocris NCGC00017137-01 549.6 -2.2 1.248 188.4 -0.5 3.981 2.512 -1.2 75.33 71.47 1.464 11113053 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113053 Ceftazidime pentahydrate CAS-78439-06-2 Prestwick NCGC00067500-01 437.6 -3 1.288 111.4 4.27 7.943 10 -2.2 81.15 32.4 1.464 863128 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=863128 863128 DPISMR NCGC00045919-01 378.4 4 4.955 114.9 2.05 3.981 10 -2.2 36.37 28.08 1.464 4249388 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4249388 4249388 DPISMR NCGC00045065-01 309.2 4 52.57 3.95 15.85 -2.2 12.16 23.87 1.464 4250288 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250288 4250288 DPISMR NCGC00092003-01 327.3 -3 1.594 126.8 1.95 12.59 12.59 -2.2 45.73 57.15 1.416 UCSF-04 UCSF NCGC00092001-01 366.4 4 1.808 92.7 3.24 12.59 12.59 -2.2 39.73 51.73 1.416 UCSF-02 UCSF NCGC00063359-01 389.4 4 98.31 3.54 10 -3 8.561 40.61 1.416 860978 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=860978 860978 DPISMR NCGC00024686-01 336.4 4 93.35 3.14 0.1585 -1.4 15.56 39.72 1.416 11113600 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113600 Tyrphostin B56 Tocris-0616 Tocris NCGC00054739-01 377.2 4 52.31 4.09 3.981 -2.2 5.905 31.01 1.416 4260586 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4260586 4260586 DPISMR NCGC00055676-01 324.3 4 1.111 84.48 3.99 10 12.59 -3 35.06 41.78 1.344 4264520 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4264520 4264520 DPISMR NCGC00026048-01 412.4 4 97.59 2.18 12.59 -2.4 12.04 38.11 1.331 843719 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=843719 843719 DPISMR NCGC00092000-01 317.8 4 4.955 89.46 2.9 19.95 12.59 -2.4 26.04 32.02 1.331 UCSF-01 UCSF NCGC00056929-01 346.8 4 77.5 4.37 12.59 -2.2 5.713 31.31 1.331 4256910 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4256910 4256910 DPISMR NCGC00014269-01 315.7 4 84.48 2.44 2.512 -2.2 18.42 30.68 1.331 4253716 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4253716 NSC-124808 NCI NCGC00055896-01 435.5 4 82.86 4.44 3.162 -2.2 10.17 27.44 1.331 4255136 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4255136 4255136 DPISMR NCGC00063840-01 455.5 4 84.14 4.98 12.59 -2.2 16.21 31.92 1.288 861327 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=861327 861327 DPISMR NCGC00046062-01 369.5 4 63.47 3.52 12.59 -2.2 5.413 35.85 1.222 4242735 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242735 4242735 DPISMR NCGC00042454-01 484.5 4 4.955 106.9 4.57 0.0316 10 -2.2 33.31 34.52 1.222 3714619 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714619 3714619 DPISMR NCGC00038555-01 427.5 4 79.37 3.99 12.59 -2.2 3.281 27.39 1.222 3711683 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3711683 3711683 DPISMR NCGC00016914-01 575.6 -2.2 1 219.9 -1.4 1.995 1.585 -1.2 93.09 73.29 1.21 11112829 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112829 Cefotetan CAS-69712-56-7 Prestwick NCGC00063263-01 422.6 -3 4.045 67.79 3.54 10 10 -2.2 52.52 64.43 1.21 862931 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=862931 862931 DPISMR NCGC00015889-02 473.6 4 70 6.08 5.012 -2.2 14.8 56.09 1.21 11111734 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11111734 Raloxifene hydrochloride CAS-82640-04-8 Prestwick NCGC00043728-01 422.3 -3 4.955 104.3 2.68 15.85 12.59 -2.2 44.85 47.3 1.21 4248525 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4248525 4248525 DPISMR NCGC00063774-01 464.5 4 109.3 3.84 3.162 -2.2 12.94 37.88 1.21 862754 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=862754 862754 DPISMR NCGC00052219-01 341.4 4 4.955 48.42 4.34 3.981 3.981 -2.2 29.66 34.24 1.21 4244405 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244405 4244405 DPISMR NCGC00040469-01 446.9 4 120.3 2.53 12.59 -2.2 12.53 31.88 1.21 3714732 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714732 3714732 DPISMR NCGC00035744-01 426.5 4 126.7 3.02 10 -2.2 13.94 31.12 1.21 844024 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=844024 844024 DPISMR NCGC00016334-01 270.4 4 40.46 4.79 3.162 -2.2 21.79 29.89 1.21 11112224 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112224 Hexestrol CAS-84-16-2 Prestwick NCGC00067511-01 425.5 -2.2 1 137.7 1.82 3.981 3.981 -2.1 87.94 83.44 1.134 864288 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=864288 864288 DPISMR NCGC00038265-01 422.5 4 114.2 3.51 5.012 -2.2 6.194 30.57 1.111 3716853 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716853 3716853 DPISMR NCGC00015706-01 168.2 4 73.13 1.22 12.59 -2.2 19.14 48.2 1.1 11111500 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11111500 "Me-3,4-dephostatin" Lopac-M-9440 SigmaAldrich NCGC00034674-01 231.2 4 69.56 1.93 7.943 -2.2 7.964 47.38 1.1 851514 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=851514 851514 DPISMR NCGC00060583-01 362.4 4 88.41 3.07 10 -2.2 20.49 35.28 1.1 4259225 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4259225 4259225 DPISMR NCGC00047000-01 371.2 4 55.13 4.6 12.59 -2.2 14.89 32.51 1.1 4252143 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4252143 4252143 DPISMR NCGC00048898-01 414.5 4 84.94 2.95 15.85 -2.2 16.35 32.01 1.1 4250963 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250963 4250963 DPISMR NCGC00051525-01 381.9 4 84.23 3.66 10 -2.2 10.21 31.31 1.1 3716901 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716901 3716901 DPISMR NCGC00078127-01 447.3 4 83.1 5.49 12.59 -2.2 12.18 30.97 1.1 7975424 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7975424 7975424 DPISMR NCGC00042622-01 305.7 4 56.79 3.33 15.85 -2.2 18.98 29.8 1.1 3716696 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716696 3716696 DPISMR NCGC00016133-01 457.5 -1.2 1.1 173.5 -1.16 3.162 1.995 -1.1 79.8 86.42 1 11112012 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112012 Cefotaxime sodium Lopac-C-7912 SigmaAldrich NCGC00092016-01 152 -3 1.594 49.69 -0.63 12.59 10 -2.2 52.87 62.85 1 UCSF-18 UCSF NCGC00053708-01 316.4 4 4.955 52.89 4.51 19.95 7.943 -2.2 22.79 55.68 1 4256776 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4256776 4256776 DPISMR NCGC00014213-01 370.4 4 124.3 3.04 1 -3 24.41 53.43 1 4253660 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4253660 NSC-119910 NCI NCGC00044743-01 341.4 4 75.63 3.71 5.012 -2.2 28.11 47.11 1 4249621 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4249621 4249621 DPISMR NCGC00016645-01 442.4 4 1.331 181.6 -0.44 6.31 1 -1.2 33.16 36.32 1 11112552 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112552 Methacycline hydrochloride CAS-3963-95-9 Prestwick NCGC00076254-01 285.4 4 52.49 5.09 10 -2.2 11.72 34.42 1 7977295 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7977295 7977295 DPISMR NCGC00053115-01 285.3 4 88.77 1.6 6.31 -2.2 7.747 30.96 1 4255191 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4255191 4255191 DPISMR NCGC00016132-01 471.5 4 163.3 -0.73 15.85 -2.4 23.56 37.69 0.9 11112011 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112011 Cefmetazole sodium Lopac-C-6048 SigmaAldrich NCGC00038138-01 386.4 4 89.61 3.77 5.012 -2.2 7.336 31.74 0.9 3714079 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714079 3714079 DPISMR NCGC00039070-01 475.5 4 125.3 3.12 15.85 -2.2 16.22 29.31 0.9 3715542 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715542 3715542 DPISMR NCGC00027410-01 481.6 4 78 2.9 19.95 -2.4 10.77 27.68 0.9 852793 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=852793 852793 DPISMR NCGC00072281-01 449.3 4 88.41 4.71 15.85 -2.4 14.19 27.51 0.9 4265252 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4265252 4265252 DPISMR NCGC00066722-01 404.3 4 60.06 4.54 12.59 -2.2 14.91 24.31 0.9 4247113 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4247113 4247113 DPISMR NCGC00014964-01 376.3 4 113 1.97 1.995 -2.2 18.15 30.76 0.8 4254411 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4254411 NSC-657704 NCI NCGC00045549-01 474.5 4 99.66 3.07 6.31 -2.2 6.606 28.87 0.8 4250570 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250570 4250570 DPISMR NCGC00045637-01 351.4 4 47.04 4.38 10 -2.2 9.389 27.88 0.8 4243994 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243994 4243994 DPISMR NCGC00049719-01 394.5 4 84.94 2.52 1.585 -2.2 19.18 27.76 0.8 4243446 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243446 4243446 DPISMR NCGC00066215-01 435.6 4 85.48 6.13 10 -2.2 9.721 26.94 0.8 856624 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=856624 856624 DPISMR NCGC00025307-01 506.6 -3 1.967 106.2 7.01 19.95 6.31 -2.2 46.44 58.81 0.7 11114228 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11114228 Demethylasterriquinone B1 Tocris-1819 Tocris NCGC00038206-01 350.8 4 51.22 4.54 6.31 -2.2 7.037 36 0.7 3716102 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716102 3716102 DPISMR NCGC00016169-01 296.2 4 49.33 4.74 15.85 -2.2 15.92 35.59 0.7 11112050 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112050 Meclofenamic acid sodium Lopac-M-4531 SigmaAldrich NCGC00073817-01 216.3 4 28.26 2.16 6.31 -2.2 6.833 33.51 0.7 4245415 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245415 4245415 DPISMR NCGC00032735-01 325.2 4 55.24 3.71 2.512 -2.2 16.08 32.91 0.7 847976 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=847976 847976 DPISMR NCGC00067728-01 382.4 4 93.67 4.54 3.981 -2.2 13.74 24.45 0.7 862336 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=862336 862336 DPISMR NCGC00031409-01 314.7 4 69.64 2.83 10 -2.2 18.78 31.48 0.6 842230 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=842230 842230 DPISMR NCGC00046626-01 260.3 4 35.53 3.37 3.981 -2.2 24.83 37.9 0.5 4249130 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4249130 4249130 DPISMR NCGC00061287-01 487.6 4 103.8 5.18 5.012 -3 14.24 37.79 0.5 4262910 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4262910 4262910 DPISMR NCGC00038534-01 223.3 4 40.71 3.17 5.012 -2.2 18.41 35.28 0.5 3711216 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3711216 3711216 DPISMR NCGC00067353-01 418.5 4 104 3.95 2.512 -2.2 19.82 32.82 0.5 865396 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=865396 865396 DPISMR NCGC00034651-01 340.4 4 87.72 3.73 6.31 -2.2 8.459 28.89 0.4 852391 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=852391 852391 DPISMR NCGC00014689-01 639.4 4 42.52 9.1 0.3162 -2.4 19.11 35.84 0.3 4254136 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4254136 NSC-306698 NCI NCGC00071616-01 374.2 4 60.92 4.09 3.981 -2.4 7.927 29.23 0.3 861306 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=861306 861306 DPISMR NCGC00038588-01 240.3 4 24.39 4.03 -3 5.787 31.07 3713522 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3713522 3713522 DPISMR NCGC00010536-01 366.4 4 70.83 4.79 -3 13.7 30.51 4238007 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4238007 PCOP-177512 Pharmacopeia NCGC00010150-01 292.4 4 15.27 3.93 12.59 3 3.882 98.69 1.594 4237621 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4237621 PCOP-50287 Pharmacopeia NCGC00010355-01 337.4 4 45.67 3.57 0.0794 4 32.02 78.51 4.955 4237826 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4237826 PCOP-115552 Pharmacopeia NCGC00010504-01 428.5 4 23.55 5.54 4 7.078 17.57 4237975 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4237975 PCOP-163657 Pharmacopeia NCGC00011248-01 289.4 4 45.67 2.53 6.31 4 21.21 60.12 1 4238719 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4238719 PCOP-413084 Pharmacopeia NCGC00011955-01 343.4 4 70.92 1.8 1.995 4 14.76 23.21 0.9 4239426 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4239426 PCOP-670206 Pharmacopeia NCGC00012114-01 390.4 4 102.2 2.51 19.95 4 5.552 49.53 4.955 4239585 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4239585 PCOP-723467 Pharmacopeia NCGC00015741-01 302.4 4 80.92 3.57 1 4 13.39 33.73 3.132 11111540 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11111540 Nordihydroguaiaretic acid from Larrea divaricata (creosote bush) Lopac-N-5023 SigmaAldrich NCGC00016843-01 388.3 4 221.5 -4.8 8.00E-04 4 18.15 55.33 0.8 11112756 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112756 Imidurea CAS-39236-46-9 Prestwick NCGC00016956-01 807.1 4 199.9 -2.02 4 10.06 22.47 11112872 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112872 Ioversol CAS-87771-40-2 Prestwick NCGC00017339-01 208.2 4 106.4 0.25 25.12 4 30.39 32.7 3.132 11113257 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113257 TNP00279 Timtec NCGC00025670-01 344.4 4 83.55 1.16 0.0398 4 10.86 21.07 0.4 849920 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=849920 849920 DPISMR NCGC00025984-01 277.3 4 68.02 2.19 5.012 4 10.08 40.99 0.7 853664 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=853664 853664 DPISMR NCGC00026112-01 262.3 4 44.29 4.08 4 7.263 19.77 853557 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=853557 853557 DPISMR NCGC00026243-01 499.6 2.4 0.6 153.8 3.37 10 1 4 25.21 39.45 4.045 850341 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=850341 850341 DPISMR NCGC00026481-01 348.4 4 45.81 4.86 12.59 4 19.06 34.93 1.594 850454 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=850454 850454 DPISMR NCGC00026700-01 309.3 4 63.68 3.05 0.02 4 5.977 27.44 3.677 848100 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848100 848100 DPISMR NCGC00026824-02 275.4 4 42.15 3.82 0.0631 4 15.85 76.36 3.132 7965897 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965897 7965897 DPISMR NCGC00026987-01 367.5 4 68.02 4.58 0.0025 4 6.189 25.43 4.955 844906 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=844906 844906 DPISMR NCGC00027032-01 384.4 4 64.8 4.24 12.59 3 6.134 57.21 1.449 846624 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=846624 846624 DPISMR NCGC00027041-01 489.6 4 117 1.66 4 5.872 14.48 848453 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848453 848453 DPISMR NCGC00027967-01 285.3 -2.2 3.065 89.98 1 3.981 3.981 -2.2 40.99 75.78 2.333 852598 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=852598 852598 DPISMR NCGC00028140-01 235.3 4 68.02 2.15 3.981 2.2 5.223 60.39 2.72 847818 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=847818 847818 DPISMR NCGC00028141-01 417.9 4 91.65 3.14 12.59 4 6.044 36.37 1.594 852891 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=852891 852891 DPISMR NCGC00028232-01 364.4 4 130.3 0.83 0.3162 4 5.393 24.54 4.955 846333 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=846333 846333 DPISMR NCGC00029174-01 439.5 4 98.58 1.72 10 3 2.778 49.07 1.248 848445 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848445 848445 DPISMR NCGC00029268-01 324.4 4 88.36 1.33 0.01 4 3.05 32.9 0.3 846947 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=846947 846947 DPISMR NCGC00029588-01 445.3 4 82.89 3.74 10 2.2 8.819 70.6 1.171 848610 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848610 848610 DPISMR NCGC00030057-01 366.4 4 81.75 3.1 10 3 5.545 59.71 1.478 843495 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=843495 843495 DPISMR NCGC00030063-01 377.4 4 97.39 3.06 15.85 4 11.42 30.86 2.121 848024 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848024 848024 DPISMR NCGC00030218-01 264.4 4 57.26 0.74 4 7.551 20.28 850937 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=850937 850937 DPISMR NCGC00030347-01 327.7 4 66.4 3.12 4 16.38 22.28 844853 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=844853 844853 DPISMR NCGC00031129-01 293.3 4 88.49 0.82 5.012 4 13.96 31.78 0.7 845809 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=845809 845809 DPISMR NCGC00031142-01 342.4 4 91.68 2.35 0.0631 4 15.72 26.13 4.504 851703 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=851703 851703 DPISMR NCGC00031549-01 313.3 4 68.54 3.81 12.59 4 13.35 27.74 2.72 848376 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848376 848376 DPISMR NCGC00031898-01 325.4 4 81.41 2.27 10 4 4.778 29.57 1.858 844707 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=844707 844707 DPISMR NCGC00032474-01 326.3 4 82.45 2.64 0.0251 4 7.05 26.17 4.955 844511 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=844511 844511 DPISMR NCGC00032545-01 416.3 4 51.91 4.91 10 2.1 11.66 109.6 1.478 851949 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=851949 851949 DPISMR NCGC00032556-01 457 4 91.4 3.93 10 3 12.48 66.45 2.847 848587 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848587 848587 DPISMR NCGC00032737-01 247.2 4 82.53 2.15 0.7943 4 11.41 24.29 0.9 847194 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=847194 847194 DPISMR NCGC00033089-01 337.4 4 74.3 1.74 0.0079 4 9.459 32.28 0.9 842344 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=842344 842344 DPISMR NCGC00033105-01 293.3 4 81.7 2.24 0.1 4 6.699 20.55 4.955 848854 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=848854 848854 DPISMR NCGC00033936-01 448 4 92.83 4.33 1.585 4 9.196 20.16 0.7 849493 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=849493 849493 DPISMR NCGC00034363-01 435.6 4 72.7 4.83 1.259 4 7.507 76.66 2.406 849591 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=849591 849591 DPISMR NCGC00034670-01 316.3 4 81.44 2.49 10 4 6.163 32.11 3.247 847222 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=847222 847222 DPISMR NCGC00034714-01 394.5 4 91 3.74 5.012 2.2 7.037 83.36 0.7 853672 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=853672 853672 DPISMR NCGC00034726-01 371.5 4 88.08 2.34 0.0063 4 4.025 29.22 1.222 843986 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=843986 843986 DPISMR NCGC00034737-01 437.5 4 103.9 0.89 4 11.24 18.27 852474 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=852474 852474 DPISMR NCGC00034885-01 332.4 4 83.9 2.05 15.85 3 8.656 54.23 4.955 843388 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=843388 843388 DPISMR NCGC00034924-01 298.3 4 77.52 1.72 4 11.58 14.62 849511 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=849511 849511 DPISMR NCGC00034996-01 190.2 4 55.24 1.65 10 4 6.166 26.48 2.353 852308 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=852308 852308 DPISMR NCGC00035770-01 426.5 4 107.9 1.91 4 11.97 20.53 845615 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=845615 845615 DPISMR NCGC00036038-01 398.8 4 103.2 3.48 1.585 4 12.4 37.49 0.4 844303 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=844303 844303 DPISMR NCGC00036230-01 382.4 4 101.8 2.26 3.981 4 8.299 22.35 2.72 843754 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=843754 843754 DPISMR NCGC00036553-01 383.5 4 93.53 3.48 3.981 4 6.061 27.39 4.045 3717225 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717225 3717225 DPISMR NCGC00036572-01 375.5 4 63.05 4.55 4 5.029 20.83 3715476 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715476 3715476 DPISMR NCGC00037022-01 388.4 4 123.9 0.45 4 12.69 19.75 3715919 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715919 3715919 DPISMR NCGC00037191-01 240.3 4 39.44 3.6 1.995 4 10.99 29.44 1.714 3714562 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714562 3714562 DPISMR NCGC00037442-01 405.5 4 102.2 1.84 4 8.59 20.59 3716390 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716390 3716390 DPISMR NCGC00037778-01 381.4 4 91.68 2.3 19.95 4 21.29 29.78 4.955 3712258 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712258 3712258 DPISMR NCGC00037879-01 260.3 4 52.19 1.44 4 10.99 11.05 3711915 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3711915 3711915 DPISMR NCGC00037903-01 430.5 4 77.33 2.56 12.59 3 8.02 68.13 1.858 3711132 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3711132 3711132 DPISMR NCGC00038173-01 310.4 4 72.19 2.72 1 4 11.66 32.59 0.5 3714201 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714201 3714201 DPISMR NCGC00038174-01 388.5 4 61.42 4.07 1.995 4 7.095 40.94 0.5 3711474 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3711474 3711474 DPISMR NCGC00038657-01 296.3 4 68.73 0.82 4 6.384 15.81 3712624 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712624 3712624 DPISMR NCGC00038949-01 238.2 4 89.9 1.24 4 9.582 18.21 3712581 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712581 3712581 DPISMR NCGC00039409-01 369.5 4 59 2.77 7.943 2.2 6.237 76.94 2.333 3712946 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712946 3712946 DPISMR NCGC00039500-01 269.3 4 93.76 1.62 4 12.48 33.56 3712917 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712917 3712917 DPISMR NCGC00039864-01 362.8 4 64.36 4.53 4 9.115 48.29 3716525 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716525 3716525 DPISMR NCGC00039890-01 296.8 4 67.43 2.49 3.162 4 11.95 28.87 0.7 3716905 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3716905 3716905 DPISMR NCGC00040046-01 259.3 4 80.52 1.97 10 4 8.975 21.24 2.847 3713573 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3713573 3713573 DPISMR NCGC00040244-01 355.3 4 109.4 1.07 7.943 4 8.518 38.84 3.065 3717967 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717967 3717967 DPISMR NCGC00040604-01 171.2 4 41.61 1.95 4 3.954 28.07 3713827 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3713827 3713827 DPISMR NCGC00040682-01 421.5 4 79.37 3.71 0.0063 4 7.001 45.73 0.9 3713553 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3713553 3713553 DPISMR NCGC00040845-01 405.5 4 74.91 3.97 10 4 5.797 26.48 2.406 3714788 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714788 3714788 DPISMR NCGC00041082-01 488.6 4 111.2 2.37 5.012 2.2 7.998 55.95 0.9 3717688 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717688 3717688 DPISMR NCGC00041345-01 364.4 4 113.2 1.82 4 5.785 10.26 3717609 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717609 3717609 DPISMR NCGC00041355-01 390.5 4 3.929 93.73 2.02 3.981 12.59 4 20.37 32.45 2.094 3712441 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712441 3712441 DPISMR NCGC00041441-01 456.5 4 91.64 3.75 3.981 4 9.147 34.13 1.788 3715601 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715601 3715601 DPISMR NCGC00041507-01 332.4 4 88.32 1.78 4 10.97 19.29 3714032 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714032 3714032 DPISMR NCGC00041511-01 423.3 4 99.25 3.64 7.943 4 3.708 43.23 1.967 3712254 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3712254 3712254 DPISMR NCGC00041806-01 404.5 4 87.8 3.76 4 9.301 17.19 3714758 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714758 3714758 DPISMR NCGC00041840-01 347.4 4 84.23 3.01 12.59 4 6.565 22.14 1.1 3717978 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3717978 3717978 DPISMR NCGC00042819-01 370.9 2.2 3.512 57.69 2.75 3.981 10 2.2 22.64 56.84 1.064 4250691 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250691 4250691 DPISMR NCGC00042861-01 436.5 4 79.62 3.39 4 9.889 19.68 4245205 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245205 4245205 DPISMR NCGC00042869-01 378.5 4 66.48 2.64 0.0316 4 13.6 25.29 4.449 4251850 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4251850 4251850 DPISMR NCGC00042877-01 424.4 4 103.8 2.7 4 10.25 12.31 4245027 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245027 4245027 DPISMR NCGC00042885-01 498.6 4 90.03 2.52 10 2.1 10.07 149.6 1.753 4246911 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4246911 4246911 DPISMR NCGC00042893-01 316.4 2.2 4.095 86.11 2.22 10 4 23.61 23.03 4243815 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243815 4243815 DPISMR NCGC00042909-01 366.5 4 4.955 83.55 1.43 0.0032 4 29.12 36.75 4243475 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243475 4243475 DPISMR NCGC00042965-01 323.5 4 58.36 2.64 4 8.476 8.643 4251195 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4251195 4251195 DPISMR NCGC00042994-01 287.4 4 84.03 2.04 4 12.44 17.95 4242671 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242671 4242671 DPISMR NCGC00042996-01 289.3 4 92.7 2.2 15.85 4 8.245 26.79 2.902 4241421 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4241421 4241421 DPISMR NCGC00043045-01 408.5 4 56.75 2.87 12.59 2.1 10.61 133.9 1.416 4252131 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4252131 4252131 DPISMR NCGC00043556-01 255.3 4 48.3 2.51 4 6.2 18.86 4240568 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240568 4240568 DPISMR NCGC00043580-01 309.3 4 108.5 1.45 0.0025 4 11.8 31.28 4.955 4250575 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250575 4250575 DPISMR NCGC00043588-01 349.8 4 60.17 4.36 4 12.03 21.93 4244974 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244974 4244974 DPISMR NCGC00043596-01 274.3 4 24.39 4 4 17.02 12.2 4252253 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4252253 4252253 DPISMR NCGC00043604-01 276.3 4 56.51 1.95 10 3 16.37 48.69 4.045 4245190 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245190 4245190 DPISMR NCGC00043944-01 268.3 4 59.06 2.56 6.31 4 7.321 22.14 1.967 4250951 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250951 4250951 DPISMR NCGC00044752-01 231.3 4 39.39 3.24 4 4.692 13.28 4245513 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245513 4245513 DPISMR NCGC00044793-01 473.5 4 114 2.31 4 12.25 20 4244120 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244120 4244120 DPISMR NCGC00045186-01 265.3 4 57.78 3.13 4 4.589 17.24 4246971 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4246971 4246971 DPISMR NCGC00045240-01 300.4 4 45.59 3.63 4 7.647 28.46 4251858 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4251858 4251858 DPISMR NCGC00045248-01 444.8 4 107.9 3.16 15.85 4 9.05 38.23 4.095 4244729 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244729 4244729 DPISMR NCGC00045264-01 227.3 4 32.26 3.62 0.0158 4 18.67 25.31 4.955 4241022 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4241022 4241022 DPISMR NCGC00045645-01 396.5 4 101.6 1.32 4 7.559 21.6 4249610 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4249610 4249610 DPISMR NCGC00046180-01 386.4 4 114.2 3.05 4 7.288 15.69 4249618 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4249618 4249618 DPISMR NCGC00046188-01 300.4 4 87.87 3.28 4 11.76 7.184 4240660 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240660 4240660 DPISMR NCGC00046204-01 441.5 4 53.74 2.79 10 3 15.62 70.1 1.692 4246255 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4246255 4246255 DPISMR NCGC00046212-01 496.9 4 77.21 4.52 3.981 2.1 13.88 152.3 1.111 4252050 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4252050 4252050 DPISMR NCGC00046261-01 263.3 4 73.74 0.6 19.95 4 8.546 22.49 4.955 4244335 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244335 4244335 DPISMR NCGC00046499-01 499.6 4 104.4 5.36 4 5.963 15.38 4245047 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245047 4245047 DPISMR NCGC00046643-01 264.3 2.2 2.902 69.12 3.11 2.512 4 24.31 21.13 4247506 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4247506 4247506 DPISMR NCGC00046651-01 312.3 2.2 4.449 93.73 1.83 3.981 4 21.23 10.09 4241299 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4241299 4241299 DPISMR NCGC00046659-01 340.3 4 82.06 3.08 5.012 4 17.66 28.17 1.248 4243054 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243054 4243054 DPISMR NCGC00046795-01 330.3 4 108.6 2.37 4 5.265 11.33 4242450 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242450 4242450 DPISMR NCGC00047271-01 231.3 4 20.31 3.18 4 14.67 1.875 4251189 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4251189 4251189 DPISMR NCGC00047362-01 334.3 4 92.34 0.84 4 5.175 19.09 4245632 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245632 4245632 DPISMR NCGC00047370-01 350.8 4 92.34 1.36 4 18.16 11.9 4244908 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244908 4244908 DPISMR NCGC00047394-01 270.4 4 34.03 3.26 4 16.08 19.71 4245981 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245981 4245981 DPISMR NCGC00047452-01 430.3 4 77.25 4.07 5.012 2.2 13.17 76.98 1.1 4251710 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4251710 4251710 DPISMR NCGC00047714-01 414.5 4 97.12 2.59 4 6.321 15.62 4243452 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243452 4243452 DPISMR NCGC00047738-01 364.4 4 101.5 2.09 4 5.612 8.381 4252227 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4252227 4252227 DPISMR NCGC00047746-01 418.4 4 128.7 2.34 4 7.071 10.36 4245099 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245099 4245099 DPISMR NCGC00047754-01 361.4 4 105.1 0.5 19.95 4 8.564 22.68 4.955 4251503 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4251503 4251503 DPISMR NCGC00048322-01 419.6 4 60.93 3.01 10 2.2 11.81 83.47 1.478 4242411 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242411 4242411 DPISMR NCGC00048338-01 352.4 4 67.87 2.71 12.59 4 10.41 32.99 1.808 4242363 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242363 4242363 DPISMR NCGC00048346-01 370.4 4 77.1 2.56 10 4 12.6 34.49 1.862 4243707 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243707 4243707 DPISMR NCGC00048354-01 378.4 4 67.87 3.96 7.943 4 16.19 36.11 2.406 4249395 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4249395 4249395 DPISMR NCGC00048364-01 332.8 4 92.34 1.22 4 20.64 19.96 4250304 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250304 4250304 DPISMR NCGC00048367-01 369.4 4 66.02 3.73 4 17.48 18.88 4242179 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242179 4242179 DPISMR NCGC00048426-01 427.3 4 95.16 2.52 19.95 4 11.74 25.76 4.955 4247609 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4247609 4247609 DPISMR NCGC00048442-01 286.3 4 74.66 1 4 12.37 5.61 4252126 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4252126 4252126 DPISMR NCGC00048722-01 449.4 4 66.48 3.29 4 7.166 11.39 4250759 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250759 4250759 DPISMR NCGC00048905-01 350.4 2.2 2.406 80.91 3.92 3.981 12.59 -2.2 24.69 33.59 1.1 4243831 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243831 4243831 DPISMR NCGC00049057-01 285.3 4 75.63 2.88 12.59 4 11.53 34.67 2.094 4249798 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4249798 4249798 DPISMR NCGC00049649-01 473.5 4 80.23 4.27 12.59 3 13.63 47.7 2.094 4244750 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244750 4244750 DPISMR NCGC00049665-01 348.4 4 72.35 2.89 10 3 17.27 84.17 3.247 4247809 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4247809 4247809 DPISMR NCGC00049673-01 434.5 4 81.75 2.65 10 2.1 25.13 117.1 1.134 4241410 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4241410 4241410 DPISMR NCGC00049913-01 397.5 4 68.25 1.32 4 6.557 14.4 4242227 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242227 4242227 DPISMR NCGC00050206-01 388.4 4 41.37 3.4 1.585 4 6.566 26.38 1.885 4245175 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245175 4245175 DPISMR NCGC00050470-01 337.3 1.4 0.4 50.95 4.51 0.0126 0.5012 4 20.8 22.42 4.955 4246529 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4246529 4246529 DPISMR NCGC00050555-01 417.5 2.2 3.247 87.45 2.03 3.162 12.59 3 22.05 56.13 4.095 4249381 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4249381 4249381 DPISMR NCGC00050602-01 271.4 4 46.4 2.19 0.004 4 6.549 26.86 4.955 4250749 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250749 4250749 DPISMR NCGC00051041-01 296.3 4 109.5 1.79 0.0316 4 7.883 24.81 1.464 4243480 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243480 4243480 DPISMR NCGC00051049-01 376.4 4 101.1 1.59 4 3.506 19.79 4240654 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240654 4240654 DPISMR NCGC00051057-01 265.3 4 57.61 1.78 4 13.68 15.39 4247250 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4247250 4247250 DPISMR NCGC00051073-01 354.4 4 104.2 1.65 4 12.96 13.35 4248638 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4248638 4248638 DPISMR NCGC00051409-01 331.4 4 64.86 2 4 8.433 19.31 4243999 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4243999 4243999 DPISMR NCGC00051425-01 256.3 4 67.77 2.34 4 8.783 12.1 4244713 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244713 4244713 DPISMR NCGC00051441-01 349.3 4 60.18 4.38 4 11.33 16.63 4246494 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4246494 4246494 DPISMR NCGC00051896-01 402.5 4 47.61 3.88 4 6.783 29.46 4248728 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4248728 4248728 DPISMR NCGC00052959-01 333.2 4 41.57 1.96 4 5.538 17.96 4256471 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4256471 4256471 DPISMR NCGC00053157-01 346.4 4 66.92 1.6 12.59 4 8.532 37.63 4.504 4257018 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4257018 4257018 DPISMR NCGC00053201-01 283.3 4 59.16 3.02 10 4 12.49 25.28 1.714 4262411 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4262411 4262411 DPISMR NCGC00053307-01 306.4 4 47.18 3.99 4 9.104 23.39 4263442 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263442 4263442 DPISMR NCGC00053308-01 321.1 4 65.85 2.17 4 8.468 13.02 4259812 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4259812 4259812 DPISMR NCGC00053309-01 456.6 4 92.78 3.64 4 9.694 15.12 4257367 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4257367 4257367 DPISMR NCGC00053882-01 302.3 4 76.66 2.05 4 6.155 17.71 4263367 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263367 4263367 DPISMR NCGC00053992-01 283.4 4 52.47 4.28 0.3981 4 9.713 27.81 4.095 4254921 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4254921 4254921 DPISMR NCGC00055051-01 450.4 4 145.9 3.66 4 7.141 12.96 4265304 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4265304 4265304 DPISMR NCGC00055268-01 301.3 4 74.08 1.48 4 12.16 16.85 4256285 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4256285 4256285 DPISMR NCGC00055290-01 200.2 4 67.77 1.12 4 9.311 12.67 4263435 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263435 4263435 DPISMR NCGC00055420-01 334.4 4 78.24 2.22 4 22.12 19.48 4261237 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4261237 4261237 DPISMR NCGC00055421-01 330.8 4 58.64 3.01 4 19.32 18.82 4263354 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263354 4263354 DPISMR NCGC00056466-01 295.4 4 55.84 1.75 1.585 4 12.81 25.31 4.955 4254601 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4254601 4254601 DPISMR NCGC00056472-01 384.8 4 80.57 3.88 4 7.798 13.63 4254580 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4254580 4254580 DPISMR NCGC00056631-01 322.7 4 66.03 4.72 15.85 4 6.801 24.43 1.66 4265437 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4265437 4265437 DPISMR NCGC00056823-01 311.3 4 72.28 2.65 4 7.175 15.36 4265038 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4265038 4265038 DPISMR NCGC00057874-01 442.5 4 86.11 4 10 2.2 6.973 90.02 1.222 4258160 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4258160 4258160 DPISMR NCGC00057877-01 422.3 4 90.7 2.13 7.943 4 7.461 38.6 2.406 4261597 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4261597 4261597 DPISMR NCGC00057885-01 356.4 4 98.9 3.52 4 13.93 13.03 4262704 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4262704 4262704 DPISMR NCGC00058104-01 303.8 4 55.4 2.96 19.95 4 9.495 23.09 4.955 4260654 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4260654 4260654 DPISMR NCGC00058233-01 287.3 4 47.56 2.99 4 6.975 17.78 4260336 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4260336 4260336 DPISMR NCGC00059488-01 387.4 4 87.3 3.65 0.2512 4 12.5 25.32 0.7 4262035 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4262035 4262035 DPISMR NCGC00059635-01 489.6 4 97.41 2.13 6.31 2.1 5.515 118 1.344 4263505 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263505 4263505 DPISMR NCGC00059642-01 351.4 4 35.91 4.39 4 10.28 17.18 4254546 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4254546 4254546 DPISMR NCGC00060916-01 251.7 4 51.47 3.19 4 7.023 13.56 4258842 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4258842 4258842 DPISMR NCGC00062455-01 349.4 4 90.41 1.9 19.95 4 20.5 22.06 4.955 4258560 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4258560 4258560 DPISMR NCGC00063026-01 392.4 4 98.73 3.26 4 9.832 6.874 4258684 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4258684 4258684 DPISMR NCGC00063136-01 353.4 4 78.95 0.74 19.95 4 11.19 20.54 4.955 4257063 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4257063 4257063 DPISMR NCGC00064770-01 378.5 4 79.52 4.55 0.7943 4 12.74 23.07 4.955 865758 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=865758 865758 DPISMR NCGC00065120-01 387.5 4 106.2 2.96 4 8.285 21.84 4244343 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4244343 4244343 DPISMR NCGC00065794-01 368.4 4 95.43 3.3 15.85 4 10.29 27.51 3.512 866046 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=866046 866046 DPISMR NCGC00067824-01 464.5 4 106.3 3.77 10 4 24.3 30.21 3.132 4251320 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4251320 4251320 DPISMR NCGC00067829-01 400.4 4 104 4.53 4 18.4 15.8 863730 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=863730 863730 DPISMR NCGC00067835-01 223.2 4 50.19 2.7 4 22.02 13.14 864911 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=864911 864911 DPISMR NCGC00068847-01 334.4 4 52.23 2.88 7.943 3 15.35 56.6 2.333 864329 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=864329 864329 DPISMR NCGC00069027-01 455.5 4 92.95 3.47 10 3 14.51 61.89 1.753 4251892 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4251892 4251892 DPISMR NCGC00069741-01 305.4 4 112.5 2.45 12.59 4 14.9 28.15 1.01 4246874 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4246874 4246874 DPISMR NCGC00069763-01 440.5 4 105.4 3.14 4 19.06 19.54 4245149 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4245149 4245149 DPISMR NCGC00070409-01 302.3 4 93.06 2.15 4 8.561 15.49 865631 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=865631 865631 DPISMR NCGC00070428-01 284.3 4 81.34 1.08 10 3 12.44 70.52 3.132 860035 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=860035 860035 DPISMR NCGC00070467-01 491.5 4 105.5 3.14 10 2.2 15.62 68.28 1.928 859750 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=859750 859750 DPISMR NCGC00070527-01 325.4 4 71.08 3.96 4 9.368 12.98 863589 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=863589 863589 DPISMR NCGC00071779-01 320.3 4 107.2 2.67 4 2.836 18.15 865572 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=865572 865572 DPISMR NCGC00071907-01 246.3 4 85.63 1.94 7.943 4 11.99 25.36 0.5 856492 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=856492 856492 DPISMR NCGC00071908-01 416.5 4 99.49 0.83 4 8.739 12.48 865294 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=865294 865294 DPISMR NCGC00073051-01 306.4 1.4 4.955 61.28 3.68 0.0063 15.85 -2.2 31.41 53.83 1 852615 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=852615 852615 DPISMR NCGC00073250-01 287.4 4 42.68 3.46 4 8.779 15.4 845423 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=845423 845423 DPISMR NCGC00073570-01 309.3 4 73.79 1.35 4 9.052 6.753 3714694 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3714694 3714694 DPISMR NCGC00074363-01 247.3 4 22.12 3.81 12.59 2.1 6.56 115.9 1.478 8142900 UPCMLD00CSUNGBOKO3 UPCMLD NCGC00074436-01 299.4 4 29.1 4.97 0.2512 4 3.044 23.1 1.826 4266741 UPCMLD01ACMC001168 UPCMLD NCGC00074440-01 375.4 4 29.1 6 15.85 4 6.067 31.94 2.847 4266760 UPCMLD01ACMC002007 UPCMLD NCGC00076158-01 258.3 4 41.13 4.05 4 9.131 18.91 7977204 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7977204 7977204 DPISMR NCGC00076510-01 358.5 4 40.62 3.6 12.59 2.2 9.443 96.2 1.372 7972436 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7972436 7972436 DPISMR NCGC00078542-01 239.3 4 52.82 3.69 1.995 4 15.42 22.57 1 7978160 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7978160 7978160 DPISMR NCGC00078926-01 257.3 4 103.9 1.66 2.512 4 18.21 25.97 1.21 7977733 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7977733 7977733 DPISMR NCGC00078966-01 271.7 4 64.92 3.86 0.2512 4 18.43 27.13 1 7973985 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7973985 7973985 DPISMR NCGC00079050-01 366.4 4 83.1 3.85 12.59 4 7.163 32.51 1.753 7972219 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7972219 7972219 DPISMR NCGC00079138-01 245.3 4 52.82 3.3 4 11.16 28.01 7976853 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7976853 7976853 DPISMR NCGC00079713-01 356.2 4 55.38 5.19 5.012 4 7.721 29.12 0.9 7973693 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7973693 7973693 DPISMR NCGC00079740-01 313.8 4 44.37 3.61 12.59 4 8.881 29.38 1.594 7978431 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7978431 7978431 DPISMR NCGC00080190-01 256.3 4 41.57 2.7 19.95 4 11.22 30.63 4.955 7978156 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7978156 7978156 DPISMR NCGC00080683-01 349.4 4 109.6 1.2 4 9.981 60.09 7970122 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7970122 7970122 DPISMR NCGC00081983-01 433.9 4 61.68 3.6 5.012 4 11.64 29.94 3.065 7971764 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7971764 7971764 DPISMR NCGC00082366-01 383.8 4 77.25 4.29 0.0126 4 11.64 38.4 4.955 7969890 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969890 7969890 DPISMR NCGC00082519-01 352.4 4 66.57 4.33 6.31 2.1 15.17 106.5 1.967 7968493 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968493 7968493 DPISMR NCGC00082778-01 323.4 4 76.24 2.91 15.85 4 6.548 22.2 0.5 7969335 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969335 7969335 DPISMR NCGC00082935-01 278.3 4 76.66 0.93 4 18.96 26.43 7965141 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965141 7965141 DPISMR NCGC00082974-01 305.4 4 48.99 3.08 0.02 4 11.46 33.59 4.955 7964976 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964976 7964976 DPISMR NCGC00083146-01 308.3 4 75.36 3.86 12.59 4 5.549 28.02 0.7 7967077 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967077 7967077 DPISMR NCGC00083354-01 424.5 4 105.4 3.34 19.95 4 7.214 28.14 4.955 7969304 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969304 7969304 DPISMR NCGC00084506-01 396.5 4 57.58 3.52 3.162 4 13.07 48.02 1.808 7968816 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968816 7968816 DPISMR NCGC00084508-01 402.5 4 74.57 2.03 0.7943 4 13.63 54.27 0.6 7968751 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968751 7968751 DPISMR NCGC00084537-01 479.5 4 92.1 4.1 1.585 4 11.71 62.62 0.5 7967808 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967808 7967808 DPISMR NCGC00084542-01 442.5 4 65.86 3.45 3.981 4 10.05 41.5 4.955 7965878 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965878 7965878 DPISMR NCGC00084545-01 367.5 4 47.34 3.96 12.59 4 7.325 66.01 4.095 7967572 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967572 7967572 DPISMR NCGC00084565-01 444.5 4 81.24 1.32 10 4 9.944 67.53 4.955 7965340 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965340 7965340 DPISMR NCGC00084579-01 425.9 4 56.57 4.96 19.95 4 7.519 68.41 4.449 7968902 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968902 7968902 DPISMR NCGC00084586-01 440.5 4 86.86 3.39 3.981 4 11.89 77.42 4.955 7969333 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969333 7969333 DPISMR NCGC00084591-01 460.6 4 81.24 1.93 0.3981 4 8.465 56.36 0.4 7965956 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965956 7965956 DPISMR NCGC00084597-01 361.5 4 67.59 3.58 1.995 4 11.17 73.59 2.847 7967936 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967936 7967936 DPISMR NCGC00084619-01 425.5 4 83.72 2.92 3.162 4 13.05 82.93 3.132 7965805 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965805 7965805 DPISMR NCGC00084629-01 414.3 4 76.82 2.49 1 4 10.26 67.1 2.406 7965317 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965317 7965317 DPISMR NCGC00084639-01 347.9 4 46.92 4.49 0.7943 4 7.69 55.85 0.7 7965572 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965572 7965572 DPISMR NCGC00084661-01 428.3 4 85.61 2.92 1 4 9.749 69.12 3.929 7967627 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967627 7967627 DPISMR NCGC00084663-01 416.3 4 85.61 2.78 1 4 23.19 65.96 3.512 7966013 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966013 7966013 DPISMR NCGC00084666-01 356.4 4 49.85 3.03 0.631 4 11.26 57.64 1.509 7965987 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965987 7965987 DPISMR NCGC00084681-01 484.4 4 82.86 2.38 0.5012 4 8.926 89.51 0.8 7966916 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966916 7966916 DPISMR NCGC00084687-01 436.5 4 106.4 2.18 1.585 2.2 6.638 96.25 1.331 7965041 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965041 7965041 DPISMR NCGC00084696-01 429.5 4 99.18 2.82 1.259 4 16.41 69.75 1.1 7965556 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965556 7965556 DPISMR NCGC00084711-01 440.5 4 117.3 2.47 1 4 23.26 78.05 0.5 7969334 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969334 7969334 DPISMR NCGC00084743-01 464.5 4 4.955 135.3 2.8 0.3981 3.162 4 20.73 74.87 0.7 7965780 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965780 7965780 DPISMR NCGC00084761-01 456.5 4 135.3 2.22 1.259 4 10.6 79.19 0.9 7966075 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966075 7966075 DPISMR NCGC00084762-01 458.5 4 115.9 2.26 0.7943 4 10.9 79.34 0.8 7968597 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968597 7968597 DPISMR NCGC00084763-01 470.5 4 135.3 2.61 7.943 2.2 13.16 91.75 0.9 7965153 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965153 7965153 DPISMR NCGC00084774-01 355.8 4 59.23 4.44 3.981 4 6.987 79.15 4.955 7966817 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966817 7966817 DPISMR NCGC00084778-01 263.3 4 37.61 1.89 1 4 9.545 84.32 3.512 7966374 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966374 7966374 DPISMR NCGC00084788-01 355.4 4 74.09 1.68 12.59 4 8.174 78.02 4.504 7968984 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968984 7968984 DPISMR NCGC00084792-01 414.3 4 59.23 4.86 1 4 10.1 74.41 0.4 7965009 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965009 7965009 DPISMR NCGC00084793-01 464.5 4 135.3 2.8 3.981 3 8.84 104.6 0.9 7968203 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968203 7968203 DPISMR NCGC00084803-01 470.5 4 135.3 2.61 6.31 3 9.942 83.93 1.344 7965763 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965763 7965763 DPISMR NCGC00084808-01 363.4 4 89.35 2.69 1 4 12.92 88.87 0.4 7968172 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968172 7968172 DPISMR NCGC00084809-01 349.4 4 76.82 2.5 3.162 4 11.83 78.32 0.5 7966086 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966086 7966086 DPISMR NCGC00084814-01 457.5 4 99.32 2.06 1 4 9.585 84.35 1.21 7965392 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965392 7965392 DPISMR NCGC00084821-01 429.4 4 104.1 2.92 1.259 4 13.21 68.19 0.4 7965666 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965666 7965666 DPISMR NCGC00084827-01 431.5 4 132.5 2.11 1.259 4 11.41 80.92 0.5 7964647 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964647 7964647 DPISMR NCGC00084829-01 375.4 4 96.95 3.09 5.012 4 11.81 77.36 0.7 7964939 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964939 7964939 DPISMR NCGC00084838-01 350.4 4 54.63 3.07 0.2512 4 10.85 50.86 1.885 7965867 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965867 7965867 DPISMR NCGC00084839-01 421.9 4 123.3 2.37 6.31 4 9.734 80.88 0.9 7967365 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967365 7967365 DPISMR NCGC00084850-01 306.4 4 51.97 3.43 15.85 3 12.7 66.52 3.99 7965368 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965368 7965368 DPISMR NCGC00084856-01 339.4 4 77.04 2.6 2.512 4 18.16 75.46 0.6 7965691 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965691 7965691 DPISMR NCGC00084862-01 378.5 4 79.47 2.81 1.995 4 11.56 61.76 0.6 7968980 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968980 7968980 DPISMR NCGC00084864-01 345.4 4 68.39 3.18 1.259 4 8.689 51.75 3.132 7969303 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969303 7969303 DPISMR NCGC00084875-01 405.5 4 98.4 1.45 1.259 4 12.07 69.29 3.132 7966693 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966693 7966693 DPISMR NCGC00084881-01 341.8 4 85.83 2.49 15.85 4 8.754 58.49 4.955 7967685 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967685 7967685 DPISMR NCGC00084887-01 349.4 4 85.83 3.39 6.31 4 10.9 62.61 0.8 7969128 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969128 7969128 DPISMR NCGC00084889-01 365.4 4 57.51 3.75 1 4 8.109 56.83 0.4 7966948 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966948 7966948 DPISMR NCGC00084892-01 315.3 4 113.1 2.71 19.95 4 8.713 58.82 4.449 7964828 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964828 7964828 DPISMR NCGC00084906-01 320.4 4 51.97 3.74 0.2512 4 8.825 48.88 2.333 7969261 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969261 7969261 DPISMR NCGC00084911-01 387.8 4 104.3 2.83 2.512 4 9.73 72.78 3.065 7966803 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966803 7966803 DPISMR NCGC00084919-01 420.2 4 95.06 3.07 1.995 4 10.62 61.94 1.464 7965697 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965697 7965697 DPISMR NCGC00084921-01 320.4 4 104.2 1.93 0.0126 4 10.88 73.33 0.5 7969428 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969428 7969428 DPISMR NCGC00084945-01 399.5 4 104.3 2.9 0.0251 4 11.08 61.85 0.4 7966488 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966488 7966488 DPISMR NCGC00084946-01 280.3 4 55.88 3.33 0.2512 4 10.66 77.6 1.1 7967037 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967037 7967037 DPISMR NCGC00084949-01 353.4 4 85.83 2.56 15.85 4 12.69 69.96 4.449 7966002 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966002 7966002 DPISMR NCGC00084957-01 355.4 4 91.64 1.38 3.981 4 6.853 126.1 4.955 7966650 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966650 7966650 DPISMR NCGC00084963-01 320.4 4 45.4 3.06 4 13.66 82.56 7968217 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968217 7968217 DPISMR NCGC00084969-01 397.4 4 113.5 2.58 1 4 11.63 49.38 4.955 7965003 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965003 7965003 DPISMR NCGC00084985-01 352.4 4 45.4 3.51 1.259 4 11.26 45.77 0.9 7968338 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968338 7968338 DPISMR NCGC00084988-01 365.5 4 77.04 2.92 0.631 4 13.23 71.81 1.21 7964566 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964566 7964566 DPISMR NCGC00084991-01 278.4 4 32.67 4.02 1.995 3 10.41 87.29 1.885 7967240 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967240 7967240 DPISMR NCGC00084996-01 366.5 4 75.19 3.35 1.259 4 11.62 59.78 2.253 7965332 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965332 7965332 DPISMR NCGC00085001-01 365.4 4 95.06 2.41 0.2512 4 14.83 61.02 0.7 7967753 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967753 7967753 DPISMR NCGC00085003-01 406.4 4 90.99 3.98 3.162 4 10.89 80.2 3.572 7965790 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965790 7965790 DPISMR NCGC00085006-01 339.8 4 68.76 3.97 0.7943 1.2 9.946 62.6 4.504 7966400 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966400 7966400 DPISMR NCGC00085025-01 391.4 4 90.3 3.22 5.012 4 11.15 86.22 0.6 7968530 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968530 7968530 DPISMR NCGC00085035-01 472.6 4 66.63 3.49 0.7943 4 8.867 62.56 1.627 7966242 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966242 7966242 DPISMR NCGC00085038-01 323.4 4 68.76 3.45 3.981 4 9.034 98.61 4.955 7968712 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968712 7968712 DPISMR NCGC00085044-01 333.4 4 68.76 3.88 6.31 4 10.89 71 0.8 7964681 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964681 7964681 DPISMR NCGC00085076-01 333.4 4 68.76 3.88 1.585 4 13.58 63.42 1.331 7966692 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966692 7966692 DPISMR NCGC00085078-01 349.4 4 77.99 3.71 3.981 4 8.971 94.05 4.955 7967245 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967245 7967245 DPISMR NCGC00085096-01 305.4 4 68.76 3.32 0.7943 4 13.16 80.48 0.8 7967530 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967530 7967530 DPISMR NCGC00085101-01 309.4 4 45.55 2.52 0.5012 4 9.736 74.44 1.01 7969397 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969397 7969397 DPISMR NCGC00085102-01 384.3 4 68.76 4.08 3.981 4 9.249 107.9 4.955 7968387 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968387 7968387 DPISMR NCGC00085103-01 337.4 4 45.55 3.3 3.162 3 8.391 74.59 0.9 7969018 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969018 7969018 DPISMR NCGC00085120-01 366.4 4 67.87 3.42 3.162 4 9.239 78.69 0.4 7968301 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968301 7968301 DPISMR NCGC00085132-01 351.4 4 87.22 3.02 0.3981 4 9.472 71.67 1 7965699 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965699 7965699 DPISMR NCGC00085133-01 326.4 4 57.58 1.57 3.981 3 9.994 83.24 0.7 7966828 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966828 7966828 DPISMR NCGC00085137-01 368.5 4 57.58 2.74 1.995 2.2 9.238 73.71 0.8 7964963 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964963 7964963 DPISMR NCGC00085143-01 354.5 4 57.58 2.35 1.995 2.2 12.35 74.06 0.8 7965163 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965163 7965163 DPISMR NCGC00085144-01 478.6 4 99.26 2.42 0.1995 4 8.362 78.61 0.4 7967872 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967872 7967872 DPISMR NCGC00085156-01 482.6 4 98.31 2.26 1 2.2 12.66 81.15 2.353 7968459 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968459 7968459 DPISMR NCGC00085169-01 366.4 4 88.64 1.62 5.012 4 12.2 78.34 0.6 7969012 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969012 7969012 DPISMR NCGC00085180-01 424.6 4 0.8 82.61 2.07 0.2512 0.7943 4 22.97 79.52 1.714 7967014 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967014 7967014 DPISMR NCGC00085189-01 400.9 4 1.967 67.98 3.64 0.1585 0.3162 4 24.8 78.5 1.989 7964740 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964740 7964740 DPISMR NCGC00085227-01 339.2 4 75.36 3.59 3.981 4 9.823 61.26 1.858 7965026 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965026 7965026 DPISMR NCGC00085240-01 475.3 4 97.13 3.47 3.981 4 7.434 92.98 4.955 7968703 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968703 7968703 DPISMR NCGC00085244-01 482.6 4 87.91 4.16 0.3162 4 11.33 64.14 3.572 7968665 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968665 7968665 DPISMR NCGC00085260-01 399.5 4 78.95 1.74 3.981 4 8.928 71.16 4.955 7965760 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965760 7965760 DPISMR NCGC00085263-01 324.4 4 72.95 3.62 3.981 2.2 11.52 84.47 0.6 7966907 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966907 7966907 DPISMR NCGC00085277-01 435.5 4 96.02 2.41 1.585 4 8.016 61.78 0.9 7964682 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964682 7964682 DPISMR NCGC00085283-01 484.6 4 90.47 2.38 0.2512 4 13.55 73.46 3.132 7968277 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968277 7968277 DPISMR NCGC00085302-01 448.5 4 118.6 2.06 0.5012 4 8.152 62.25 0.6 7967549 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967549 7967549 DPISMR NCGC00085315-01 380.4 4 73.59 4.71 12.59 4 8.999 59.08 1.344 7967239 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967239 7967239 DPISMR NCGC00085316-01 416.5 4 73.59 4.3 3.162 4 8.985 63.76 1.1 7968870 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968870 7968870 DPISMR NCGC00085317-01 336.4 4 51.13 2.77 0.5012 4 8.732 56.98 1.464 7964650 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964650 7964650 DPISMR NCGC00085326-01 369.4 4 70.16 1.18 5.012 2.2 8.951 82.67 0.8 7966455 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966455 7966455 DPISMR NCGC00085331-01 310.4 4 72.95 3.37 1.259 2.2 13.93 85.72 2.253 7964644 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964644 7964644 DPISMR NCGC00085339-01 364.4 4 68.51 3.45 3.981 4 9.887 73.44 0.7 7965463 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965463 7965463 DPISMR NCGC00085350-01 350.4 4 81.43 2.43 2.512 4 11.96 81.28 0.7 7964693 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964693 7964693 DPISMR NCGC00085373-01 436.5 4 92.7 2.44 1 4 9.499 69.21 3.572 7966267 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966267 7966267 DPISMR NCGC00085374-01 368.9 4 72.2 3.47 3.981 4 8.008 113.8 4.955 7969386 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969386 7969386 DPISMR NCGC00085377-01 436.5 4 92.7 2.44 5.012 4 9.442 88.08 0.8 7966756 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966756 7966756 DPISMR NCGC00085391-01 344.5 4 58.64 3.03 1.585 2.2 10.39 93.72 1.21 7967154 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967154 7967154 DPISMR NCGC00085395-01 359.5 4 70.67 2.47 6.31 4 11.97 75.59 0.8 7965864 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965864 7965864 DPISMR NCGC00085398-01 330.8 4 67.43 2.75 0.0631 4 21.54 77.65 2.72 7968474 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968474 7968474 DPISMR NCGC00085421-01 367.4 4 71.53 2.68 1.259 4 12.05 72.88 0.7 7965231 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965231 7965231 DPISMR NCGC00085422-01 370.4 4 85.89 3.21 1 4 10.25 66.92 4.095 7967026 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967026 7967026 DPISMR NCGC00085450-01 422.5 4 73.91 2.1 1.259 4 9.666 71.95 0.7 7966516 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966516 7966516 DPISMR NCGC00085461-01 378.5 4 66.48 3.03 1 4 9.281 69.42 0.9 7965828 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965828 7965828 DPISMR NCGC00085469-01 417.5 4 71.33 3.4 1.995 2.2 14.26 89.57 0.8 7967939 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967939 7967939 DPISMR NCGC00085470-01 370.8 4 81.43 2.31 2.512 4 9.316 87.73 2.333 7965427 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965427 7965427 DPISMR NCGC00085479-01 335.4 3 94.11 1.62 3.981 -3 27.85 71.34 4.955 7965121 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965121 7965121 DPISMR NCGC00085480-01 370.4 4 85.89 2.15 1.585 4 7.283 75.8 0.5 7968522 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968522 7968522 DPISMR NCGC00085486-01 324.4 4 58.64 2.82 0.5012 4 9.843 76.3 4.504 7967381 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967381 7967381 DPISMR NCGC00085499-01 425.5 4 80.12 4.09 1 4 11.34 55.36 0.6 7965611 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965611 7965611 DPISMR NCGC00085500-01 350.4 4 81.43 1.97 3.981 4 11.75 74.39 1.808 7967185 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967185 7967185 DPISMR NCGC00085503-01 439.5 4 80.12 4.34 3.981 4 11.53 39.5 4.955 7969258 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969258 7969258 DPISMR NCGC00085504-01 364.5 4 81.43 2.36 10 4 12.14 87.93 1.21 7966596 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966596 7966596 DPISMR NCGC00085505-01 429.5 4 80.12 3.92 1.259 4 11.27 80.61 1.464 7967134 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967134 7967134 DPISMR NCGC00085511-01 445.9 4 80.12 4.43 1 4 19.24 63.41 1.344 7967600 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967600 7967600 DPISMR NCGC00085515-01 388.9 4 56.84 3.29 1.259 4 9.55 64.32 0.5 7966496 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966496 7966496 DPISMR NCGC00085518-01 345.4 4 87.74 1.21 2.512 4 9.347 84.77 0.8 7965767 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965767 7965767 DPISMR NCGC00085522-01 328.3 4 67.43 2.54 12.59 4 7.205 63.04 3.929 7966761 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966761 7966761 DPISMR NCGC00085536-01 348.4 4 81.43 2.19 1.585 4 11.49 78.87 1.1 7968912 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968912 7968912 DPISMR NCGC00085537-01 441.5 4 89.35 3.79 1.585 2.2 9.874 69.87 0.5 7964833 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964833 7964833 DPISMR NCGC00085539-01 441.5 4 89.35 3.79 1.259 2.2 11.24 80.48 1.372 7965030 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965030 7965030 DPISMR NCGC00085558-01 269.3 4 49.77 2.74 0.1995 4 11.17 62.32 2.406 7969307 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969307 7969307 DPISMR NCGC00085559-01 399.9 4 57.51 4.5 3.981 4 7.734 104.2 4.955 7966601 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966601 7966601 DPISMR NCGC00085568-01 482.6 4 73.82 3.12 0.1995 4 7.128 50.09 1.1 7967703 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967703 7967703 DPISMR NCGC00085580-01 402.4 4 69.26 3.91 15.85 4 7.856 62.19 4.504 7968020 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968020 7968020 DPISMR NCGC00085587-01 301.4 4 37.81 3.9 3.162 4 8.51 57.69 0.6 7968407 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968407 7968407 DPISMR NCGC00085590-01 374.4 4 79.62 3.89 15.85 4 7.934 60.69 3.132 7966707 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966707 7966707 DPISMR NCGC00085600-01 425.5 4 88.6 3.28 1.585 2.2 9.513 77.92 0.9 7965396 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965396 7965396 DPISMR NCGC00085603-01 471.5 4 103.4 1.53 0.5012 4 12.7 53.37 0.5 7965948 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965948 7965948 DPISMR NCGC00085616-01 359.4 4 54.46 4.56 0.3162 4 11.04 41.11 4.955 7965346 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965346 7965346 DPISMR NCGC00085624-01 376.5 4 69.89 2.03 1.585 4 11.05 59.43 1.464 7965841 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965841 7965841 DPISMR NCGC00085625-01 441.5 4 100.5 2.24 5.012 4 10.35 82.57 0.6 7964563 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964563 7964563 DPISMR NCGC00085628-01 368.4 4 98.94 2.06 3.981 4 7.552 80.6 4.955 7965735 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965735 7965735 DPISMR NCGC00085635-01 365.8 4 55.84 2.72 1 2.2 9.725 69.53 0.9 7964701 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964701 7964701 DPISMR NCGC00085640-01 359.4 4 63.69 3.62 1.585 4 11.96 67.81 1.464 7969315 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969315 7969315 DPISMR NCGC00085641-01 440.5 4 82 2.23 1 4 10.59 62.31 1.885 7967693 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967693 7967693 DPISMR NCGC00085648-01 343.4 4 45.23 4.72 3.981 4 7.501 72.05 4.955 7967103 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967103 7967103 DPISMR NCGC00085678-01 365.8 4 54.46 4.51 1.995 2.2 7.512 91.27 1.1 7965711 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965711 7965711 DPISMR NCGC00085679-01 262.3 4 67.43 2.14 1.995 4 7.441 77.43 0.5 7966580 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966580 7966580 DPISMR NCGC00085687-01 272.4 4 4.955 38.05 3.75 0.0126 0.631 4 21.5 67.04 1.21 7967828 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967828 7967828 DPISMR NCGC00085696-01 319.4 4 55.84 1.91 0.7943 4 11.84 66.53 0.9 7966137 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966137 7966137 DPISMR NCGC00085705-01 361.4 4 63.69 3.87 5.012 3 8.82 92.51 0.7 7967743 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967743 7967743 DPISMR NCGC00085706-01 299.4 4 49.17 3.1 0.1259 4 10.78 60.7 2.533 7968633 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968633 7968633 DPISMR NCGC00085711-01 339.4 4 77.24 3.24 12.59 4 14.72 68.7 2.473 7966994 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966994 7966994 DPISMR NCGC00085738-01 415.5 4 51.27 5.21 1.995 4 11.76 58.3 1 7967484 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967484 7967484 DPISMR NCGC00085744-01 253.3 4 81.01 1.72 0.3981 4 8.851 86.43 4.095 7967206 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967206 7967206 DPISMR NCGC00085760-01 404.5 4 94.3 3.68 6.31 4 7.993 74.78 0.7 7966126 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966126 7966126 DPISMR NCGC00085761-01 355.4 4 65.9 1.85 3.981 4 8.245 70.89 0.6 7966869 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966869 7966869 DPISMR NCGC00085766-01 446.5 4 72.96 3.83 3.981 4 24.36 72.96 4.955 7964703 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7964703 7964703 DPISMR NCGC00085769-01 411.5 4 88.4 1.88 0.631 4 12.96 51.66 1.1 7967887 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967887 7967887 DPISMR NCGC00085782-01 284.4 4 49.85 0.94 1.259 4 16.66 77.24 1.1 7967203 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967203 7967203 DPISMR NCGC00085785-01 251.3 4 51.81 3.42 0.0631 4 12.52 63.1 0.3 7966906 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966906 7966906 DPISMR NCGC00085820-01 367.4 4 73.86 2.91 3.981 4 7.484 75.8 0.5 7966760 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966760 7966760 DPISMR NCGC00085836-01 263.7 4 70.91 2.87 3.981 4 9.085 71.81 0.6 7965985 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965985 7965985 DPISMR NCGC00085842-01 325.3 4 59.31 4.4 3.981 4 11.59 66.91 0.5 7966808 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966808 7966808 DPISMR NCGC00085846-01 285.3 4 53.06 3.59 0.2512 4 18.74 69.24 1.714 7967738 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967738 7967738 DPISMR NCGC00085848-01 251.3 4 46.61 1.93 19.95 4 12.63 77 4.449 7967214 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967214 7967214 DPISMR NCGC00085849-01 276.4 4 8.17 3.68 6.31 4 13.87 74.67 1.272 7965253 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965253 7965253 DPISMR NCGC00085854-01 357.4 4 73.86 2.85 2.512 4 6.745 85.13 1.331 7968545 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968545 7968545 DPISMR NCGC00085858-01 409.4 4 63.68 3.94 3.981 4 12.41 110.8 4.955 7965258 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965258 7965258 DPISMR NCGC00085863-01 368.5 4 95.16 1.88 3.981 4 9.335 78.2 0.7 7965222 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965222 7965222 DPISMR NCGC00085864-01 275.3 4 71.08 2.8 1.585 4 10.56 76.3 1.1 7968108 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968108 7968108 DPISMR NCGC00085865-01 406.5 4 104.4 2.46 3.981 2.2 10.28 94.29 0.9 7965232 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7965232 7965232 DPISMR NCGC00085871-01 391.5 4 97.19 1.78 5.012 4 10.58 79.5 0.6 7969434 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969434 7969434 DPISMR NCGC00085879-01 284.4 4 46.33 3.55 5.012 4 19.2 78.79 0.8 7967889 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967889 7967889 DPISMR NCGC00085888-01 220.3 4 4.449 55.04 1.76 0.0251 0.5012 4 29.99 85.13 0.4 7966036 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966036 7966036 DPISMR NCGC00085889-01 337.7 4 4.955 55.84 1.94 0.0251 1.995 4 26.34 81.58 0.6 7969314 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969314 7969314 DPISMR NCGC00085893-01 383.5 4 3.132 69.02 3.89 1.259 0.3981 4 27.21 56.34 1.808 7968890 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7968890 7968890 DPISMR NCGC00085894-01 218.3 3 55.04 1.81 3.981 -3 23.71 69.01 4.955 7967558 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7967558 7967558 DPISMR NCGC00086236-01 335.4 4 77.99 2.81 0.01 4 13.37 23.99 4.955 7966175 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7966175 7966175 DPISMR NCGC00086596-01 441.3 4 72.95 4.74 3.981 4 22.57 26.5 2.72 7969232 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969232 7969232 DPISMR NCGC00086717-01 383.4 4 88.58 3.78 0.3981 4 14.97 53.09 0.6 7970817 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7970817 7970817 DPISMR