Required_Chemicals_List.xlsx

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Multiple Chemicals Federal contract opportunity
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SB1341-17-RQ-0675
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Department of Commerce National Institute of Standards and Technology

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CLIN0001

SMILESMWUnit Price (per 1 mg)
[s]1c(nc(c1)c3cc(c(cc3)O)O)Nc2ccc(cc2)Cl318.78
[s]1c(nc(c1)c3cc(c(cc3)O)O)Nc2cc(ccc2)Cl318.78
Clc1c(c(cc(c1)C=C2C(=O)c3c(cccc3)C2=O)Cl)O319.14
[s]1c2ncnc(c2cc1)O152.18
Br.N1(CC[C@@]32[C@@H](Oc4c3c(ccc4OC)C1)C[C@H](C=C2)O)C368.27
n1c2c(c(ccc2O)C)ccc1159.19
Fc1ccc(cc1)C[n]2c3c(nc2O)cccc3242.25
Cl.Nc1c(cc(c(c1)C(C)C)O)C201.7
Nc1c(cc(cc1)Cc2cc(c(cc2)N)O)O230.27
[n]21c3c(nc2C(=C(C=C1NCCO)C)C#N)cccc3266.3
Clc1c(cccc1)C(=O)Nc2c(cccc2)O247.68
N(c2ccc(cc2)O)C(=O)c1cc(c(c(c1)OC)OC)OC303.31
N(CCNCc2c(cccc2)O)Cc1c(cccc1)O272.35
OC(CO)CCCCCCCCC188.31
S1C(SCC1)c2ccc(cc2)O198.31
Sc1[nH]c2c(n1)nc(nc2O)N183.19
Cl.N(CCOC(=O)C(O)(c2ccccc2)c1ccccc1)(CC)CC363.88
Clc1c(c(cc(c1)Cl)Cl)OCCO241.5
FC(F)(F)C(O)(C(F)(F)F)c1ccc(cc1)C258.16
Clc1c2ncnc(c2cc(c1)Cl)O215.04
Sc1nc2c(c(n1)O)CCCC2182.25
Oc1c(cc(cc1)C(C)(C)C)C(=O)c2ccccc2254.33
[n]1(c2ncnc(c2nc1)N)CC(O)CO209.21
N(C(c4ccccc4)c2c(c3ncccc3cc2)O)c1ccccc1326.4
Clc1ccc(cc1)C(O)(c3ccc(cc3)Cl)c2ccc(cc2)Cl363.67
Sc1nc2c(c(n1)O)CCC2168.22
Brc1cnc2nc(c(nc2c1)O)O242.03
[nH]1c2c(nc1O)cc(c(c2)N)N164.17
Brc1c(nc2c(c1C)cccc2)O238.08
Oc1ccc(cc1)C(C(C)C)c2ccc(cc2)O242.32
N(Cc1c2c(ccc1O)cccc2)(C)C201.27
n1c2c(c(c(c1C)CC)O)cccc2C201.27
n1c2c([o]c1C3=Cc4c(cc(cc4)O)OC3=O)cccc2279.25
S(CC(O)CO)c1ncnc2nc[nH]c21226.26
FC(F)(F)c1cc2nc(c(nc2cc1)O)O230.15
Clc1ccc(cc1)[n]2nnc(c2)CO209.63
Oc1c2c(cc3c1C(=O)c4c(cccc4)C3=O)cccc2274.28
Fc1ccc(cc1)NC(=O)c2cc3c(cc2O)cccc3281.29
Clc1c(cccc1c2nc([nH]c2c4ccccc4)c3cc(c(cc3)OC)O)Cl411.29
Brc1ccc(cc1)c2nc([nH]c2c4ccccc4)c3cc(ccc3)O391.27
N(c2ccc(cc2)O)C1=CC(=O)CC(C1)(C)C231.29
O1O[C@@]2(CO[C@H]3OC([C@@H]([C@H]4[C@]31[C@H]([C@@H](CC4)C)C2)C)O)C284.35
[s]1c(nc(c1)c2cc(c(cc2)O)O)N208.24
O1C(OCC(C1)(CO)CO)c2ccccc2224.26
Brc1cc(c(cc1)O)C(C)(C)C229.12
S(C)c1ncnc(c1C#N)O167.19
ClCc1nc(nc(c1)O)c2ccccc2220.66
Sc1nc2c(c(n1)O)CN(CC2)Cc3ccccc3273.36
Sc1nc(cc(n1)CC)O156.21
Clc1ccc(cc1)[n]2ncc3c2ncnc3O246.66
[s]1c(ccc1)C#CC(O)(C)C166.24
BrCc1nc2c(nc1O)cccc2239.07
Sc1[nH]c(nn1)c2ccc(cc2)O193.23
Brc1ccc(cc1)C(O)CN2CCOCC2286.17
N1C(c3c(cccc3)C1=O)(O)c2ccccc2225.25
Clc1ccc(cc1)C(=O)Nc2cc(ccc2)O247.68
OC2(CCCCC2)Cc1ccccc1190.29
[n]1(ncnc1)CO99.09
[N+](=O)([O-])c1c(cc(cc1)C(=O)OC)O197.15
Clc1c(ncc(c1)[N+](=O)[O-])O174.54
Ic1cc2c(ncnc2O)cc1272.04
[S](=O)(=O)(O)c1c2c(c(ccc2)O)ccc1224.24
Nc1nc(c(c(n1)O)N=O)N155.12
N1([C@@H]2C[C@H](C[C@H]1CC2)OC(=O)C(O)(c4ccccc4)c3ccccc3)C351.45
BrCc1c2c(nc(c1)O)cccc2238.08
FC(F)(F)c1c(ccc(c1)O)Cl196.56
[N+](=O)([O-])c1[n](c(nc1)C)CC(O)C185.18
Clc1c(cc(cc1)[N+](=O)[O-])O173.56
Clc1cnc(c(c1)[N+](=O)[O-])O174.54
Brc1c(ccc(c1)[N+](=O)[O-])O218.01
Clc1c(c(ncc1)O)[N+](=O)[O-]174.54
S(C)c1nc(c(cn1)Br)O221.08
Fc1c(cccc1)C[n]2c3c(nc2CO)cccc3256.28
Nc1c(ccc(c1)C(C)(C)c2cc(c(cc2)O)N)O258.32
Oc1cc2c(cc1)c3c(cc(cc3)O)C2=O212.2
[s]1c2c(ncnc2O)cc1152.18
[n]1(ncc(c1)CO)C112.13
[o]1c(ccc1CO)CO128.13
[n]1(ncc2c1ncnc2O)C150.14
Brc1cc(c(c(c1)C=O)O)OCC245.07
Clc1cc(ccc1)NC(=O)c2cc3c(cc2O)cccc3297.74
N(c3ccc(cc3)OCC)C(=O)c1cc2c(cc1O)cccc2307.35
S1\C(=C\c2ccc(cc2)O)\C(=O)NC1=S237.3
[s]1c2c(nc1c3c(ccc(c3)Cl)O)cccc2261.73
Oc1c(cc(c(c1)O)C=O)CCCCCC222.28
Nc1c2c(c(cc1)O)C(=O)c3c(c(ccc3N)O)C2=O270.24
NC1=C(C(C(=C(O1)C)C(=O)OCC)c2ccc(cc2)O)C#N300.31
N#CC(=Cc1cc(c(cc1)OC)O)C#N200.2
N#CC(=Cc1c(cccc1)O)C#N170.17
N#CC(=Cc1cc(c(cc1)O)OC)C#N200.2
Nc1c(ccc(c1)Cc2cc(c(cc2)O)N)O230.27
Nc1nc(c(c(n1)C)CC)O153.18
Nc1nc(cc(n1)CC)O139.16
[s]1c(ccc1)C(=O)CC2(c3c(c(ccc3)Cl)NC2=O)O307.76
[nH]1c2c(c(c1C)C(=O)OC(C)C)cc(cc2)O233.27
Clc1c(ccc(c1)[N+](=O)[O-])NC(=O)c2c(c(cc(c2)Cl)Cl)O361.57
Sc1nc(cc(n1)c2ccc(cc2)OC)O234.28
Clc1ccc(cc1)OCC(O)C[n]2c3c(c4c2cccc4)cccc3351.83
[n]21c3c(nc2C(=C4CCCC4=C1NCCCO)C#N)cccc3306.37
Sc1[n](c(nn1)CCCO)c2ccccc2235.31
[N+](=O)([O-])c1cc(ccc1)C2C(C(CC(=O)C2C(=O)OC)(O)C)C(=O)OC365.34
Clc1ccc(cc1)C2C(C(CC(=O)C2C(=O)C)(O)C)C(=O)C322.79
Clc1cc(c(cc1)N)C(O)c2ccccc2233.7
Clc1cc2c(cc1O)OC(=O)C=C2c3ccccc3272.69
Brc1c(c(cc(c1O)C(=O)C)Br)O309.94
Sc1nnc([o]1)c2c(cccc2)O194.21
[N+](=O)([O-])c1c(c(ccc1O)[N+](=O)[O-])O200.11
S(Cc3ccccc3)c1nc2c(c(n1)O)cccc2268.34
Brc1c(c(cc(c1)C2C3=C(NC(=C2C(=O)OCCOC)C)CCCC3=O)OC)O466.33
n1[o]c2c3c1c(cc(c3C(=O)c5c2cccc5)O)Oc4ccc(cc4)C343.34
Brc1c(c(cc(c1)[N+](=O)[O-])C(c3[o]c(cc3)C)c2[o]c(cc2)C)O392.21
FC(F)(F)C(O)c1cc(ccc1)[N+](=O)[O-]221.14
S=C(N2CCOCC2)c1cc(c(cc1)O)OC253.32
N1c2c(cccc2)C(C1=O)(O)CC(=O)c3ccccc3267.28
N(C(C)C)CC(O)COc1ccc(cc1)C223.32
Brc1cc(c(cc1)O)c2[nH]c(c(n2)c4ccccc4)c3ccccc3391.27
[N+](=O)([O-])c1cc(c(cc1)NC(=O)COc2ccccc2)O288.26
[N+](=O)([O-])c1cc(ccc1)NC(=O)c2c(c3c(cc2)cccc3)O308.29
Clc1cc(c(c(c1)C(=O)OC)O)[N+](=O)[O-]231.59
Clc1ccc(cc1)NC(=O)c2c(ccc(c2)[N+](=O)[O-])O292.68
Clc1c(ccc(c1)CN2CC(CCC2)O)Cl260.16
Brc1c(c(cc(c1)Br)C)O265.93
Fc1c(cc(c(c1)O)F)Br208.99
N#CCC(O)CC#N110.12
[s]1c(nc(c1)c2ccc(cc2)Cl)O211.67
Fc1ccc(cc1)CC(=O)c2c(cc(cc2)O)O246.24
[s]1c2c(nc(nc2O)O)cc1168.18
FC(F)(F)COCCO144.09
[s]1c2c(c(c1\N=C\c3c(ccc(c3)Br)O)C(=O)OCC)CCCC2408.32
N1(C(C(C(C(C1c3ccccc3)C)O)C)c2ccccc2)C295.42
[n]2(c3c(c(c2C)C(=O)OCC)cc(cc3)O)c1ccc(cc1)C309.36
Brc1cc(c(cc1)O)CNc2[n](c3c(n2)cccc3)CC346.23
Brc1cc(c(cc1)O)CNc2[n](c3c(n2)cccc3)CCC360.25
[N+](=O)([O-])c1cc2c(cc1)OC3(N(c4c(cccc4)C3(C)C)CCO)C=C2352.39
[N+](=O)([O-])c1ccc(cc1)C2C(C(CC(=O)C2C(=O)OCC)(O)C)C(=O)OCC393.39
FC(F)Oc1c(cc(cc1)C=O)O188.13
N3(CCN(CC3)c4c(cccc4)OC)CC(O)COc1c2c(ccc1)cccc2392.5
Clc1cc(c(cc1)OCC(=O)NCCO)C243.69
[P](=O)(OCC)(OCC)C(O)c1c(cc(cc1)Cl)Cl313.12
N2(C(=Nc4c(cccc4)C2=O)c3ccccc3)c1ccc(cc1)O314.34
O1c2c(cc(c(c2)O)O)C3=C(CCCC3)C1=O232.24
Clc1ccc(cc1)c2nnc(cc2)O206.63
[S]1(=O)(=O)CC(C(C1)O)Cl170.62
n1[o]c(c(c1)C(=O)OCC)O157.13
O1c2c(ccc(c2)O)C=C(C1=O)C(=O)CCC232.24
n1c(c(c(cc1C)C(=O)OC)C#N)O192.17
[P](=O)(c3c(ccc(c3)O)O)(c2ccccc2)c1ccccc1310.29
n1c2c(c(c(c1)C(=O)OCC)O)c(ccc2OC)OC277.28
Sc1nnc([o]1)c2ccc(cc2)O194.21
N1(CCN(CCOCCN(CC1)CCO)CCO)CCO305.42
Clc1c(ccc(c1)N)NC(=O)c2c(ccc(c2)Cl)O297.14
[s]1c2c(nc1N(C)C)ccc(c2)O194.26
Clc1ccc(cc1)C(N4CCOCC4)c2cc3c(cc2O)OCO3347.8
[P](=O)(OCC)(OCC)C(O)c1ccc(cc1)OC274.25
Nc1[o]nc(c1)O100.08
[s]1c2nc(nc(c2c4c1CCCC4)O)CN3CCN(CC3)C318.44
Clc1c(nncc1N2CCOCC2)O215.64
Clc1ccc(cc1)c2n[n](nn2)CCO224.65
n1nc(ccc1O)c2ccc(cc2)OC202.21
Brc1c(c(cc(c1)Br)C(=O)Nc2ccc(cc2)Cl)O405.47
n1c2c(nc(c1O)CC(=O)C)cccc2202.21
Clc1cc2c(ncc(c2O)C(=O)OCC)cc1251.67
[s]1c2c(ncnc2O)cc1c3ccccc3228.27
N4(CCOCC4)C(c3ccc(cc3)OC)c1cc2c(cc1O)OCO2343.38
[S]1(=O)(=O)CC(C(C1)O)Br215.07
[n]1(ncc2c1ncnc2N(CCO)CCO)C237.26
[S]1(=O)(=O)CC(C(C1)O)NCCc2ccccc2255.34
[s]1c(nc(c1)c2c(cc(cc2)O)O)N208.24
Nc1c(cccc1)c2nc3c(nc2O)cccc3237.26
[s]1c2ncnc(c2cc1C)O166.2
N4(CCOCC4)C(c3cc(c(cc3)OC)OC)c1cc2c(cc1O)OCO2373.41
[s]1c2nc(nc(c2c3c1CCCC3)O)CCl254.74
Clc1c2ncc(c(c2ccc1)O)C(=O)OCC251.67
n1c(c(ccc1c2ncccc2)C#N)O197.2
S(Cc2ccccc2)c1nc(ccn1)O218.28
N(c1cc2c(nc(cc2O)C)cc1)C(=O)C216.24
n1c(c2c(c(c1C(=O)OCC)O)cccc2)O233.22
[N+](=O)([O-])c1ccc(cc1)CC(=O)c2c(cc(cc2)O)O273.25
S(Cc2ccc(cc2)Cl)c1nc(ccn1)O252.72
n1c2c(c(c(c1O)C(=O)OCC)O)cccc2233.22
S(CC(=O)c2ccccc2)c1nc(cc(n1)C)O260.32
S(Cc2ccccc2)c1nnc(nc1O)O235.27
n1c2c(c(nc1O)c3ccccc3)cccc2222.25
S(C)c1[n](c(nn1)c2ccccc2)CCO235.31
S(Cc2c(cccc2)Cl)c1nc(ccn1)O252.72
n1nc(c(nc1O)O)c2ccccc2189.17
S(Cc2ccccc2)c1nnc(nc1SC)O265.36
S(Cc2c(cc(cc2)Cl)Cl)c1nc(ccn1)O287.17
[N+](=O)([O-])c1ccc(cc1)C(=O)C(NC(=O)C)CO252.23
ClCc1nc2c(c(n1)O)cc(c(c2)OC)OC254.67
ClCc1nc2c(c(n1)O)cccc2194.62
Brc1ccc(cc1)NCc2c(cccc2)O278.15
N1c2c(cccc2)C(C1=O)(O)CC(=O)c3ccc(cc3)OC297.31
n1c2c(c(c(c1O)c3ccccc3)O)cccc2237.26
[o]1c2c(c3c1CCCC3)cc(cc2)O188.23
N(c1c(cccc1)O)C=C(C(=O)OCC)C(=O)OCC279.29
[s]1c2c(nc1c3cc(c(cc3)O)OCC)cccc2271.34
Clc1c(c2ncc(c(c2cc1)O)C(=O)OCC)C265.7
Clc1cc2nc([o]c2cc1)c3c(ccc(c3)N)O260.68
[nH]1c2c(nc1NCCCO)cccc2191.23
N3(CCOCC3)c1nc2c(c(n1)O)CCCC2235.29
Nc1nc2nc(c(nc2c(n1)O)c4ccccc4)c3ccccc3315.33
S=C1NCN(CN1)CCCO175.25
N(c1ccc(cc1)O)C=C(C(=O)OCC)C(=O)OCC279.29
[s]1c2c(nc1c3c(ccc(c3)N)O)cccc2242.3
S(CC=C)c1nnc(c(n1)O)C183.23
N2(CCN(CC2)c3ccccc3)c1nc(cc(n1)O)N271.32
N21c3c(cccc3)NC2=C(C(=C(C1=O)CCO)C)C#N267.29
[N+](=O)([O-])c1ccc(cc1)C(=O)CC2(c3c(cccc3)NC2=O)O312.28
ClCc1nc2c(c(n1)O)ccc(c2)C(=O)OC252.66
[N+](=O)([O-])c1c(nc(c(c1COC)C#N)O)C223.19
[N+](=O)([O-])c1c(cc(c(c1)C(=O)C)O)O197.15
Brc1c([n](nc1C)CO)C205.05
Clc1cc2c(cc1O)OC(=O)C=C2CC224.64
Clc1cc2c(cc1O)OC(=O)C(=C2C)Cc3ccccc3300.74
O1c2c(ccc(c2)O)C(=CC1=O)CCCC218.25
O1c2c(c(cc(c2)O)O)C3=C(CCCC3)C1=O232.24
[s]1c2nc(nc(c2c(c1C)C)O)CCl228.7
S(Cc2[n](c3c(c2C(=O)OCC)cc(c(c3)Br)O)C)c1ccccc1420.33
[s]1c2nc(cc(c2c3ncnc(c31)O)C)C231.28
S(Cc3ccccc3)c1nc(cc(n1)c2ccccc2)O294.38
[N+](=O)([O-])c1cc(ccc1)C(=O)CC2(c3c(cccc3)NC2=O)O312.28
S(C)c1[n](nnn1)c2cc(ccc2)O208.24
FC(F)(F)C1=C(C(=O)c3c(cc(cc3)O)O1)c2ccccc2306.24
N1C(C3C(C(C1c4ccccc4)CCC3)O)c2ccccc2293.41
Brc1ccc(cc1)NCC(O)C[n]2c3c(c4c2ccc(c4)Br)cc(cc3)Br553.09
Clc1ccc(cc1)[n]2c3c(c(c2C)[N+](=O)[O-])ccc(c3)O302.72
N(C(c4ccccc4)c2c(c3ncccc3cc2)O)c1ccc(cc1)C340.42
Sc1nc2c(c(n1)O)C(c4c(nc(nc4O)S)O2)c3ccc(cc3)[N+](=O)[O-]403.4
N1(CCN(CC1)c2nc3c(c(n2)O)CCCC3)C248.33
N1C(Nc3c4c(ccc3)cccc41)c2c(cc(cc2)O)O278.31
[N+](=O)([O-])c1c2n[o]nc2ccc1N3CCN(CC3)CCO293.28
[s]1c2c(nc1c3c(cc(cc3)N)O)cc(cc2)N257.32
N4(CCOCC4)c1c(c2c(c(c1)O)C(=O)c3c(cccc3)C2=O)O325.32
S=C1N(C(CC(N1)(C)C)(O)C)CCc2ccccc2278.42
S1\C(=C\c2cc(c(cc2)O)OC)\C(=O)NC1=S267.33
N(CCO)(CCO)c1c(cccc1)N(CCO)CCO284.36
Sc1[n](c(nn1)c3ccc(cc3)O)c2ccccc2269.33
OC1C(CCCC1)CCC(C)C170.3
N(CCCO)c1ncnc2[o]c(c(c21)c4ccccc4)c3ccccc3345.4
[N+](=O)([O-])c1c(c(cc(c1)[N+](=O)[O-])[n]2nnnc2)O252.15
[s]1c(ccc1)C(O)(C3C4CCN(C3)CC4)c2[s]ccc2305.46
[N+](=O)([O-])c1c2n[o]nc2c(cc1)N3CCN(CC3)CCO293.28
N(CCNC(=O)c2c(cccc2)O)C(=O)c1c(cccc1)O300.31
Brc1cc2c([n](c4c2cc(cc4)Br)CC(O)CNc3ccccc3)cc1474.19
[N+](=O)([O-])c1c(ccc(c1)c2nnc(c3c2cccc3)O)N282.26
[P](=O)(OCC)(OCC)C(O)c1cnccc1245.22
O1c2c(ccc(c2)O)c3c(cccc3)C1=O212.2
ClC(Cl)(Cl)C(O)CC(=O)c1ccccc1267.54
N(Cc2c(cccc2)O)c1ccc(cc1)OC229.28
N1(CC(C(CC1)(O)c3ccccc3)C(=O)c2ccccc2)C295.38
n1c2c(c(c(c1)C(=O)OCC)O)ccc(c2)OC247.25
N3(CCCCC3)Cc1c2c(ccc1O)cccc2241.33
S(CCO)CCCCC148.27
FC(F)(F)c1c(c(nc(c1)c2ccccc2)O)C#N264.21
FC(F)(F)c1cc(ccc1)C(O)c2ccccc2252.24
[s]1c(ccc1)C(O)C(=O)c2[s]ccc2224.3
O1C[C@H]([C@@H](C1=O)Cc3cc(ccc3)O)Cc2cc(ccc2)O298.34
FC(F)(F)c1[s]c(c(c1)O)C(=O)OC226.18
[n]1(ncc(c1)C)CCO126.16
N(Cc2ccccc2)c1c(nc(nc1)O)O217.23
[o]1c(c(cc1C)CO)C126.16
O1C(=CC(=O)C(=C1)OC)CO156.14
n1c2c(c(c(c1)C(=O)OCC)O)cccc2OC247.25
Brc1ccc(cc1)C(O)c2ccc(cc2)Br342.03
n1c2[o]ccc2c(c3c1c(c(cc3)OCC(O)C(O)(C)C)OC)OC347.37
[s]1c2c(nc1c3cc(c(cc3)O)[N+](=O)[O-])cccc2272.28
[nH]1c2c(nc1c3ccc(cc3)O)cc(cc2)C224.26
N3(CCCCC3)Cc1c(c2ncccc2cc1)O242.32
S1C(OC(C1)N2C=CC(=NC2=O)N)CO229.26
[N+](=O)([O-])c1ccc(cc1)C2=COc3c(ccc(c3)O)C2=O283.24
[S]1(=O)(=O)CC(C(C1)O)Nc2ccc(cc2)Cl261.73
FC(F)(F)C1=C(C(=O)c3c(cc(cc3)O)O1)Oc2ccccc2322.24
Fc1ccc(cc1)NCCCCO183.23
[s]1cc(cc1)CNCCO157.24
Clc1ccc(cc1)CNCCO185.65
Clc1c(cccc1)C(O)(c3ccccc3)c2ccccc2294.78
N1(C(C(N(C(C1O)O)C=O)O)O)C=O206.16
Brc1cc(c(cc1)N)C(O)c2ccccc2278.15
Nc1cc(c(cc1)c2nc3c([o]2)ccc(c3)N)O241.25
Clc1cc(c(cc1)O)C(=O)CC(=O)c2[o]ccc2264.66
ClC1=C(C(=O)c3c(cccc3)C1=O)Nc2c(cccc2)O299.71
N2(CCOCC2)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C305.46
N2(C(=O)c3c(cccc3)C2=O)c1c(nc(nc1)O)O257.21
[s]1c2c(nc1N)nc(nc2O)O184.18
N(c2cc(ccc2)O)C(=O)C(C)c1ccc(cc1)CC(C)C297.4
N(CC(O)COc1c2c(ccc1)cccc2)(C)C281.7806
Oc1cc2c(c(c1)c3ccccc3)cccc2220.27
N(CCO)c1c2c(ccc1)C(=O)c3c(cccc3)C2=O267.28
Sc1nc(c(c(n1)C)CCC(C)C)O212.32
S(CC(O)CO)c1[nH]c(nc1[N+](=O)[O-])C233.25
N1C(Nc3c4c(ccc3)cccc41)c2ccc(cc2)O262.31
[n]1(c2c(c(c1CNc3ccc(cc3)O)C#N)cccc2)C277.33
[s]1c(nc(c1c2ccccc2)O)C191.25
N1(CCOCCOCCN(CCOCCOCC1)CCO)CCO350.46
Oc1c2c3c(cc1)CCc3ccc2C(=O)C212.25
N(C(c3ccccc3)c1c2c(ccc1O)cccc2)C(=O)C291.35
[s]1c(c(c(c1CO)Cl)Cl)Cl217.5
[n]2(c3c(cc2c4ccccc4)C(CC(C3)(C)C)O)c1ccccc1317.43
Clc1cc(c(cc1)O)CN(C)C275.6855
[n+]1(ccc(cc1)\C=C\c2ccc(cc2)O)C339.175
[N+](=O)([O-])c1c2c([n](c1C)c3ccc(cc3)C)cc(cc2)O282.3
S(Sc2ccc(cc2)O)c1ccc(cc1)O250.34
FC(F)(F)C1=C(C(=O)c3c(cc(c(c3)CC)O)O1)c2ccccc2334.29
Clc1cc2nc(cc(c2cc1)O)C193.63
ClC(Cl)(Cl)C1(OC(=O)c2c1cccc2)O267.49
N(Cc1c(c(cc(c1)C(C)(C)c2cc(c(c(c2)CN(C)C)O)CN(C)C)CN(C)C)O)(C)C456.67
N2(CCOCC2)CCOC(=O)c1ccc(cc1)O251.28
[s]1c(ccc1)c2nnc(c3c2cccc3)O228.27
[n]21c(nnc2c4cc(ccc4)O)c3c(cccc3)CC1(C)C291.35
Nc1nc(c(c(n1)O)N)O178.5806
[nH]1c2c(nc1CCCO)cc(cc2)N264.1513
Clc1c(cccc1)c2[o]c(cc2)CO208.64
Oc1c(c2c(cc1)cccc2)C158.2
[S]1(=O)(=O)N(C(=O)c2c1cccc2)CCO227.24
Cl.N(Cc1c2c([o]c(c2C(=O)OCC)c3ccccc3)ccc1O)(C)C375.85
N(c3cc(ccc3)O)c1ncnc2c1cccc2273.7206
n1c2c(c(cc1C)O)cc(cc2)C(=O)OCC231.25
N4(CCOCC4)c1nc(nc3c1cccc3)Nc2ccc(cc2)O358.8306
N(c3cc(ccc3)O)c1nc2c(c(n1)N)cccc2288.7406
N(c3ccc(cc3)O)c1nc2c(c(n1)N)cccc2288.7406
N(CCO)c1nc(nc3c1cccc3)Nc2c(cccc2)O332.7906
Brc1ccc(cc1)NCc2c3c(ccc2O)cccc3328.21
N#CC(=Cc1cc(c(c(c1)OC)O)OC)C#N230.22
O(CCOc2c(cccc2)O)c1c(cccc1)O246.26
Clc1nc2nc[n](c2c(n1)O)C184.58
N1(C(=O)c2c(cccc2)C1=O)C(CO)CC219.24
[N+](=O)([O-])c1cc2nc([o]c2cc1)O180.12
Brc1c(c(cc(c1)Cl)Cl)O241.9
Brc1c(ccc(c1)c2ccccc2)O249.11
Brc1c(ccc(c1)C(=O)OCC)O245.07
Brc1cc(c(cc1)O)C(=O)OCC245.07
n1c(nc(c(c1O)CCO)C)c2ccccc2230.27
N(CC(O)c2ccccc2)Cc1ccccc1227.31
Fc1ccc(cc1)CN2CCC(CC2)CO223.29
Clc1cc2c(n[o]c2c3ccc(cc3)O)cc1245.66
S(Cc2ccccc2)c1nc(cc(n1)O)N233.29
N4(CCCCC4)CC(O)C[n]1c2c(c3c1CCCC3)cccc2348.9206
Clc1ccc(cc1)C(=O)CC(=O)c2c(ccc(c2)C)O288.73
BrC1=C(c2c(cc(cc2)O)OC1=O)C255.07
FC(F)(F)C1=C(C(=O)c3c(cc(cc3)O)O1)Oc2ccc(cc2)OC352.27
N(Cc2c(c(ccc2)OC)O)c1ccccc1229.28
Brc1cc(c(cc1)O)CNc2cc(cc(c2)Cl)Cl347.04
[n]2(nc(cc2C)C)c1nnc(cc1)O190.2
[n]1(ncc2c1ncnc2NCCO)C193.21
S1C(N(C(=O)C1)CCO)c2c[n](nc2c4ccccc4)c3ccccc3365.46
[nH]1c2c(nc1C(O)Cc3[nH]c4c(n3)cccc4)cccc2278.31
Clc1ccc(cc1)C2c3c(cc(cc3)O)OC(=C2C(=O)OCC)N345.78
Nc1nc(nc(n1)c3ccccc3)c2c(cccc2)O264.29
n1c2c(c(cc1c3ccccc3)O)cc(cc2)C235.29
Brc1c(nc2c(c1O)cccc2OC)C268.11
Clc1cc(cc(c1)Nc2nc(nc(c2)C)c3c(cccc3)O)Cl346.22
[n]2(nc(c4c2ccc(c4)O)c3ccccc3)c1ccccc1286.33
[P](=O)(OCC)(OCC)C(O)c1cc2c(cc1)OCO2288.24
N2(C(=Nc4c(cccc4)C2=O)c3ccccc3)c1cc(ccc1)O314.34
[nH]1nc(nc1c3c(cccc3)O)c2c(cccc2)O253.26
Brc1c2c([o]cc2C(=O)c3ccccc3)cc(c1O)Br396.03
S(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C(=S)OCC340.55
Brc1c(nc(nc1O)O)N206
Oc1c(c(ccc1C(C)(C)C)C(C)(C)C)O222.33
N2(CCOCC2)CCOC(=O)c1c(cc(cc1)O)O267.28
[s]1c2c(nc1C3=Cc4c(cc(cc4)O)OC3=O)cccc2295.32
ClC(Cl)C(NC(=O)C)O172.01
[n]21c3c(nc2N(C(=C1)C(C)(C)C)CCO)cccc3257.34
[s]1c(nc(c1)C2=Cc3c(cc(cc3)O)OC2=O)C259.29
Fc1cc2c([nH]cc2CCCO)cc1193.22
N1(C(CC(CC1(C)C)O)(C)C)CCO201.31
[N+](=O)([O-])c1cc2c(nnnc2O)cc1192.13
Brc1c(c(cc(c1)N=O)Br)O280.9
FC(F)(F)C(O)(C(F)(F)F)c1ccc(cc1)N(C)C(=O)CCl349.66
Fc1cc2c(cc1)NC(=O)C2(O)CC(=O)C223.2
S(CCO)CCCCCCCCCCCC246.46
[S](=O)(=O)(CCO)CCCCCCCC222.35
[nH]1nnc(n1)CCO114.11
OC(C1CC1)(C)C#C110.16
Brc1c2ncnc(c2cc(c1)Br)O303.94
[N+](=O)([O-])c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc2c(cccc2)O348.23
Brc1c(cc(c(c1)OC)OC)c2c(c3c(cc(c(c3)OC)OC)cc2)O419.27
Clc1cc2nc([o]c2cc1[N+](=O)[O-])O214.56
BrC#CC1(CCCCC1)O203.08
S(C)c1cc(c(c(c1)C)O)C168.26
Sc1[n](c(nn1)c2cc(ccc2)O)CC=C233.29
N1(CCOCC1)CC#CC(O)(CC)C197.28
Ic1c(c(cc(c1)[N+](=O)[O-])C=O)O293.02
S1CCN(C1=N)CC(O)c2ccccc2258.7706
BrC1=C(C(=O)OC1O)Br257.87
ClCC1=CC(=O)Oc2c1ccc(c2O)O226.62
S=C1NC(=O)C(=Cc2c(cccc2)O)C(=O)N1248.26
n1nc(c(nc1c4ccc(cc4)O)c3ccccc3)c2ccccc2325.37
[S](=O)(=O)(Nc2c3c(c(cc2)O)cccc3)c1ccccc1299.35
Clc1ccc(cc1)C2c3c(cc(cc3)O)OC(=C2C#N)N298.73
Nc1nc(c(c(n1)O)C=O)N154.13
[n]21c(nc(c2C(=O)C)O)c3c(cccc3)C=C1226.23
[N+](=O)([O-])c1cc2nc(cnc2cc1)O191.15
FC(F)(F)c1n[n](c(c1)c2c(cccc2)O)C242.2
[N+](=O)([O-])c1nc([n](c1NCCO)C)C200.2
N(C(C(O)c1c2c(nc(cc2)O)c(cc1)O)CC)C(C)C326.8206
Oc1ccc(cc1)C2C3CC(C2)CC3188.27
OC1(C(c2c(cccc2)c3c1cccc3)(O)C)C240.3
N1C(C(C(C(C1c4ccccc4)C)(O)c3ccccc3)C)c2ccccc2447.5355
S(CC(O)c3ccc(cc3)Br)c1ncnc2[nH]cnc21351.23
[nH]1c2c(c3c1C(=O)N(C=N3)CCCO)cccc2243.27
Brc1[nH]c2ncnc(c2n1)O215.01
Oc1c(cc(cc1Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O)C(C)(C)C)C(C)(C)C424.67
N(Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)(C)C263.42
Clc1c(c2nc(cc(c2cc1)O)C)C207.66
[nH]1cncc1CCN2C(C(OC2=O)(C)C)(O)C239.27
[n]2(nnc(n2)c3cnccc3)Cc1cc(c(c(c1)C)O)C281.32
O(c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O)c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O426.64
[s]1c(c(cc1)CO)CO144.19
N1(CC(CC1=O)C(=O)OC)CCO187.2
Ic1c(ncc(c1)I)O346.89
Clc1ccc(cc1)C2=C(Oc3c(ccc(c3)O)C2=O)C286.71
Clc1ccc(cc1)C2=COc3c(ccc(c3)O)C2=O272.69
Clc1cc(c(cc1)O)C(=O)\C=C\c2ccc(cc2)Cl293.15
O1c2c(c(cc(c2)O)O)C(=O)C(=C1C(=O)OCC)c3ccc(cc3)OC356.33
Brc1ccc(cc1)C2=COc3c(ccc(c3)O)C2=O317.14
O(C)c1c(ccc(c1)CC(=O)c2c(cc(cc2)O)O)OC288.3
[s]1c2nnnc(c2c3c1CCCC3)O207.26
[N+](=O)([O-])c1n[n](cn1)CC(=O)NCCO215.17
N2(C(=O)c3c4c(ccc3)cccc4C2=O)c1c(cccc1)O289.29
S(Cc2ccc(cc2)Cl)c1nnc(nc1O)O269.71
Oc1c(cccc1C3CCCCC3)C2CCCCC2258.4
[P](=O)(OCC)(OCC)c1cc(ccc1)O230.2
[P](=O)(OCC)(OCC)c1ccc(cc1)O230.2
S(c3ccccc3)c1c2c([n](c1CC(=O)NCCCO)C)cccc2354.47
N2(CCCCC2)C(=O)c1c(cccc1)O205.26
[N+](=O)([O-])c1c(nc2c(c1O)cccc2)O206.16
Sc1[n](c(nn1)c2c(cccc2)O)C207.26
Sc1nc(c(c(n1)c2ccc(cc2)OC)C#N)O259.29
Clc1c(ccc(c1)C[n]2c3c(c(c2)CO)cccc3)Cl306.19
Clc1c(ccc(c1)Cl)OCC(=O)NC(CO)(C)C292.16
S1CC[n]2c1nc(c2)c3ccc(cc3)O218.28
OC(C)(C)C#Cc1ccccc1160.22
[N+](=O)([O-])c1[n](cnc1[N+](=O)[O-])CCO202.13
N1c2c(cccc2)C(=O)N(C1=O)CCO206.2
N2(CCC(CC2)c3ccccc3)C1C(CCCC1)O259.39
Clc1cc(ccc1)CNCCO185.65
N(C)(C)c1ccc(cc1)CNCC(O)C281.2213
N(C(CO)(C)C)Cc1[o]ccc1169.22
S1c2[n](c4c(n2)cccc4)C(C=C1c3ccccc3)O280.35
[N+](=O)([O-])CC1(c2c(cccc2)NC1=O)O208.17
Sc1nnc([o]1)c2cc(ccc2)O194.21
[nH]1c2c(cc1CO)cc(cc2)OC177.2
Nc1cc2c(cc1)ccc(c2)O159.19
n1nc([o]c1c3c(cccc3)O)c2ccccc2238.25
N(C(CO)(CO)CO)CCCCCCCC233.35
N(C(CO)(CO)CO)(CCCCC)CCCCC261.41
[N+](=O)([O-])c1c2n[o]nc2c(cc1)N(CCO)C238.2
ClC(Cl)(Cl)C(NC(=O)OC)O222.45
[N+](=O)([O-])c1cc2c3c(c1)C(=O)N(C(=O)c3ccc2)CCO286.24
FC(F)(F)C(=O)NCC(O)CNC(=O)C(F)(F)F282.14
S1\C(=C\c2cc(ccc2)O)\C(=O)NC1=S237.3
Brc1c(c(cc(c1O)C=O)Br)O295.91
[nH]1c2c(nc1CO)cc(cc2)N163.18
OC(C)(C)C#Cc1ccc(cc1)c2ccccc2236.31
Oc1ccc(cc1)C=C2C(=O)c3c(cccc3)C2=O250.25
[S](=O)(=O)(N2CCN(CC2)Cc3cc(c(c(c3)OC)O)OC)c1ccc(cc1)Cl426.92
[S](=O)(=O)(O)c1nc2c(cc1)cccc2O225.22
[s]1c(ccc1)CC(=O)NCCO185.25
N4(CCCCC4)CC(O)C[n]1c2c(c3c1cccc3)cccc2308.42
N2(CCCC2=O)c1c(cccc1)O177.2
Brc1cc(ccc1)Nc2nc(nc(c2)O)O282.1
Brc1c(c(cc(c1)Br)C(=O)Nc2cc(c(cc2)Cl)C(=O)c3ccc(cc3)Cl)O544.03
Brc1c(c(cc(c1)Br)O)O267.9
Ic1c2c(ccc1O)C(=CC(=O)O2)C302.07
[P](=O)(OCC)(OCC)c1c(cccc1)O230.2
[P](=O)(O)(O)c1c(cccc1)O174.09
[P](=O)(CCCO)(c2ccccc2)c1ccccc1260.27
[S](=O)(=O)(c2c(ccc(c2)O)O)c1ccc(cc1)Cl284.72
N(c2ccc(cc2)O)C(=O)c1ccc(cc1)O229.24
Brc1c2c(nccc2)c(cc1)O224.06
[N+](=O)([O-])c1c(c(cc(c1)C(=O)OC)[N+](=O)[O-])O242.14
[P](=O)(OCC)(OCC)C(O)c1ccc(cc1)Cl278.67
N21C(COC2)(COC1)CO145.16
[n]1(ncc(c1)CO)CC126.16
FC(F)(F)c1n[n](c(c1)O)c2ccccc2228.17
FC(F)(F)c1n[n](c(c1)O)c2ccc(cc2)F246.16
Clc1cc(c(c(c1)CO)O)CO188.61
[S](=O)(C)c1ccc(cc1)O156.21
[N+](=O)([O-])c1cc(cc(c1)C(=O)OC)O197.15
Clc1cc(c(cc1)O)C(=O)Nc2c3c(ccc2)cccc3297.74
Clc1cc(c(cc1)O)C(=O)Nc2cc(ccc2)C#N272.69
[N+](=O)([O-])c1c(c(cc(c1)[N+](=O)[O-])C(=O)OC)O242.14
[S](=O)(=O)(c2c(ccc(c2)Cl)O)c1c(ccc(c1)Cl)O319.16
[N+](=O)([O-])c1cc(c(cc1)O)NC(=O)COc2ccccc2288.26
Fc1ccc(cc1)C(=O)Nc2c(ccc(c2)C)O245.25
Clc1c(cccc1)CNC(CO)(C)C213.71
O(Cc2ccccc2)c1c(cccc1CO)OC244.29
N(C(=O)c2c(cccc2)O)C(=O)c1ccccc1241.25
S=C(N2CCOCC2)c1cc(c(c(c1)OC)O)OC283.35
N1(C(=O)N(C(=O)C(=Cc2ccc(cc2)O)C1=O)C)C260.25
Fc1ccc(cc1)C(=O)CC2(c3c(cccc3)NC2=O)O285.27
N1c2c(cccc2)C(C1=O)(O)CC(=O)CC3(c4c(cccc4)NC3=O)O352.35
N1c2c(cc(cc2)C)C(C1=O)(O)CC(=O)c3ncccc3282.3
N1c2c(cc(cc2)C)C(C1=O)(O)CC(=O)c3ccccc3281.31
Clc1c(c(c(cc1C)O)N)C171.63
[N+](=O)([O-])c1ccc(cc1)C[n]2c3c(c(c2)CO)cccc3282.3
Clc1ccc(cc1)C[n]2c3c(c(c2C)CO)cccc3285.77
Brc1c(cc(c(c1)OCc2ccccc2)OC)CO323.19
O(C)c1c(c(cc(c1)C=O)CC=C)O192.21
Clc1ccc(cc1)C(=O)CC2(c3c(cccc3)NC2=O)O301.73
Brc1c(c(cc(c1O)c2c(c(c(c(c2)Br)O)Br)O)Br)O533.79
N1(C(=O)N(C(=O)C(=Cc2cc(c(cc2)O)OC)C1=O)C)C290.28
N2(C(c4c(cccc4)C2=O)(O)Cc3ccccc3)Cc1ccccc1329.4
Brc1ccc(cc1)CNCCCO280.5906
S1c2c(ccc(c2)O)OC1=O168.17
Fc1c(cccc1)CNC(CO)(C)C197.25
Ic1c(c(cc(c1O)I)I)O487.8
[s]1c(ccc1C)CNC(CO)CC235.7806
[s]1c(ccc1)CNC(CO)CC221.7506
Clc1ccc(cc1)CNC(CO)(C)C250.1706
N(CC(O)COc1ccccc1)CCCC223.32
N(C(C)(C)C)CC(O)COc1ccccc1223.32
N1(CCN(CC1)CCC#N)CCO183.25
Clc1ccc(cc1)CC(=O)Nc2c(cc(cc2)[N+](=O)[O-])O306.71
N1c2c(cccc2)C(C1=O)(O)C3CCc4c(cccc4)C3=O293.32
Clc1cc(c(cc1)O)NC(=O)c2c(cccc2)OCC291.73
n1nc(nnc1c3ccc(cc3)O)c2ccc(cc2)O266.26
[N+](=O)([O-])c1cc(c(c(c1)C=O)O)C181.15
Brc1cc2c(cc1)NC(=O)C2(O)CC(=O)c3ccccc3346.18
n1c2c(c(cc1O)C)cc(cc2C)C187.24
ClCC1=CC(=O)Oc2c1ccc(c2)O210.62
[N+](=O)([O-])c1ccc(cc1)Oc2cc3c(cc2)C(=O)N(C3=O)CCCO342.31
N2(CCOCC2)CC(O)COc1ccc(cc1)C(=O)CC293.36
S(CC)c1nc(cc(n1)O)N171.22
N(c2c(nc(nc2C)O)O)C(=O)c1ccccc1245.24
N1c2c(cccc2)C(C1=O)(O)CC(=O)c3ccc(cc3)C281.31
N2(C(=O)c3c(cccc3)C2=O)c1cc(ccc1)O239.23
Clc1cc(c(cc1)[N+](=O)[O-])NCCO216.62
[nH]1c2c(nc1Nc3nc(cc(n3)C)O)cccc2241.25
Clc1cc2c(nc(c(c2c3ccccc3)C(=O)C)O)cc1297.74
[n]2(ncc3c2ncnc3O)Cc1ccccc1226.24
Brc1cc(c(cc1)O)CN2CCN(CC2)Cc3ncccc3452.3055
Brc1cc2c(cc1)NC(=O)C2(O)CC(=O)c3cc4c(cc3)OCO4390.19
[s]1c2nc(nc(c2c4c1CCCC4)O)c3ccccc3282.37
[n]2(c3c(nc2C(O)C)cccc3)Cc1ccccc1252.32
Fc1ccc(cc1)C(=O)NC(CO)(C)C211.24
Brc1c(c(cc(c1)Br)CO)OC295.96
Clc1c(cc(cc1)Cl)NC(=O)c2c(cccc2)O282.13
[s]1c(nc(c1)c3cc(c(cc3)O)O)Nc2ncccn2286.31
[N+](=O)([O-])c1cc(c(c(c1)C=O)O)OCC211.17
O(CC(O)CO)c1c(cc(cc1)CC=C)OC238.28
Brc1cc2c(nc(cc2O)C)cc1238.08
N1C(C(NC1=O)O)O118.09
O1COc2c1cc(cc2)C3C(C(CC(=O)C3C(=O)OCC)(O)C)C(=O)OCC392.41
N4(CCOCC4)Cc1c(c(cc(c1)CN3CCOCC3)CN2CCOCC2)O391.51
[nH]1c(nc(c1c4ccccc4)c3ccccc3)c2cc(ccc2)O312.37
O(C)C(=O)c1cc2c(c(c1O)C=O)cccc2230.22
S(CC(=O)c3cc(c(cc3)O)O)c1nc(cc(c1C#N)c2[o]ccc2)C366.4
Brc1cc2c(ncc(c2O)C(=O)OCC)cc1296.12
N21C(COC2c4ccccc4)(COC1c3ccccc3)CO297.35
[n]2(c3c(nc2c4c(cccc4)O)cccc3)Cc1c(cccc1)O316.36
Brc1cc2c(cc1)NC(=O)C2(O)Cc3ncccc3319.16
Brc1cc2[o]c(c(c2cc1O)C(=O)OCC)C299.12
S(c2c(c(cc(c2)Cl)Br)O)c1c(c(cc(c1)Cl)Br)O444.96
Clc1c(cccc1)C(=O)Nc2cc(ccc2)O247.68
ClC1=C(C(=O)NC1O)Cl167.98
Fc1c(nc(nc1)SCC)O174.2
S=C1NC(C=C(N1c2c(cccc2)O)C)(C)C248.35
n1c(nc(cc1C)c2ccccc2)O186.21
N1(N(C(CC1)O)C=O)C(C)C158.2
N2(C(c3c(cccc3)C2=O)O)c1ccccc1225.25
N2(CCC(CC2)(O)c3ccccc3)Cc1ccccc1267.37
N(c1nc(cc(n1)C)O)C#N150.14
N#Cc1c(c(ccc1)O)O135.12
[s]1c2c(nc1O)ccc(c2)C165.22
N#CC(=Cc1cc(ccc1)O)C#N170.17
Clc1cc2nc([nH]c2cc1)C(O)C196.64
[n]2(c3c(nc2O)cccc3)Cc1ccccc1224.26
S=C(N(C)C)c1ccc(cc1)O181.26
Clc1c(ccc(c1)Cl)CN(CCO)Cc2ccccc2310.22
Clc1cc(c(c(c1)Cc3c(ccc(c3)Cl)O)O)Cc2c(ccc(c2)Cl)O409.7
N2(C(=O)CCC2=O)OC(=O)CCc1ccc(cc1)O263.25
FC(F)(F)c1nc(cc(n1)O)O180.09
[n]2(c(nnc2)O)c1ccccc1161.16
[s]1c(ccc1)C(O)C128.19
Oc1ccc(cc1)C(=O)C(CC)c2ccccc2240.3
[N+](=O)([O-])C([N+](=O)[O-])(CO)CO166.09
Clc1cc2nc(c(nc2cc1Cl)O)O231.04
NCC(O)c1cnccc1138.17
Brc1cc2ncc(c(c2cc1)O)C(=O)OCC296.12
[nH]1nc(cc1)O84.08
ClC1=C(c2c(cc(cc2O)O)OC1=O)C226.62
FC(F)(F)c1cc2c(ncc(c2O)C(=O)OCC)cc1285.22
Brc1cc2c(ncnc2NCCO)cc1268.11
N4(CCOCC4)Cc1c2c(c(c(c1O)O)CN3CCOCC3)cccc2358.44
Fc1c2c(c(c(c1F)F)F)c(c(c(c2F)F)F)O270.11
N21CC(C(CC2)CC1)(O)C#N152.2
Clc1ccc(cc1)C(O)C2CCCCC2=O238.71
S(C)c1nnc(nc1O)O159.17
O1C(CC(=O)c3c1c(c(cc3O)O)CC=C(C)C)c2ccccc2324.38
N1(C(C3C(C(C1c4ccccc4)CCC3)O)c2ccccc2)C307.44
N4(CCOCC4)c1nc(nc3c1cccc3)c2c(cccc2)O307.35
Fc1ccc(cc1)OCC(=O)c2c(cc(cc2)O)O262.24
n1c(cccc1)C2(c3c(cccc3)c4c2cccc4)O259.31
[P](=O)(OCC)(OCC)C(O)(C)c1ccccc1258.25
N(c2c(nc(nc2)O)O)c1ccc(cc1)OC233.23
[s]1c(ccc1)C(=O)C(O)c2c3c([nH]c2)cccc3257.31
Brc1ccc(cc1)c2nc([nH]c2c4ccccc4)c3ccc(cc3)O391.27
N(CCCCCCNCc2c(cccc2)O)Cc1c(cccc1)O328.45
[N+](=O)([O-])CC(O)(c2ccccc2)c1ccccc1243.26
[N+H]1(C2[C@H]3C(CC1)(CCCC3)c4c(ccc(c4)O)C2)C.[O-]C(=O)C(O)C(O)C(=O)O407.46
O(C)C(=O)c1c(ccc(c1)C(=O)OC)O210.19
[N+](=O)([O-])c1cc2ncnc(c2cc1)O191.15
Clc1cc2nc([nH]c2cc1)O168.58
N1(CCc2c(ccc(c2)O)C1)C(=O)OC(C)(C)C249.31
Brc1c(c(ccc1)O)O189.01
OC(C)c1c(cccc1)c2ccccc2198.26
Brc1c(c(cc(c1)Br)C(C)(C)C)O308.01
Nc1c2[o]c(nc2ccc1)O150.14
[s]1c2c(nc(nc2O)S)cc1184.24
Nc1nc(ncc1CO)C139.16
O(C1CC(CCC1)O)C130.19
[nH]1nc(c(c1C)C)O112.13
[nH]1c(nnc1O)N100.08
FC1=C(c2c(cc(cc2)O)OC1=O)C194.16
[N+](=O)([O-])c1c(ccc(c1)C(=O)c2ccccc2)O243.22
FC(F)(F)c1cc(cc(c1)C(=O)Nc2c(cccc2)O)C(F)(F)F349.23
Clc1cc(ccc1)NC(=O)c2c(ccc(c2)Cl)O282.13
N(C)(C)c1ccc(cc1)NC(=O)c2c(cccc2)O256.3
N(CCO)c1ncnc2c1cccc2189.22
Brc1ccc(cc1)NC(=O)c2c(cccc2)O292.13
N(c2c3c(ccc2)cccc3)C(=O)c1c(cccc1)O263.3
ClC(Cl)(Cl)C(O)Cc1ccncc1240.52
[S](=O)(=O)(c2cc(c(c(c2)Cl)O)Cl)c1cc(c(c(c1)Cl)O)Cl388.05
ClC(Cl)(Cl)C(NC(=O)C=C)O218.47
Clc1cc(c(cc1)O)C(=O)CC184.62
[s]1c2c(nc1C(O)C)cccc2179.24
N2(CCN(CC2)c3c(cccc3)OC)CC(O)COc1ccccc1342.44
N3(CCCCC3)C(=O)c1cc2c(cc1O)cccc2255.32
[s]1c2nc(nc(c2c4c1CCCC4)O)NCc3ccccc3311.41
N(Cc1cc(c(c(c1)C(C)C)O)C(C)C)(C)C235.37
Brc1[n](c(nc1Br)CO)C269.92
Sc1nc(c(cn1)CN2CCOCC2)O227.29
n1c2c(c(nc1)O)cc(c(c2)OC)OC206.2
[N+](=O)([O-])c1ccc(cc1)C(=O)CO181.15
Brc1c(nc(nc1O)N)N205.01
N(c2nc(ccn2)O)c1ccc(cc1)C#N212.21
n1c2c(cc(c1O)c3ccccc3)ccc(c2)OC251.28
n1[o]c2c(c1O)ccnc2136.11
n1c(cc(c(c1)OC)O)CO155.15
Sc1nc(c(cn1)CN2CCCCC2)O225.31
Brc1cc(c(cc1)C(=O)CC)O229.07
Brc1ccc(cc1)C(=O)NCCO244.09
FC(F)(F)c1cc(ccc1)c2cnc(c(c2)C#N)O264.21
Fc1c(cc(c(c1)Cl)O)N161.56
[N+](=O)([O-])c1cc2[n](ncc2cc1)CCO207.19
ClCc1c2c(nccc2)c(cc1)O.Cl230.09
Oc1c(cc(cc1C(C)(C)C)C=C2C(=O)c3c(cccc3)C2=O)C(C)(C)C362.47
[n]2(c(nnc2)O)c1ccc(cc1)C175.19
Oc1ccc(cc1)CCc2ccc(cc2)O214.26
ClCc1nc(nc(c1)O)C158.59
[s]1c(nnc1c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)S322.5
N4(CCCC4)C(c3c(ccc(c3)OC)OC)c1cc2c(cc1O)OCO2357.41
n1nc(cc3c1c4c(cccc4)C3=O)c2ccc(cc2)O274.28
n1c2c(c(nc1c4c(cccc4)O)C)Cc3c(cccc3)O2290.32
[n]2(nc3c(n2)cccc3)c1c(ccc(c1)CCO)O255.28
Fc1ccc(cc1)c2nnc(cc2)O190.18
Clc1ccc(cc1)[n]2nnnc2O196.6
Clc1c(ccc(c1)Cl)Oc2ccc(cc2)O255.1
Fc1c(cccc1)OC2=COc3c(ccc(c3)O)C2=O272.23
[nH]1c2c(nc1O)ccc(c2)NC(=O)c3cc4c(cc3O)cccc4319.32
N(C(C)(C)C)c1nc(nc(n1)O)NCC211.27
FC(F)(F)c1nc2c(c(c1)O)cc(cc2)F231.15
[N+](=O)([O-])c1c(ccc(c1)C(C)(C)c2cc(c(cc2)O)[N+](=O)[O-])O318.29
O[C@@]1([C@@]2([C@H]([C@H]3[C@@H]([C@H]4CCCC=C4CC3)CC2)CC1)C)CC=C300.48
[nH]1nc(c2c1nc(cc2C)C)O163.18
N(C)(C)c1nc(c(c(n1)C)C)O167.21
Oc1ccc(cc1)C(CCC)C164.25
OC1Cc2c(c(cc(c2)O)O)C(=O)C1194.19
FC(F)(F)C(O)c1ccc(cc1)Cl210.58
O(C)c1cc(cc(c1)\C=C\c2ccccc2)O226.27
[N+](=O)([O-])c1c(cccc1O)[N+](=O)[O-]184.11
[P](=O)(OCC)(OCC)CN(CCO)CCO255.25
S(CCO)c1[nH]c2c(n1)cccc2194.26
[S](=O)(=O)(c2ccc(cc2)O)c1ccccc1234.28
Clc1cc(c(cc1)O)CC=C168.62
N(c1nc(cc(n1)O)O)C#N152.11
[N+](=O)([O-])c1cc(c(cc1)Nc2ccc(cc2)O)N245.24
ClCCN(CCCl)c1c(nc(nc1C)O)O266.13
Fc1c(c(c(c(c1F)F)CCO)F)F212.12
OC(CCc2ccccc2)c1ccccc1212.29
O(CC)C(=O)CC(O)(C)c1ccccc1208.26
Brc1c(nc(c(c1)Br)C)O266.92
n1c2c(ncc1)ccc(c2)O146.15
ClCC(=O)c1c(c(c(cc1)OC)OC)O230.65
[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])OCCO228.16
ClCc1cnc(c(c1CO)O)C187.63
[s]1c(ccc1)C2(CCNCC2)O183.27
n1c(c(ccc1O)C#N)O136.11
S(CC=C)c1nnc(nc1O)O185.21
N4(CCCCC4)C(c3ccccc3)c1c2c(ccc1O)cccc2317.43
O(c2cc(ccc2)Oc3ccccc3)c1cc(ccc1)O278.31
Brc1cc2c(cc1O)CCC3C4C(C(CC4)O)(CCC32)C351.28
S1\C(=C\c2c(cccc2)O)\C(=O)NC1=S237.3
[nH]1c(ncc1)O84.08
n1c2c(c(cc1)O)cc(cc2)C159.19
Clc1ccc(cc1)OC2=COc3c(ccc(c3)O)C2=O288.69
FC(F)(F)c1cc(cc(c1)C(F)(F)F)NC(=O)c2c(ccc(c2)Cl)O383.68
O1c2c(c(cc(c2)OC)O)C(=O)C(=C1)c3ccc(cc3)O284.27
N1(C(=O)C(CC1=O)O)C129.12
N1(CCNCC1)CC(O)C144.22
[N+](=O)([O-])c1c2c(c(cc1)O)C(=O)c3c(c(ccc3[N+](=O)[O-])O)C2=O330.21
O(CC(O)CO)c1cc(cc(c1)C)C196.25
Fc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]202.1
Clc1cc(c(cc1)O)NC(=O)C185.61
Fc1c(cccc1)OCC(O)CN2CCN(CC2)c3ccccc3403.3213
[nH]1nc(nc1c3ccccc3)c2c(cccc2)O237.26
Clc1cc2c(nc3c(c2O)cccc3)cc1229.67
N(CCCO)c1nnc(c3c1cccc3)c2ccccc2279.34
O1C([C@H]([C@@H](C1)O)O)O120.11
S(CCO)C1=C(C(=O)c2c(cccc2)C1=O)SCCO310.39
Clc1c2c(c(cc1)O)C(=O)CC2C196.63
Brc1cc(c(c(c1)CO)O)CO233.06
N2(C(=O)c3c(cccc3)C2=O)CC(=O)c1c(cc(cc1)O)O297.27
[N+](=O)([O-])c1c(c(cc(c1)C(=O)C)OC)O211.17
Clc1c(cccc1)C(O)c2ccc(cc2)Cl253.13
N(CC(O)COc1ccc(cc1)N)(C)C210.28
n1nc([o]c1O)c2[o]ccc2152.11
[n]1(nc(cc1c3ccccc3)c2ccccc2)CCO264.33
Clc1cc(ccc1)N2CCN(CC2)CCCO254.76
Fc1ccc(cc1)C(O)CCCN2CCN(CC2)c3ncccc3329.42
N(CCO)C(=O)c1cc(c(c(c1)OC)OC)OC255.27
[nH]1c(nc(c1c4ccccc4)c3ccccc3)c2c(cccc2)O312.37
FCC(=O)[C@@]1(C2(C(C3C(C4(CCC(=O)C=C4[C@H](C3)C)C)C(C2)O)CC1)C)O378.48
F[C@@]21C(C4C(C(CC4)(O)C(=O)COC(=O)C)(CC2O)C)CCC3=CC(=O)CCC31C422.49
Brc1cc(cc(c1)C(=O)O)[N+](=O)[O-]246.02
Brc1c(ccc(c1)[N+](=O)[O-])C(=O)O246.02
S1[C@H]2N(C(=C(C1)C=C)C(=O)O)C(=O)[C@H]2N226.26
BrCCCCCCCCCC(=O)O251.16
Clc1c(c(ccc1)C(=O)O)C170.6
S(CCC(=O)O)C(c3ccccc3)(c2ccccc2)c1ccccc1348.47
Ic1c(cc(cc1)C(=O)O)C262.05
Ic1c(cc(cc1)Br)C(=O)O326.92
Brc1c(cc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]291.01
Fc1c(ccc(c1C(=O)O)F)[N+](=O)[O-]203.1
Fc1c(ccc(c1)C(=O)O)[N+](=O)[O-]185.11
Fc1c(ccc(c1)C(=O)O)N155.13
[s]1c(ncc1C(=O)O)C143.17
Fc1c(c2c(cc1F)C(=O)C(=CN2C3CC3)C(=O)O)OC295.24
Fc1c(cc(c(c1)C(=O)O)F)[N+](=O)[O-]203.1
Clc1cc(ccc1)C(N)C(=O)O185.61
Brc1ccc(cc1)CCCC(=O)O243.1
Clc1c(c(ccc1)C(=O)O)C(=O)O200.58
Clc1c(c(ccc1)Nc2ncccc2C(=O)O)C262.7
BrCC(C)C(=O)O167
[N+](=O)([O-])c1cc2c(cc1)C(=O)N(C2=O)CC(=O)O250.17
n1c2c(c(c(c1)C(=O)O)O)ccc(c2)OC219.2
Brc1c(cc(c(c1)C(=O)O)Br)C(=O)O323.93
N2(CCN(CC2)C(=O)c3c(cccc3)C(=O)O)c1ccccc1310.35
N2(C(=O)c3c(cccc3)C2=O)c1cc(c(cc1)C(=O)O)O283.24
Clc1ccc(cc1)NC(=O)CCCC(=O)O241.67
Clc1c(ccc(c1)Cl)C(=O)Nc2ccc(cc2)C(=O)O310.14
Brc1ccc(cc1)c2nc3c(c(c2)C(=O)O)cccc3328.16
[nH]1c2c(c3c1C(CCC3)C(=O)O)cc(cc2)C229.28
S(CCC(=O)O)c1ccc(cc1)[N+](=O)[O-]227.24
[S](=O)(=O)(CCC(=O)O)c1ccc(cc1)C228.27
Nc1cc(ccc1)Oc2cc(c(cc2)C(=O)O)C(=O)O273.25
[N+](=O)([O-])c1cc(ccc1)Oc2cc(c(cc2)C(=O)O)C(=O)O303.23
S1C2(NC(C1)C(=O)O)CCCCC2201.29
N(c2cc(c(cc2)C)C)C(=O)c1c(cccc1)C(=O)O269.3
N(c2c(cccc2)OC)C(=O)c1c(cccc1)C(=O)O271.27
N(CC(=O)O)C(=O)c1cc(c(c(c1)OC)OC)OC269.25
FC(F)(F)c1cc(ccc1)NC(=O)CCC(=O)O261.2
[N+](=O)([O-])c1cc(ccc1)NC(=O)CCC(=O)O238.2
FC(F)(F)c1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O309.24
S(C)c1ncc(cn1)C(=O)O170.19
[nH]1nc(cc1C(=O)O)CCC154.17
Fc1ccc(cc1)[n]2nnc(c2C)C(=O)O221.19
FC(F)(F)c1nc(nc(c1)c2ccccc2)SCC(=O)O314.29
Fc1c2c(c(c(c1N4CC(NC(C4)C)C)F)F)C(=O)C(=CN2C3CC3)C(=O)O395.38
N3(CC(CC3=O)C(=O)O)c1cc2c(cc1)OCO2249.22
[nH]1nc(cc1C(=O)O)c2c(cccc2)C202.21
S(C(C)C(=O)O)c1[nH]c2c(n1)cc(cc2)Cl256.71
N2(CCOCC2)c1nc(c(cn1)C(=O)O)C223.23
Fc1c(cccc1)CN2CCC(CC2)C(=O)O237.27
Clc1c(cccc1NC(=O)CC(=O)O)Cl248.06
FC(F)(F)c1cc(ccc1)OCCCC(=O)O248.2
Fc1c(ccc(c1)N2CC(CC2=O)C(=O)O)C237.23
Clc1cc(c(cc1)NC(=O)COc2ccccc2)C(=O)O305.72
N(c1c(cc(c(c1)OC)OC)C(=O)O)C(=O)C(CC)CC295.34
n1c2c(c(cc1c3ccc(cc3)C(C)(C)C)C(=O)O)cccc2305.38
Clc1c(ccc(c1)c2nc3c(c(c2)C(=O)O)cccc3)Cl318.16
S(CCC(=O)O)Cc1ccc(cc1)[N+](=O)[O-]241.27
[N+](=O)([O-])c1ccc(cc1)C(C)(C)C(=O)O209.2
FC(F)(F)C1=CC(=Nc3[n]1nc(c3Br)C(=O)O)c2ccccc2386.13
Fc1c(cc(cc1)N2CC(CC2=O)C(=O)O)Cl257.65
Ic1c(c(cc(c1)C(=O)O)I)O389.92
N(c2cnccc2)C(=O)Cc1c(cccc1)C(=O)O256.26
[s]1c(ccc1)C(=O)c2c(cccc2)C(=O)O232.26
N1(CCOCC1)C(=O)CCC(=O)O187.2
[s]1c(nc(c1c2ccccc2)C(=O)O)C219.26
S(CC(=O)O)c1[nH]c2ncnc(c2n1)N225.23
N(c1ccc(cc1)C(=O)O)C(=O)CCCC(=O)O251.24
FC(F)(F)C1=CC(=Nc3[n]1nc(c3)C(=O)O)c2ccc(cc2)F325.22
[s]1c2c(c(c1C(=O)O)Cl)ccc(c2)Cl247.1
Fc1cc2c(ncc(c2O)C(=O)O)cc1207.16
N2(C(=O)CCC2=O)c1ccc(cc1)C(=O)O219.2
[s]1c(nc(c1CC(=O)O)c3[s]ccc3)c2ccccc2301.39
N(CC2(CCOCC2)c1ccccc1)C(=O)CCC(=O)O291.35
[N+](=O)([O-])c1c(ccc(c1)N)C(=O)O182.14
[s]1c(nc(c1C(=O)O)C)c2ccc(cc2)OC249.29
S(CC(=O)O)c1n[nH]c(n1)CC187.22
[s]1c(nc(c1)CC(=O)O)c2cc(ccc2)Cl253.71
S(CC(=O)O)c1n[nH]c(n1)C173.2
n1c2c(c(c(c1)C(=O)O)O)ccc(c2)C(=O)O233.18
S(CC(=O)O)C(=S)N1CCOCC1221.3
FC(F)(F)c1cc2c([s]c(c2)C(=O)O)cc1246.21
[s]1c2c(cc1C(=O)O)cccc2Cl212.66
N1(c2c(cccc2)OCC1=O)CC(=O)O207.19
Clc1ccc(cc1)c2nc3c(c(c2)C(=O)NCC(=O)O)cccc3340.77
N(c2cnc3c(c2)cccc3)C(=O)Cc1c(cccc1)C(=O)O306.32
Nc1c2c(ccc1C(=O)O)C(=O)c3c(cccc3)C2=O267.24
[N+](=O)([O-])c1c([nH]nc1CC(C)C)C(=O)O213.19
n1c(c(c(cc1C)C(=O)O)C#N)O178.15
S(C(C)C(=O)O)C(=S)N1CCOCC1235.33
Clc1c([n](nc1C)Cc2c(ccc(c2)C(=O)O)OC)C294.74
Nc1nc(c(c(n1)C)CCC(=O)O)O197.19
[s]1c(nc(c1CC(=O)O)c2ccccc2)N234.28
N(c1c2c(ccc1)cccc2)C(=O)CCC(=O)O243.26
S(CC(=O)O)c1nc(cc(n1)N)N200.22
O(C2CCCC2)c1ccc(cc1)C(=O)O206.24
[n]2(c(ccc2C)C)c1cc(c(cc1)C(=O)O)O231.25
Clc1c2c(nccc2)c(cc1)OCC(=O)O237.64
Fc1c(ccc(c1)F)[n]2ncc(c2N)C(=O)O239.18
[S](=O)(=O)(CC(=O)O)c1cc(c(cc1)Cl)Cl269.1
n1c2c(c(c(c1)C(=O)O)O)cc(cc2)CC217.22
Clc1c(cccc1)c2[o]c(cc2)C(=O)O222.63
n1c2c3c(ccc2c(c(c1)C(=O)O)O)cccc3239.23
[n]1(cncc1)CCCC(=O)O154.17
Clc1cc2[n](c(cc2cc1)C(=O)O)C209.63
Clc1c(cc(cc1)N2CCCC2)C(=O)O225.67
FC(F)(F)c1cc(ccc1)N2CC(CC2=O)C(=O)O273.21
[S](=O)(=O)(N(CC(=O)O)C)C167.19
Brc1c([nH]nc1C(=O)O)C205.01
Clc1c2c(ccc1)C(=O)C(=CN2CC)C(=O)O251.67
[n]21nccc2N=CC3=C1C=CN(C3=O)CCC(=O)O258.24
Clc1c2ncc(c(c2cc(c1)Cl)O)C(=O)O258.06
O(C(C)C)c1ccc(cc1)CCC(=O)O208.26
Clc1cc2nc([nH]c2cc1)CCC(=O)O224.65
Clc1c2ncc(c(c2ccc1)O)C(=O)O223.62
Fc1ccc(cc1)c2nc3c(c(c2)C(=O)O)cccc3267.26
Clc1cc2c(ncc(c2O)C(=O)O)cc1223.62
[S]1(=O)(=O)CC(CC1)C(=O)O164.18
Fc1ccc(cc1)c2[s]c(c(n2)C)C(=O)O237.25
S1C(NC(C1)C(=O)O)c2c(cccc2)O225.27
Clc1ccc(cc1)c2nc(c(cc2)C(=O)O)O249.65
Fc1ccc(cc1)N2c3c(cc(c(c3)N4CCNCC4)F)C(=O)C(=C2)C(=O)O.Cl421.83
S1C(NC(C1)C(=O)O)c2cc(c(c(c2)OC)OC)OC299.35
Clc1c(cccc1)N2CC(CC2=O)C(=O)O239.66
n1c(c(ccc1c2ccc(cc2)OC)C(=O)O)O245.23
N(CC(=O)O)c1nnc(nc1O)O186.13
N2(N=C(C=CC2=O)C(=O)O)c1ccccc1216.2
N1(C(=NC(=CC1=O)C)N)CCC(=O)O197.19
Clc1ccc(cc1)N2CC(CC2=O)C(=O)O239.66
Clc1c(cc(cc1)[n]2nc(cc2C)C)C(=O)O250.68
[n]2(nnnc2)c1c(cccc1)C(=O)O190.16
N(c2ccc(cc2)C(=O)O)C(=O)c1ccc(cc1)OC271.27
[s]1c2ncnc(c2c(c1C)C)SCC(=O)O254.33
[N+](=O)([O-])c1cc(c(cc1)c2[o]c(cc2)C(=O)O)C247.21
N(CC(=O)O)C=C(C(=O)OCC)C(=O)OCC245.23
S(CC(=O)O)c1[n](cnc1[N+](=O)[O-])C217.21
N(c1ccc(cc1)c2nc3c(c(c2)C(=O)O)cccc3)C(=O)C306.32
[N+](=O)([O-])c1cc2c([nH]c(c2c3ccccc3)C(=O)O)cc1282.26
Clc1ccc(cc1)C(=O)NC(Cc2c3c(nc(c2)O)cccc3)C(=O)O370.79
S(CC(=O)O)c1nc2c([o]1)cccc2209.23
Ic1cc2c(ncc(c2O)C(=O)O)cc1315.07
[N+](=O)([O-])c1cc2c(cc1)OC(=O)C(=C2)C(=O)O235.15
[N+](=O)([O-])c1cc2c(cc1C(=O)O)OCCO2225.16
[N+](=O)([O-])c1c(c(cc(c1)C(=O)O)[N+](=O)[O-])N2CCOCC2297.22
N1(C(=O)c2c(ccc(c2)C(=O)O)C1=O)CCC(C)C261.28
N1(C=CC(=O)NC1=O)CCC(=O)O184.15
Clc1c(cc(cc1)C(=O)O)c2[o]c(cc2)C=C3C(=O)NC(=O)NC3=O360.71
OC(=O)C1C(C1)c2ccc(cc2)C(C)(C)C218.3
[n]1(c2c(c3c1cccc3)cccc2)CCC(=O)O239.27
N(c2cc(ccc2)C(=O)O)C(=O)C1CCCC1233.27
Fc1c(c3c4c(c1)C(=O)C(=CN4CCS3)C(=O)O)N2CCN(CC2)C.Cl399.87
[N+](=O)([O-])c1cnc(cc1)N2CCC(CC2)C(=O)O251.24
Clc1c(cccc1c2[o]c(cc2)C(=O)O)Cl257.07
[N+](=O)([O-])c1c([n](nc1C)C)C(=O)O185.14
O1c2c(ccc(c2C)OC(C)C(=O)O)C(=CC1=O)CCC290.32
S(CC(=O)O)c1[n](nnn1)c2ccccc2236.25
n1c2c(c(cc1c3ccc(cc3)OC)C(=O)O)cccc2279.3
Clc1cc2c(nc(cc2C(=O)O)c3ccc(cc3)C)cc1297.74
[s]1nc(c(n1)C(=O)O)NCCCl207.64
S(CC(=O)O)c1c(c2n[o]nc2c(c1)Cl)[N+](=O)[O-]289.66
Clc1c(c(cc(c1)[N+](=O)[O-])Cl)c2[o]c(cc2)C(=O)O302.07
Nc1cc(ccc1)c2nc3c(c(c2)C(=O)O)cccc3264.28
[N+](=O)([O-])c1cc(ccc1)c2nc3c(c(c2)C(=O)O)cccc3294.27
N(c3c(cccc3)C(=O)O)C(=O)C1=Cc2c(cccc2)OC1=O309.28
Clc1c2nc(cc(c2ccc1)C(=O)O)c3ccccc3283.71
N1(C(=O)N(C(=O)NC1=O)CCC(=O)O)CCC(=O)O273.2
Clc1cc2c(nc(cc2C(=O)O)c3ccccc3)cc1283.71
SCCC(=O)N1C(CCCC1C(=O)O)C231.32
N2(C(=O)c3c(cccc3)C2=O)c1c(ccc(c1)C(=O)O)C281.27
Clc1cc2c([nH]c3c2CCCC3C(=O)O)cc1249.7
FC1=CN(C(=O)NC1=O)CC(=O)O188.12
[N+](=O)([O-])c1n[n](c(c1[N+](=O)[O-])C)CC(=O)O230.14
[N+](=O)([O-])c1c([nH]nc1C(=O)O)C(=O)O201.1
Fc1cc2c(nc(cc2C(=O)O)c3ccccc3)cc1267.26
Brc1ccc(cc1)c2nc3c(c(c2)C(=O)O)cc(cc3)Cl362.61
OC(=O)C\C(=C\C(=O)O)\C144.13
Fc1c(cccc1)NC(=O)c2c(cccc2)C(=O)O259.24
S(CCCCCCCCCCCC)CCC(=O)O274.47
S(CC(=O)O)c1c2c3c(cc1)c4c(cccc4)C(=O)c3ccc2320.37
Brc1c(c(ccc1)C(=O)O)O217.02
OC(=O)CCC(=O)c1ccc(cc1)CCCC234.3
[N+](=O)([O-])c1cc2c([nH]c(c2)C(=O)O)cc1206.16
N1(CC(CCC1)C(=O)O)C(=O)N(C)C200.24
O(C(C)C(=O)O)c1ccc(cc1)CCC208.26
Brc1c(ccc(c1)N)C(=O)O216.03
[N+](=O)([O-])c1cc(c(cc1)N2CCCCC2)C(=O)O250.25
O1C(CC(CC1)C(CC(=O)O)c2ccccc2)(C)C262.35
[s]1c2c(nc1N)ccc(c2)CC(=O)O289.1519
S(CCC(N1C(=O)C=CC1=O)C(=O)O)C229.26
n1c2c(c(c(c1)C(=O)O)O)cc(cc2OC)OC249.22
O1C(Cc2c1ccc(c2)CC(=O)O)C192.21
[n]1(c2c(nc1C)cc3c(c2)OCCO3)CC(=O)O248.24
[N+](=O)([O-])c1cc(c(cc1)N2CCCC2)C(=O)O236.23
O1C(CC(CC1)(CC(=O)O)c2ccccc2)(C)C248.32
OC(=O)Cc1cc2c(cc1)CCCC2190.24
O(CC(=C)C)c1c(cccc1)C(=O)O192.21
S1C(NC(C1)C(=O)O)c2cc(c(cc2)O)OC255.29
O(CC(=O)O)c1c(cccc1)CC=C192.21
[s]1c2c(c(c1N)C(=O)O)CCCC2197.26
Brc1ccc(cc1)COc2c(cc(cc2)C(=O)O)OC337.17
OC(=O)C(Cc2ccccc2)Cc1ccccc1240.3
FC(F)(F)c1n[n](cc1)CC(=O)O194.11
O1c2c(ccc(c2)OC(C)C(=O)O)C(=C(C1=O)C)C262.26
[s]1c2c(nc1SCCCC(=O)O)cccc2253.35
Clc1c(cc(cc1)C(=O)NCC(=O)O)[N+](=O)[O-]258.62
[N+](=O)([O-])c1c(ccc(c1)C(=O)O)NC2CCCCC2264.28
S1C(NC(C1)C(=O)O)C(c2ccccc2)C(=O)OCC295.36
Clc1cc2nc([o]c2cc1)c3ccc(cc3)C(=O)O273.68
ClCC(=O)Nc1cc(c(cc1)Cl)C(=O)O248.06
[s]1c(nc(c1C)C(=O)O)c2ccccc2219.26
S(CC(=O)O)c1ccc(cc1)[n]2c(ccc2C)C261.34
S(CC(=O)O)c1nc(cc(c1C#N)c3ccc(cc3)Cl)c2ccccc2380.85
[s]1cnc(c1c2ccccc2)C(=O)O205.24
N1CCC(CC1)(c2ccccc2)C(=O)O205.26
S(CC(=O)O)c1nnc(nc1O)O203.18
[S](=O)(=O)(CCCCCCCCCCCC)CCC(=O)O306.47
N(C(CC(=O)O)c2ccccc2)C(=O)Cc1ccccc1283.33
n1c2c(c(c(c1C(=O)O)c3ccccc3)C(=O)O)cccc2293.28
Brc1c(c(cc(c1)Br)C(=O)O)Cl314.36
Clc1cc(ncc1)NC(=O)Cc2c(cccc2)C(=O)O290.71
[s]1c(nc(c1C(=O)O)C(C)C)C185.25
Fc1[n]2c(nc1C(=O)O)C=CC(=C2)Cl214.58
[n]2(cncc2)Cc1ccc(cc1)C(=O)O202.21
Fc1c(ccc(c1)F)N2CC(CC2=O)C(=O)O241.19
N(CCCC(=O)O)C(=O)c1cc(c(c(c1)OC)OC)OC297.31
Nc1cc(c(cc1)O)c2nc3c([o]2)cccc3226.23
Ic1c(c(cc(c1)C=O)OCC)O292.07
ClCC(O)c1ccc(cc1)[N+](=O)[O-]201.61
[n]1(c2c(nc1NCCO)N(C(=O)N(C2=O)C)C)C253.26
[n]2(ncc3c2nc(nc3O)O)c1ccccc1228.21
[N+](=O)([O-])c1c(c(cc(c1C)C)[N+](=O)[O-])O212.16
N(C)(C)c1ccc(cc1)C(c3c(cccc3)O)c2ccc(cc2)N(C)C346.47
N(c3ccccc3)C(=O)C1=Cc2c(cc(cc2)O)OC1=O281.27
Clc1ccc(cc1)CNc2c(cccc2)O233.7
Oc1c(cccc1)C2C3CC(C2)CC3188.27
S1c2[n](cc(n2)c3ccc(cc3)O)C=C1216.26
Ic1c(c(cc(c1)C=O)OC)OCCO322.1
Clc1c(ccc(c1)Cl)C[n]2c3c(c(c2C)CO)cccc3320.22
Brc1c(c(cc(c1O)OC)C=O)Cl265.49
[N+](=O)([O-])c1cc2c(cc1)NC(=O)C2(O)CC(=O)c3[o]ccc3302.24
Brc1cc2c(cc1)C(=O)N(C2=O)CO256.06
[N+](=O)([O-])c1c(c(cc(c1)c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-])O305.2
N(c3ccc(cc3)OC)C(=O)c1c(c2c(cc1)cccc2)O293.32
[S](=O)(=O)(O)c1cc(c(cc1)O)[N+](=O)[O-]219.17
[S](=O)(=O)(O)c1cc2c(c(c1)O)cccc2224.24
Brc1c(c(cc(c1)Br)Cc2c(c(cc(c2)Br)Br)O)O515.82
Brc1c(ccc(c1)Br)NC(=O)c2c(c(cc(c2)Br)Br)O528.82
Clc1c(c(cc(c1)Cl)C(=O)Nc2c(cc(cc2)Cl)[N+](=O)[O-])O361.57
[N+](=O)([O-])c1cc(c(cc1)O)C(=O)Nc2ccc(cc2)C272.26
[S](=O)(=O)(c2c(c(cc(c2O)Cl)Cl)Cl)c1c(c(cc(c1O)Cl)Cl)Cl456.94
Clc1cc(c(c(c1)Cc2c(c(cc(c2)Cl)[N+](=O)[O-])O)O)[N+](=O)[O-]359.12
[N+](=O)([O-])c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(CC(O)CO)c2ccccc2378.3
N(CC(O)COCCCC)(CCO)CCO235.32
Ic1c(c(cc(c1)I)C(=O)Nc2ccc(cc2)Cl)O499.47
S(CC(=O)Nc2c(ccc(c2)Cl)O)c1ccccc1293.77
Clc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]218.55
Brc1c2c(cc(c1O)Br)C(=C(C(=O)O2)Br)C412.86
[N+](=O)([O-])c1cc2c(cc1)C(C(=C(O2)N)C#N)c3cc(ccc3)O309.28
Ic1c(c(cc(c1)C(=O)C)I)O387.94
Nc1ccc(cc1)C(c3ccc(cc3)N)c2ccc(cc2)O290.36
OC(C)(c2ccccc2)C#Cc1ccccc1222.29
Fc1c(c(c(c(c1F)F)C#CC2(CCCC2)O)F)F276.21
[s]1c(nc(c1)c2cc(c(cc2)O)O)S225.29
N1CCc2c(cc(c(c2)O)O)C1c3cc(c(c(c3)OC)OC)OC367.8306
Clc1c(cccc1)[n]2nnnc2O196.6
[N+](=O)([O-])c1cc(c(cc1)NC(=O)c2ccc(cc2)OC)O288.26
S=C1N(c2c(cccc2)N1CO)CO210.26
Clc1c(ccc(c1)Nc2nc(nc(c2)O)O)C251.67
N(Cc2ccccc2)c1nc(nc(c1)O)O217.23
N(C2CCCCC2)c1c(nc(nc1)O)O209.25
S1c2c(c(c(c(c2)C)O)C)C(=O)c3c1cccc3256.33
[s]1c(nc(c1)c3cc(c(cc3)O)O)Nc2cc(c(cc2)C)Cl332.81
[s]1c(nc(c1)c2c3c([nH]c2)cccc3)N251.7406
[nH]1c2c(c(c1)C(CN)c3ccc(cc3)OC)cccc2266.34
[s]1c(c(c(c1C(=O)C)C)C(=O)OC)N213.26
N(c2ncccc2)C(=O)c1c(cccc1)N249.7006
FC(F)(F)c1cc(ccc1)NC(=O)c2c(cccc2)N316.7106
NCCOc1c(cccc1)OCCN196.25
Nc1ccc(cc1)c2nnc([o]2)c3ccc(cc3)OC267.29
[s]1c(nnc1N)SCC=C173.26
Clc1c(cccc1)OCCN171.63
[n]2(c(c(c(c2)c3ccccc3)C#N)N)c1ccc(cc1)C273.34
[s]1c(c(c(c1c2ccccc2)C)C(=O)OCC)N261.34
S1C(=C(C(C(=C1N)C#N)c2[o]ccc2)C#N)N244.28
Nc1nc2c([o]1)ccc(c2)C148.16
[N+](=O)([O-])c1ccc(cc1)C2C3=C(OC(=C2C#N)N)CC(CC3=O)c4ccccc4387.39
[s]1c2nc(ccc2c(c1C(=O)c4ccccc4)N)c3ccccc3330.41
NC1=C(C(C(=C(O1)c3ccccc3)C(=O)OCC)c2ccc(cc2)C)C#N360.41
Clc1nc(cc(c1N)C)C156.61
[n]2(c(c(c(c2C)C)C#N)N)C1CCCCC1217.31
[n]2(cccc2)c1n[o]nc1N150.14
[n]2(ncc(c2N)C#N)c1ncccc1185.19
S=C1N(C(=C(C3=C1CCCC3)C#N)N)c2ccc(cc2)Cl315.83
Clc1nccc(c1N)NC157.6
BrC1=C(C(=O)c2c(cccc2)C1=O)N252.07
[s]1c(nc(c1)C)CC(=O)N156.21
[P](=O)(O)(CCCN)CCc1ccccc1263.7006
[P](=O)(O)(CCCN)C173.5806
N(C(c2c(ccc(c2)C)N)c1ccccc1)CC(=O)OC284.36
[s]1nnc(c1N)C(=O)OCC173.2
Fc1ccc(cc1)NC(=O)c2c(cccc2)N230.24
Clc1c(cccc1)CCCN169.65
Clc1ncnc(c1N)NCc2[o]ccc2224.65
Fc1c(c(c(c(c1Oc3ccc(cc3)N)F)F)Oc2ccc(cc2)N)F364.3
Brc1ccc(cc1)c2[o]c(c(c2)C#N)N263.09
[s]1c(nc(c1C(=O)c2ccc(cc2)Cl)N)NCC281.77
Clc1ncnc(c1N)NCCCC200.67
N(C)(C)c1nc(nc(n1)N)N(C)C182.23
[nH]1c2c(c(c1C)CCN)cc(cc2)C#N199.26
Nc1nc2nc3c(cc2cn1)cc(cc3)OC226.24
Nc1nc2nc3c(cc2cn1)cccc3C210.24
[s]1c(c(c(c1)c2ccc(cc2)C)C#N)N214.29
Nc1nncc(n1)c2ccccc2172.19
Ic1ccc(cc1)c2nc([s]c2)N302.14
[s]1c(nnc1CCCC2CCCCC2)N225.36
[nH]1c(nnc1CC)N112.13
[s]1c(nnc1c2ccc(cc2)c3ccccc3)N253.33
[s]1c(c(c(c1c2ccccc2)C)C(=O)OC)N247.32
Clc1nc(nc(n1)OC)N160.56
Clc1nc(nc(c1)Oc2ccc(cc2)CCC)N263.73
[N+](=O)([O-])c1c2c(c(cc1)N)C(=O)c3c(cccc3)C2=O268.23
N(c2ccc(cc2)C(=O)OCC)C(=O)c1ccc(cc1)N284.31
S1C(=C(C(C(=C1N)C#N)c2ccc(cc2)OC)C#N)N284.34
Fc1ccc(cc1)c2c3c([n](nc3C)c4ccccc4)nc(c2C#N)N343.36
Brc1cc(c(cc1)N)C(NCC(=O)OC)c2ccccc2349.23
[nH]1c2c(c3c1CCCC3)cc(cc2)N186.26
N2(CCN(CC2)C(=O)C)c1c(cc(cc1)N)C233.31
[s]1c(nc(c1)c3ccccc3)Nc2ccc(cc2)N267.35
[S](=O)(=O)(N(C)C)c1cc(c(cc1)OC)N230.29
NCCc1nc(n[o]1)c2ccc(cc2)OC219.24
[s]1c2ncnc(c2c3c1CCCCC3)N219.31
[n]2(nc(nc2NCc3ccccc3)N)c1ccccc1265.32
[n]1(c2c(nc1N)cccc2)CCCN(C)C291.2213
[n]1(nnnc1N)CCCC141.18
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[s]1c(ccc1C)N113.18
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[s]1c(nc(c1)c3ccc(cc3)Br)N2CCC(CC2)C(=O)O367.27
[N+](=O)([O-])c1ccc(cc1)c2ccc(cc2)C(=O)O243.22
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Clc1cc2nc(cc(c2cc1)O)C(=O)O223.62
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Brc1ccc(cc1)C(=O)NCCCCCC(=O)O314.18
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Clc1ccc(cc1)C(=O)NC(CC(=O)O)c2ccc(cc2)OC333.77
[N+](=O)([O-])c1c(c(cc(c1)CC(N)C(=O)O)[N+](=O)[O-])O271.19
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[s]1c2c(c(c1C(=O)O)Cl)cc(cc2)OC242.68
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[s]1c2c(nc1c3ccccc3)cc(cc2)CC(=O)O269.32
[s]1c2ncnc(c2c(c1C)C)SCCC(=O)O268.36
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Fc1ccc(cc1)C(CC(=O)O)C182.19
O1CC(CC1)CCC(=O)O144.17
OC(=O)C1C2C1CCC2126.16
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N(CC(=O)O)C(=O)Cc1ccc(cc1)O209.2
Fc1ccc(cc1)[n]2nnc(c2)C(=O)O207.16
Clc1c(nc(nc1)N2CCOCC2)C(=O)O243.65
Clc1nc(c(cc1Cl)Cl)C(=O)O226.45
N1(C(=O)c2c(cccc2)C1=O)C(CCC(=O)N)C(=O)O276.25
[s]1c2[n](nc(c2cc1C(=O)O)C)Cc3ccc(cc3)Cl306.77
S1c2c(cccc2)N(c3c1cccc3)CCC(=O)O271.34
Clc1c(nc(nc1)N2CCCCC2)C(=O)O241.68
N(c2c(cccc2)C(=O)O)C(=O)COc1ccccc1271.27
[s]1c2c(cc1C(=O)O)CCc3c2ccc(c3)OC260.31
[n]1(nnc2c1cc(cc2)C(=O)O)O179.14
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[n]2(nc(cc2C)C(=O)O)Cc1ccccc1216.24
[N+](=O)([O-])c1c(ccc(c1)C(C)(C)C)N194.23
[S](=O)(=O)(O)O.[nH]1c(ncc1)N181.17
[N+](=O)([O-])c1c(cc(cc1)OC)N168.15
[N+](=O)([O-])c1c(nc(cc1)OC)N169.14
Clc1nnc(cc1)N129.55
[nH]1c2c(nc1)nc(nc2OCc3ccccc3)N241.25
N(c2nc(ccn2)c3cnccc3)c1c(ccc(c1)N)C277.33
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[n]2(nc(cc2N)C(C)(C)C)c1ccccc1215.3
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Cl.[nH]1c2c(nc1CN)cccc2183.64
Clc1c(c(ccc1)[N+](=O)[O-])N172.57
Nc1cnc(cc1)OC124.14
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[s]1c2c(c(c1C(=O)OCC)N)cccc2221.28
[s]1c(nc(c1)c2ccc(cc2)CC(C)C)N232.35
[s]1c2nc(c(cc2c(c1C(=O)c3ccccc3)N)C#N)N294.34
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Fc1cc(ccc1)C2C3=C(OC(=C2C#N)N)c4c(cccc4)OC3=O334.31
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Ic1cc(c(cc1)Cl)c2nc3c([o]2)ccc(c3)N370.58
[n]2(nc(c3c2OC(=C(C3c4ccc(cc4)OC)C#N)N)C)c1ccccc1358.4
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[N+](=O)([O-])c1c(ccc(c1)Oc2cc(c(cc2)N)[N+](=O)[O-])N290.24
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[s]1c2nc(nc(c2c3c1CCCC3)N)C219.31
Cl.N(CC(=O)OCC)C(=O)CN196.63
[N+](=O)([O-])c1c(ccc(c1)N)Cc2c(cc(cc2)N)[N+](=O)[O-]288.26
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[s]1c(nnc1Cc2ccc(cc2)C)N205.28
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[s]1c(c(cc1c2ccccc2)C(=O)OCC)N247.32
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Clc1cc(ccc1)[n]2nc(cc2N)c3ccccc3269.73
[S](=O)(=O)(N(CC=C)CC=C)c1ccc(cc1)N252.34
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[nH]1ncc2c1cc(c(c2)N)N148.17
[N+](=O)([O-])c1cc(c(cc1)NC)N167.17
Cl.Nc1c2c(nc3c1cccc3)cccc2230.7
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Fc1c(ccc(c1)[S](=O)(=O)C)N189.21
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Cl.NCCCCCCC(=O)OC195.69
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S1C(=C(C(C(=C1N)C#N)c2ccc(cc2)Cl)C#N)N288.76
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N(Cc2[o]ccc2)C(=O)c1c(cccc1)N216.24
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[N+](=O)([O-])c1c(ccc(c1)Cc2cc(c(cc2)N)[N+](=O)[O-])N288.26
S1CCC(C1=O)N153.6306
[n]2(nc(cc2N)C)c1cc(ccc1)C187.24
N(C1(CCCCC1)CN)(C)C156.27

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