| smiles,boiling_point_K | |
| Cc1ccc(CCO)cc1,517.5 | |
| c1ccc2nc3ccccc3cc2c1,619.0 | |
| COC(=O)C=C(C)C,409.5 | |
| O=C1CCC(=O)N1,560.5 | |
| C=C(C)[C@H](C)CCC,383.5 | |
| CCCCCC(C)(C)C,405.7 | |
| C=CCCCCCCCCCO,519.5 | |
| CC(C)CC[N+](=O)[O-],436.5 | |
| CCCCCCCC(=O)CC,476.0 | |
| C=C(C)C(CC)CC,382.5 | |
| C1=CCC2CC2C1,398.0 | |
| O=C(Cl)/C=C/C(=O)Cl,432.0 | |
| O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=O,418.0 | |
| Cc1cc2ccccc2o1,470.5 | |
| Brc1sc(Br)c(Br)c1Br,599.0 | |
| CCC(C)CBr,394.6 | |
| C=CBr,288.8 | |
| CCCCCCCCCCS,513.6 | |
| CCC(C)(C)CC(C)(C)C,426.8 | |
| CC(C)C(C)(C)C(C)(C)C,439.1 | |
| Cc1coc(C)n1,381.0 | |
| Cc1ccccc1C(=O)O,531.5 | |
| CCOC(=O)C(C(C)=O)C(=O)c1cccs1,398.0 | |
| CSCC(C)C,385.5 | |
| CC(=O)C(C(C)=O)=C(C)O,476.4 | |
| Cc1cc(O)c(C)c(O)c1,551.5 | |
| CCCSc1ccccc1,493.0 | |
| NC(=O)NC(N)=O,373.0 | |
| CCCC(C)C(C)(C)O,433.0 | |
| Cc1ccc(C=O)cc1C,499.0 | |
| C=C(C)C(C)(C)CCCC,427.6 | |
| CC(=O)CCCC(=O)O,547.5 | |
| C=CC[C@@H](C)C(C)C,382.0 | |
| Cc1cc(C)c(C)c(C)c1,471.0 | |
| C/C=C/C=C(C)C,384.5 | |
| CN(C)CCN(C)C,394.0 | |
| Cc1nccnc1C,429.0 | |
| CN1[C@H]2C[C@H]3C[C@@H]1[C@@H](O)[C@@H]2O3,521.0 | |
| C=C(CC)C(C)CC,385.5 | |
| CCCNCC,354.0 | |
| C=CC(C)C(C)O,398.5 | |
| CCCCCC1=CCCC1,452.0 | |
| CCCCC1CO1,392.0 | |
| CCC(C)C(C)CC,390.7 | |
| Cc1ccc(N)cc1C,499.0 | |
| FC(F)(F)C(F)(F)C(Cl)(Cl)Cl,347.0 | |
| CCOCC1CO1,401.0 | |
| CC(O)(CC(=O)O)C(F)(F)F,361.5 | |
| C#CCN(C)C,353.5 | |
| CC/C=C(\C)C(=O)O,487.0 | |
| CCOC(=O)C(C(=O)OCC)C(=O)OCC,526.0 | |
| CC(C)COC(C)OCC(C)C,444.3 | |
| CCCCCNCCCCC,475.5 | |
| Nc1ccc(-c2ccc(N)cc2)cc1,674.0 | |
| C=C(C)CC(C)C,354.6 | |
| FC(F)OC(F)C(F)(F)F,296.5 | |
| ClCc1nc(-c2ccccc2)no1,416.0 | |
| CSCCO,443.0 | |
| CCc1cccc(C(C)C)c1,465.0 | |
| O=[N+]([O-])c1cccc(Br)c1,529.0 | |
| CCO[PH](=O)CSCC,502.4 | |
| Nc1ccc(C(=O)O)cc1,580.7 | |
| N#CCc1ccsc1,514.0 | |
| Clc1ccc(C(Cl)(Cl)Cl)cc1,518.0 | |
| Cc1cc([N+](=O)[O-])ccc1Cl,522.0 | |
| O=[N+]([O-])c1ccc(O)cc1C(F)(F)F,409.5 | |
| Clc1ccc(Cl)s1,435.0 | |
| C=CCCCCC(C)C,412.04 | |
| CC(C)c1cccc2ccccc12,541.0 | |
| CCC(C)C(=O)O,449.5 | |
| CC(C)(C)CBr,379.0 | |
| O=[N+]([O-])c1ccccc1CO,543.0 | |
| CC(C)=CCC/C(C)=C\C(=O)O,523.0 | |
| N#Cc1ccc(Cl)cc1,496.0 | |
| CC(C)[C@H](O)c1ccccc1,496.0 | |
| CC(=O)CCc1ccccc1,509.0 | |
| Cc1cccc(O)c1O,514.0 | |
| CNCc1ccnc(N2CCSCC2)c1,418.0 | |
| FC(Cl)Br,309.0 | |
| CC(C)CC(=O)OCc1ccccc1,518.0 | |
| CC([N+](=O)[O-])[N+](=O)[O-],458.5 | |
| C1=CCCCCCCCCCC1,511.5 | |
| CNc1cccc2ccccc12,567.5 | |
| C=C(C)C=C(C)C,367.0 | |
| CCCCCOC=O,403.4 | |
| CC(C)(Cl)CCCl,419.7 | |
| CCCCCCCC(C)O,466.5 | |
| CCCOC(=O)c1ccccc1C(=O)OCCC,590.5 | |
| FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F,404.0 | |
| CC(C)(C)OOC(=O)c1ccccc1,348.5 | |
| CCN(CC)P(Cl)N(CC)CC,329.0 | |
| Cn1c(=S)sc2ccccc21,608.0 | |
| BrCC(Br)Br,461.9 | |
| CCn1cccc1,402.5 | |
| OCc1ccccc1F,473.0 | |
| C[C@H](N)[C@H](O)c1cccc(O)c1,491.0 | |
| FC(F)C(F)(F)OCC(F)(F)C(F)(F)F,341.0 | |
| O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,491.0 | |
| COC=CC(=O)OC,442.0 | |
| COc1ccc(CCCl)cc1,399.5 | |
| COP(Cl)Cl,366.0 | |
| O=C1C2CC3C(C2)C13,458.0 | |
| ClC(Cl)=C(Cl)C(Cl)(Cl)Cl,482.5 | |
| COc1ccc(CN2CCNCC2)cc1,418.0 | |
| CC(C)(C)N=C=S,416.0 | |
| CCc1ccc([N+](=O)[O-])cc1,518.5 | |
| CCC(=O)c1ccc2ccccc2c1,586.0 | |
| OC(CBr)C(F)(F)F,398.0 | |
| CC(=O)OC1CCCC1,501.0 | |
| CCN(CC)C(=O)N(CC)CC,482.0 | |
| C=CCCC(C)(C)C,377.0 | |
| OCCCC(Cl)(Cl)CO,392.0 | |
| CCBr,311.5 | |
| CC1(N)CCCC1,394.0 | |
| C/C(CCC(C)C)=N/O,468.5 | |
| C=C(C)C(=O)CC,391.5 | |
| COC(C)(C)CC(C)=O,433.0 | |
| NCCc1ccccc1,467.5 | |
| Brc1ccc2ncccc2c1,554.0 | |
| Cc1cc(C)ncn1,427.0 | |
| CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC,424.0 | |
| CC(C)OC(=O)C(=O)OC(C)C,464.0 | |
| CCCCOC(C)C,382.0 | |
| CC(=O)CO,418.5 | |
| CC1CCCC(C)(C)C1,409.6 | |
| CC(O)C(F)(F)F,348.5 | |
| Cc1ccc(N=C=S)c(Cl)c1,358.0 | |
| Cc1ccc(OC(=O)c2ccccc2)cc1,589.0 | |
| CCc1cccc(O)c1,487.0 | |
| CCc1ccsc1,413.0 | |
| CCCC=CC(=O)O,490.0 | |
| CC(=O)N1CCC(C#N)CC1,413.0 | |
| O=[N+]([O-])c1ccccc1OCCCBr,404.5 | |
| CCN(CC)[N+](=O)[O-],479.5 | |
| CCOC(=O)C1(C(=O)OCC)CCC1,497.0 | |
| CCCCCC(O)CCC,465.65 | |
| C1=COCCO1,367.1 | |
| CC1=C(C)CCC1,378.8 | |
| CCCSCC,391.6 | |
| COC(=O)CP(=O)(OC)OC,391.0 | |
| Clc1cccc2ccccc12,532.0 | |
| CCC(CC)c1ccccc1,460.5 | |
| c1ccc(-c2cccnc2)cc1,545.0 | |
| CCC(O)COS(=O)(=O)c1ccc(C)cc1,523.0 | |
| CCOC(OCC)(OCC)c1ccccc1,513.0 | |
| COc1cc(Cl)c(Cl)cc1Cl,527.0 | |
| CC1(c2ccccc2)CCOCO1,529.0 | |
| N#Cc1ccc2ccccc2c1,579.5 | |
| Cc1ccccc1CCO,516.5 | |
| OCCCl,402.0 | |
| Nc1ccccc1-c1ccccc1,572.0 | |
| O=C(O)C(F)(F)C(F)F,407.0 | |
| COc1ccccc1N(C)C,483.0 | |
| NCC(F)(F)C(F)(F)F,322.0 | |
| c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,773.0 | |
| C#CC(C)(C)N,352.5 | |
| CN1CCN(c2ccc(N=C=O)cc2)CC1,418.0 | |
| CC1CCCS1,407.0 | |
| N#CC(F)(Cl)Cl,306.0 | |
| Cc1cccc(C)c1N=C=S,520.0 | |
| C/C=C(/C)c1ccccc1,467.7 | |
| O=C(O)C1=CCCc2ccccc21,579.0 | |
| OCC(O)CCl,486.0 | |
| CC(N)C(C)(C)C,375.5 | |
| COC(=O)C(OC)OC,434.5 | |
| C=C(C)C(=O)OC(C(F)(F)F)C(F)(F)F,372.0 | |
| CC[C@H](O)[C@H](C)O,460.5 | |
| CC=CCCC,341.5 | |
| CCOC(=O)C(C)[N+](=O)[O-],463.5 | |
| CN(C)c1cccc([N+](=O)[O-])c1,555.5 | |
| C#CC(OCC)OCC,411.0 | |
| O=C1C=CC=CC1=C1Nc2ccccc2O1,611.0 | |
| CCCCCC[N+](=O)[O-],466.0 | |
| C1CCOCC1,361.0 | |
| O=C1OCCC1C(F)(F)F,323.0 | |
| CCOC(=O)CC(C(=O)OCC)C(=O)OCC,372.0 | |
| CCC/C=C\CCCCC,443.83 | |
| CCCCCCOCC,416.0 | |
| C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12,548.0 | |
| Cc1ccc(C)c(CO)c1,506.0 | |
| F/C(=C(\F)C(F)(F)F)C(F)(F)F,274.5 | |
| CCOC(=O)C1CCN(Cc2cccnc2)CC1,440.0 | |
| OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,403.0 | |
| C[C@H]1CCC[C@@H](O)C1,441.0 | |
| FC(F)(Cl)C(F)(F)Cl,276.8 | |
| COc1c(Cl)cc(Cl)cc1Cl,514.0 | |
| FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,314.0 | |
| Fc1ccc(F)c(Cl)c1,402.5 | |
| CCCCCCCC(=O)c1ccccc1,560.5 | |
| CCOP(=O)(OCC)C(F)(F)Br,355.0 | |
| CC/C=C/CC(C)C,387.13 | |
| FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,343.3 | |
| CN=C=O,311.3 | |
| Cc1cccc(C)n1,417.0 | |
| Fc1cccc2[nH]ccc12,363.0 | |
| O=C(CCl)c1ccccc1,517.5 | |
| Cc1ccc(C)c(C)n1,444.6 | |
| CCOCCOCC,394.0 | |
| CC(C)CCC(CO)C(C)C,484.0 | |
| N#[N+]N=P([O-])(Oc1ccccc1)Oc1ccccc1,430.0 | |
| OCc1cccc2c1OCO2,397.5 | |
| CCC(C)COC,363.0 | |
| CC(C)=C(C)Cl,369.0 | |
| N#Cc1cccc(C=O)c1,482.5 | |
| CCCCCCC(O)CC,468.15 | |
| CN(C)C(=O)C(F)(F)F,406.0 | |
| CC/C(C)=C(\C)CC,395.15 | |
| C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,419.5 | |
| ClCCSCCCl,489.0 | |
| C=CC(F)(F)Br,315.0 | |
| CNC(=O)Oc1cccc2ccccc12,588.0 | |
| C/C=C/C(CC)CC,386.15 | |
| Oc1ccc(O)cc1,559.0 | |
| CCCCCCCOC(=O)CCCC,518.2 | |
| Cc1ccc2ncccc2c1,532.0 | |
| O=C(O)CS,493.0 | |
| C=C1CC=C(C(C)C)CC1,446.5 | |
| C=C(C)CC(C)(C)CC(C)(C)C,464.05 | |
| Cc1nc2ccc(-c3ccccc3)cc2s1,467.7 | |
| FCC(F)(F)F,247.0 | |
| CCOP(=O)(SC(C)CC)N1CCSC1=O,471.0 | |
| C=C(C)C1CC=C(C)C(=O)C1,504.0 | |
| CC(=O)C(C)(C)C,379.0 | |
| FCCBr,344.5 | |
| NC(=O)CCl,497.5 | |
| CCCCC=CCCCCC,465.17 | |
| Fc1ccc(F)c(F)c1F,368.0 | |
| FC(Cl)Cl,281.9 | |
| O=C=Nc1ccc(F)cc1C(F)(F)F,325.0 | |
| Nc1cc(Cl)ccc1Cl,524.0 | |
| CCOc1cccc(N)c1,521.0 | |
| CCCCCC[C@H](O)CCCC,502.0 | |
| CCOC(=O)c1ccc(OC)c(OC)c1,568.5 | |
| O=C(O)C(F)(F)C(F)(F)F,369.5 | |
| CC(=O)C(C)(C)C(C)=O,446.0 | |
| O=C(Cl)c1ccc(F)cc1C(F)(F)F,430.0 | |
| COc1ccc(CN=C=O)cc1,363.0 | |
| CCC(O)CC(C)C,421.15 | |
| C=C(C)[C@@H]1CC=C(C)CC1,449.0 | |
| O=C1CCC(=O)O1,534.0 | |
| CCC(CC)C(C)C(C)C,435.0 | |
| C#CCCC(C)=O,422.0 | |
| CCOC(CCCN)OCC,469.0 | |
| CC1=CCC2CC1OC2(C)C,456.5 | |
| CCOC(=O)OC(C)Cl,419.0 | |
| Cc1cccnc1Cl,465.5 | |
| CCCc1ccccc1O,498.0 | |
| O=C(C=Cc1ccccc1)OCc1ccccc1,623.0 | |
| CCN1CCN(CC)CC1,430.0 | |
| Cc1ccc[nH]c1=O,562.0 | |
| C[C@@H]1C[C@H](O)CC(C)(C)C1,475.0 | |
| CC(CO)N(C)C,423.3 | |
| CC(C)N(C)C,339.0 | |
| C#CC(C)O,382.5 | |
| O=C(Oc1ccccc1)c1ccccc1,571.5 | |
| FC(F)=C(C(F)(F)F)C(F)(F)F,273.5 | |
| CCCCC(CC)C(C)C,436.0 | |
| C=CC(C)CCCC(C)C,427.0 | |
| ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,596.4 | |
| CCC[C@@H]1CCCCC1=O,470.0 | |
| CCOC(=O)/C(=C/c1ccccc1)C(C)=O,569.0 | |
| CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-],603.0 | |
| O=C(O)C/C=C/c1ccccc1,575.0 | |
| CCCCC1CCCCC1,454.0 | |
| CCC[C@H]1CCC[C@H](C)C1,437.5 | |
| Cc1ccccc1CCl,471.0 | |
| Cc1cc(C)c2ncccc2c1,541.5 | |
| N#CC=Cc1ccccc1,527.5 | |
| N#CCc1ccc(Cl)cc1,539.0 | |
| CCCCCCC(=O)O,496.2 | |
| CCOCCl,356.0 | |
| CCCc1ccccc1N=C=O,323.0 | |
| CCOC(=O)C1OC1C,446.0 | |
| c1ccc(-c2cccc(-c3ccccc3)n2)cc1,670.0 | |
| Cc1cc(=O)cc(C)o1,522.0 | |
| CCC(=O)Cl,351.0 | |
| C/C=C/C(O)CCCC,448.0 | |
| Cc1ccnc(C)c1,432.0 | |
| C=C(C)C1CCC(C)CC1OC(C)=O,505.0 | |
| COc1ccc(N)cc1,514.5 | |
| C/C=C/OCC,344.5 | |
| c1ccc(OCCN2CCNCC2)cc1,393.0 | |
| O=C(/C=C/c1ccccc1)c1ccccc1,619.5 | |
| c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61,798.0 | |
| CCCC(C)O[N+](=O)[O-],417.0 | |
| CC1CCOC1,359.5 | |
| C=CC(C)(CC)CC,383.7 | |
| Brc1cc(Br)cc(Br)c1,544.0 | |
| Clc1cccnc1,421.5 | |
| Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C,555.0 | |
| CC(=O)Oc1cc(C(C)C)ccc1C,519.5 | |
| CN(C(=O)N(C)c1ccccc1)c1ccccc1,623.0 | |
| C=CCOC(=O)CCC,415.0 | |
| CCc1sccc1C,434.0 | |
| CCC(Br)CC,391.6 | |
| CCCCP(CCCC)CCCC,514.0 | |
| CCOC(=O)CNc1ccccc1,546.5 | |
| CCCN1CCCCC1,424.5 | |
| CC(=O)OC1C=COC(C)C1OC(C)=O,341.5 | |
| COCC(C)O,391.5 | |
| CCC(C(C)O)[N+](=O)[O-],333.0 | |
| O=COCC=Cc1ccccc1,525.0 | |
| C=CCc1cc(C)ccc1O,510.0 | |
| O=C(O)[C@H](F)Cl,435.0 | |
| CCN(CC)CCC[C@H](C)N,474.0 | |
| O=C(C(F)(F)F)C(Cl)(Cl)Cl,360.5 | |
| FC(F)(F)Oc1ccc(Cl)cc1,416.5 | |
| CCC(=O)c1ccc(C(F)(F)F)cc1,489.0 | |
| COc1c(C)cccc1C,455.0 | |
| CCOP(=O)(CSc1ccccc1)OCC,420.0 | |
| CNCc1ccccc1OCCCN(C)C,367.0 | |
| CCCCC[C@@H](C)CCC,438.7 | |
| CCC(C)(O)CCCC(C)C,466.0 | |
| N#Cc1ccccc1CCl,525.0 | |
| CC(C(=O)O)(c1ccccc1)c1ccccc1,573.0 | |
| CP(C)(=O)Cl,477.0 | |
| C#CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1,373.6 | |
| NC1CCC(N)CC1,470.0 | |
| O=NN1CCOCC1,498.0 | |
| ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl,556.0 | |
| Cc1n[nH]c(C)c1Cl,494.0 | |
| CCC(C)(CC(=O)O)CC(=O)O,534.0 | |
| C1CC[C@@H]2C[C@@H]2C1,389.5 | |
| CC(=O)OC(C)(C)C,371.0 | |
| CC(=O)OCCCCl,437.0 | |
| NCC1CCC(CN)CC1,515.5 | |
| FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F,331.4 | |
| Oc1cccc(Nc2ccccc2)c1,613.0 | |
| COc1ccccc1Br,489.0 | |
| C=CCCC1CO1,392.5 | |
| CCOC(=O)C(C)(C)C(=O)OCC,465.0 | |
| Cc1cc(Br)ccc1Br,509.0 | |
| CCOc1cc(C=O)ccc1O,567.0 | |
| CCNC(=O)NCC,536.0 | |
| CCOP(=S)(OCC)Oc1cnccn1,353.0 | |
| c1ccc2c(c1)Cc1ccccc1-2,571.0 | |
| CC12CCC(CC1)C(C)(C)O2,449.5 | |
| C#CCCl,331.0 | |
| COC1CCCCCCCCCCC1,543.7 | |
| CC(C)C(=O)Cl,365.0 | |
| COC(OC)C(=O)C=CN(C)C,383.0 | |
| CCCCCCC(O)CCO,396.0 | |
| O=C(c1ccccc1)N1CCNCC1,418.0 | |
| CCOc1cc(COC)ccc1O,555.4 | |
| CC(=O)c1ccccc1C,487.0 | |
| CCCCOCCOCCO,504.0 | |
| BrCC(Br)CBr,495.1 | |
| CCOC(CNc1ccc(F)cc1)OCC,377.0 | |
| Cc1cc(O)c(Cl)cc1Cl,507.0 | |
| CCC(C)CCCC(C)C,433.4 | |
| OCCNc1ccccc1,557.5 | |
| CC(=O)CC(=O)C(F)F,405.5 | |
| CC/C=C\CCCCC,421.09 | |
| c1ccc2c(c1)CCC2,449.0 | |
| O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F,403.5 | |
| C=C(c1ccccc1)c1ccccc1,543.5 | |
| CCCCCC(=O)OCC,441.0 | |
| CC(Br)(Br)CBr,463.5 | |
| OCC(Cl)CCl,455.0 | |
| CC(=O)OCC(C)OC(C)=O,463.5 | |
| C=CCF,270.0 | |
| C/C=C(\C)Cl,337.5 | |
| C#CC(=O)OC,372.5 | |
| CC[C@@H]1CCC[C@H]1C,394.2 | |
| Cc1cc[nH]c1,416.0 | |
| ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,603.0 | |
| CCS(=O)(=O)Cl,450.0 | |
| O=C(OOC(=O)c1ccccc1)c1ccccc1,601.6 | |
| c1ccc(Sc2ccccc2)cc1,569.0 | |
| Cc1c[nH]c(C)c1,439.0 | |
| OCC(F)(F)C(F)(F)C(F)(F)C(F)F,413.5 | |
| Nc1ccccc1S,507.0 | |
| CCC(=O)c1ccc(C)cc1,511.5 | |
| C#CC(C)(O)CC(C)C,423.5 | |
| Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],573.0 | |
| C/C=C(\C)C(C)(C)C,385.0 | |
| FC(=C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,322.0 | |
| CC(Br)CCl,391.0 | |
| CC1CC(=O)OC1=O,512.0 | |
| COC(=O)CCCl,429.0 | |
| O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,465.0 | |
| Cc1c(Cl)cccc1[N+](=O)[O-],511.0 | |
| NCCCCCN,452.0 | |
| Cc1cc(O)ccc1O,545.0 | |
| CCC(=O)C(C)=O,384.0 | |
| CC(C)C(O)C(C)(C)C,423.5 | |
| CCCCCc1ccc(O)cc1,615.0 | |
| c1ccc(Cc2ccc3ccccc3c2)cc1,623.0 | |
| CCCCCC(=O)CCCCC,501.0 | |
| CCCC(C)CCC,390.7 | |
| O=C(O)C(F)(F)Br,407.0 | |
| C=CC(=O)OCCO,485.5 | |
| CCCC[C@H](O)C(=O)O,578.0 | |
| FC(F)(F)S(F)(F)(F)(F)F,252.0 | |
| Fc1ccc(OCC2CO2)cc1,352.0 | |
| Clc1cc(Cl)c2ccccc2c1,564.0 | |
| CCC(=O)CC(C)C,408.0 | |
| Cc1ccccc1Br,454.7 | |
| CC(O)C(=O)c1ccccc1,524.0 | |
| COc1ccc(C)cc1N=C=S,403.0 | |
| C1CN(CCN2CCOCC2)CCO1,558.0 | |
| CC/C=C/CCCCCC,444.55 | |
| Fc1nc(F)nc(F)n1,345.4 | |
| ClCC(Cl)(CCl)CCl,484.0 | |
| CC1OC1C,333.5 | |
| O=C(Cl)c1ccccc1Cl,511.0 | |
| O=C(O)c1ccccc1,522.0 | |
| CCC(Cc1ccccc1)c1ccccc1,563.0 | |
| CCCCCCCCCC=O,481.0 | |
| COC1C=CC(OC)O1,434.0 | |
| CCCCC(=O)c1ccc(C)cc1,528.5 | |
| ClCc1ccccc1,452.0 | |
| CCC(=O)c1cccc(C)c1,508.0 | |
| CC(C)C1COC2(C)CCC(=O)N12,355.0 | |
| CCNc1ccc(C)cc1,490.0 | |
| c1ccc(-c2noc(-c3ccccc3)n2)cc1,563.0 | |
| c1ccc(N(c2ccccc2)c2ccccc2)cc1,620.5 | |
| Cc1ccccc1N=C=O,458.0 | |
| FC(F)(F)CBr,299.0 | |
| CC(F)F,248.1 | |
| CC/C=C(/C)CCC,395.15 | |
| O=C(Cc1ccccc1)c1ccccc1,593.0 | |
| ClC1=CCCCC1,415.5 | |
| Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1,408.0 | |
| OCC1CCCN2CCCCC12,543.0 | |
| CC1=CC(=O)CCC1,472.5 | |
| C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C,483.0 | |
| CCOC(=O)CCCCCCC(=O)OCC,555.0 | |
| [C-]#[N+]C,332.6 | |
| O=C(OCc1ccccc1)c1ccccc1,596.5 | |
| C=CCCCCC(=O)O,499.0 | |
| CC1CCCC2(C)CCCCC12O,543.0 | |
| Cc1ccc(O)c(C)c1C,509.0 | |
| CCc1ccccc1Br,472.3 | |
| CCOCC,307.6 | |
| CCCCOC(=O)NC,493.0 | |
| OC(c1ccccc1)c1ccccc1,570.5 | |
| CNCc1cccc(Oc2ccccn2)c1,443.0 | |
| CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,653.0 | |
| Cc1ccc([N+](=O)[O-])cc1C,529.0 | |
| O=C(Oc1ccccc1)Oc1ccccc1,574.5 | |
| C=C(C)c1cccc(C(C)(C)N=C=O)c1,542.5 | |
| COc1cc(Cl)ccc1N,533.0 | |
| C1CCC(C2CCCCC2)CC1,500.0 | |
| Oc1ccc(F)cc1Cl,444.5 | |
| Cc1ccc(C)c(CN)c1,498.5 | |
| CNC=O,473.0 | |
| CCCCOC,343.1 | |
| CC1CCC(C)(C)C1,377.9 | |
| CCNCCC#N,426.0 | |
| CCCCC(=O)OC,399.0 | |
| OC1CCCCCCCCCCC1,545.7 | |
| FC1=C(F)C(F)(F)C1(F)F,278.5 | |
| CCNc1ccc(OC(F)(F)F)cc1,316.0 | |
| C=CCCCCl,378.0 | |
| COc1ccc(/N=N/c2ccccc2)cc1,613.0 | |
| CC(Br)C(=O)C(F)(F)F,365.0 | |
| O=[N+]([O-])c1cccs1,497.5 | |
| CCCc1ccc(OC)cc1,484.5 | |
| O=C=Nc1ccccc1N1CCCCC1,393.0 | |
| Cc1cccnc1C,434.0 | |
| CNCc1ccc(OCCN2CCOCC2)cc1,415.0 | |
| c1ccc2c(c1)c1ccccc1c1ccccc21,711.0 | |
| Cc1cccc2ccc(Cl)nc12,560.0 | |
| FC(CC(F)(F)F)C(F)(F)F,301.2 | |
| CCO[PH](=O)OCC,333.0 | |
| COc1cccc(C)c1C,468.0 | |
| CCOCCO,408.0 | |
| C/C=C(\C)C(C)CC,389.15 | |
| COC(CC#N)OC,468.0 | |
| CC(C)O[P@@](C)(=O)F,420.0 | |
| CCOC(=O)CSCSCC(=O)OCC,431.0 | |
| COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,633.0 | |
| CCC[C@H](CC)c1ccccc1,482.0 | |
| O=CC(Cl)(Cl)Cl,370.8 | |
| Fc1c(F)c(F)c(Cl)c(F)c1F,390.9 | |
| C#CCCCC,344.5 | |
| COC(=O)CC12CC3CC(CC(C3)C1)C2,359.0 | |
| Cc1ccsc1C1=NOC(C)(COCc2c(F)cccc2F)C1,675.7 | |
| FC(F)OCC(F)(F)C(F)C(F)(F)F,345.5 | |
| COc1ccc(CO)cc1,532.0 | |
| O=Cc1ccc(Cl)c(Cl)c1,520.5 | |
| OC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F,389.0 | |
| C1CCC2NCCC2C1,458.5 | |
| Clc1ccc(-c2cc[nH]n2)cc1,427.0 | |
| Oc1cc(Br)cc(Br)c1,547.0 | |
| CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,394.0 | |
| CCC(C)[N+](=O)[O-],412.5 | |
| CC/C=C(\C)CCC,394.0 | |
| Nc1cccc(C(F)(F)F)c1,460.0 | |
| CC[C@H](C)CC(C)C,382.5 | |
| C=Cc1ccccc1CC,460.3 | |
| CCOc1cc(Cl)c(N)c(Cl)c1,548.0 | |
| COc1ccccn1,415.0 | |
| Cc1cccc(CN)c1,476.5 | |
| C=CCOC(=O)C(F)(F)F,339.5 | |
| CC(Cl)(Cl)C(=O)Cl,391.0 | |
| COCC(=O)Cl,385.5 | |
| Cc1ccccc1-c1ccccc1,528.3 | |
| FCC(F)(F)C(F)F,299.0 | |
| O=[N+]([O-])c1cc(F)cc(F)c1,449.5 | |
| CSC(=O)c1cccc2nnsc12,540.0 | |
| CC1CCCN1,372.0 | |
| N#CC(O)c1ccccc1,443.0 | |
| CCc1cccc(C)c1C,467.0 | |
| C[C@@H]1C=C2[C@@H](CC1)C2(C)C,441.0 | |
| Fc1cccc(Cl)c1CN1CCCNCC1,376.0 | |
| CCCC(CC)(CC)CO,465.15 | |
| CCCc1nccnc1C,463.0 | |
| CC(=O)N1CCCCC1,499.5 | |
| CCN(C#N)CC,460.0 | |
| ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl,583.0 | |
| CCCCCCCCS(=O)(=O)Cl,348.0 | |
| Cc1ccc(N)cc1Cl,510.5 | |
| CCC(C)(CC)C(C)(C)C,442.5 | |
| OCCF,376.5 | |
| C=CCCCC(C)C,386.2 | |
| CC[C@@H]1CCC[C@@H]1C,401.0 | |
| CCOC(C)C(=O)C(O)O,418.0 | |
| Cc1ccc(Cl)cc1Cl,473.0 | |
| CC1(C)C(=O)Nc2ccccc21,573.0 | |
| C=CCOCCO,431.5 | |
| COC(CC(C)=O)OC,451.0 | |
| COCC(=O)c1ccccc1,518.0 | |
| CCC(Br)C(C)Br,451.0 | |
| O=C(C(Cl)Cl)C(Cl)Cl,456.0 | |
| CC1=CC(=O)C(C(C)C)=CC1=O,504.0 | |
| Brc1ccc2cccnc2c1,563.0 | |
| CCCCC1CCC(=O)O1,507.0 | |
| C=C(C)C(C)(C)C(C)(C)C,431.9 | |
| Cc1cccc(N)n1,481.5 | |
| O=C=Nc1ccc(Br)cc1,499.0 | |
| c1csc(-c2ccc(-c3cccs3)s2)c1,433.0 | |
| CCOC(=O)Cc1ccccc1,499.0 | |
| N#CCCc1ccc(Cl)cc1,393.0 | |
| CCOC(=O)C1CCCCC1,469.0 | |
| CC(N)CCCC(C)(C)O,388.0 | |
| O=C=Nc1cc(C(F)(F)F)ccc1F,326.0 | |
| C1CCC2NC2C1,423.0 | |
| CCCCCCCCCCCC,489.0 | |
| c1ccc2c(c1)-c1cccc3cccc-2c13,657.0 | |
| COc1cccc(OC)c1C#N,583.0 | |
| C1C2C3C2C2C1C32,385.0 | |
| O=S(=O)(Cl)c1cc(F)c(F)c(F)c1,349.5 | |
| CCCCC#Cc1ccc(C=O)cc1,379.0 | |
| O=C(Cl)c1ccco1,446.5 | |
| OC(CCl)CCl,447.0 | |
| c1ccc2cc(Nc3ccc4ccccc4c3)ccc2c1,744.0 | |
| CCNC=O,471.0 | |
| CC/C=C/C(C)C,358.9 | |
| C=C(C)C(C)Cl,367.0 | |
| Clc1ccc(Oc2ccc(Cl)cc2)cc1,585.0 | |
| CC(F)(F)C(F)(F)F,255.6 | |
| O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1,641.0 | |
| C=C(Cl)C#N,361.5 | |
| CC(Cl)C[N+](=O)[O-],445.0 | |
| NCc1c(Cl)cccc1Oc1ccccc1,398.0 | |
| O=C(O)c1ccc(O)cc1,571.0 | |
| COC1CC2CC1C1CC(C=O)CC21,550.5 | |
| CCCCCCC(C)N,438.0 | |
| C=CCC(C)C,326.9 | |
| CC(C)OC(=O)/C=C/C(=O)OC(C)C,553.0 | |
| CCCC(OC)(OC)OC,415.0 | |
| CCCCCCCCCCC(C)=O,520.0 | |
| CCCc1ccccc1C,458.0 | |
| C[C@@H]1CCCC1=O,412.5 | |
| CCOC(=O)C(C)N=C=S,317.0 | |
| COc1ccc(Cl)cc1N,408.0 | |
| CC(C)OP(C)(=O)OC(C)(C)C#N,382.0 | |
| CCCC1CC1,342.1 | |
| C=Cc1ccc(C)nc1,454.0 | |
| C=C1C2CCC(C2)C1(C)C,433.0 | |
| C#CCCCC#N,389.0 | |
| c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34,768.0 | |
| COC(=O)c1ccccc1C(=O)OC,555.0 | |
| CCCCCCC(Cl)(Cl)C(=O)O,367.5 | |
| CC(C)(C)c1ccc(N)c(Cl)c1,357.5 | |
| FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(F)(F)F,371.0 | |
| CCCCCCCCC(C)=O,484.0 | |
| CC(C)CC(O)CC(C)C,451.6 | |
| C=C(C)C(C)CCC,383.5 | |
| C=C(C)CCCCCC,417.8 | |
| Cc1cc(Cl)cc(Cl)c1Cl,503.0 | |
| CCC1COC(C)=N1,385.5 | |
| CCOC(=O)C(C#N)c1ccccc1,548.0 | |
| CC(C)[C@H]1CC[C@@H](C)CC1=O,477.0 | |
| CC(O)C#N,456.0 | |
| CCN(N)c1ccccc1,510.0 | |
| Nc1ccc(O)cc1,557.0 | |
| CSc1ccc(N)cc1,545.5 | |
| c1ccc2sccc2c1,494.5 | |
| COc1ccc(OC)c(Cl)c1,520.0 | |
| CC(F)(F)C(=O)O,415.0 | |
| CCOc1ccc(Cl)cc1Cl,510.0 | |
| c1cc(N2CCCC2)ccn1,445.0 | |
| Cc1cc(C)c(Cl)c(C)c1Cl,516.0 | |
| Brc1ccc(-c2ccc(Br)cc2)cc1,630.5 | |
| CCCCCCCCCC(C)C=O,444.0 | |
| CCC1CCNCC1,427.0 | |
| FC(F)(F)C=C(Br)C(F)(F)F,328.0 | |
| CCOC(=O)CCC(C)C,436.0 | |
| C[C@@H](N)CCN,412.5 | |
| O=C(Cl)c1cccc(Cl)c1,497.0 | |
| CNC(=O)Oc1cccc(C)c1,515.0 | |
| CCN(CC)C(=O)c1cccnc1,571.0 | |
| C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl,620.0 | |
| CCCCCCC(C)(C)O,451.0 | |
| CCOC(=O)c1cc2ccccc2o1,549.0 | |
| CC(Br)C(C)(Br)Br,479.0 | |
| CC(C)(F)F,272.6 | |
| CC(C)(C)CN,355.0 | |
| CN1CCC(O)CC1,473.0 | |
| FC(F)=C(Cl)C(F)(F)F,279.8 | |
| C=CCC(O)c1ccccc1,507.0 | |
| C=C(CCC)CCC,390.7 | |
| CCCC[C@@H]1CCC(=O)O1,507.0 | |
| CC1CC(O)CC(C)(C)C1,469.5 | |
| C=COC(C)=O,345.5 | |
| CCCCc1cccc(CCCC)c1O,526.15 | |
| C[C@H](CO)N(C)C,423.3 | |
| C/C=C(\C)CCl,383.0 | |
| C=CCCO,386.0 | |
| ClC1CCCCC1,415.0 | |
| CCCc1ccccc1,431.0 | |
| C=CC(CC)C(C)C,380.65 | |
| C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C,518.0 | |
| c1ccc2c(c1)Sc1ccccc1S2,638.0 | |
| CCCC(C)c1ccccc1,472.0 | |
| C=C1C=CC(C(C)C)CC1,444.5 | |
| C=C=O,223.2 | |
| S=C=Nc1ccccc1Cl,404.0 | |
| O=[N+]([O-])OCC(CCl)O[N+](=O)[O-],465.5 | |
| OCc1csc2ccccc12,346.0 | |
| O=C(Cl)CCl,378.0 | |
| COC(=O)C[N+](=O)[O-],469.5 | |
| CCCCC(C)C(C)CC,436.4 | |
| Nc1ccccn1,480.0 | |
| O=C(F)C(F)(F)C(F)(F)C(=O)F,305.5 | |
| C[N+](=O)[O-],374.0 | |
| C=Cc1cccnc1,435.0 | |
| CC(C)(O)Cc1ccccc1,377.0 | |
| CC=CC(=O)OCC,415.5 | |
| O=Cc1cc(C(F)(F)F)ccc1F,449.0 | |
| OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,434.0 | |
| C=CC(=O)OCC(F)(F)F,365.0 | |
| c1ccc(CC2CCNCC2)cc1,552.0 | |
| COCC(C)OCC(C)OC(C)CO,515.4 | |
| CCOC(=O)CC#N,482.0 | |
| Oc1cccc(Cl)c1Cl,487.0 | |
| CCCCCCC(=O)CCC,479.5 | |
| CC(CO)CO,468.0 | |
| CC[C@H](C)OC(C)=O,385.0 | |
| CCOC(C)OCC,376.0 | |
| CP(O)O,435.6 | |
| Cl/C=C/Br,357.6 | |
| COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1,619.0 | |
| CCCCCC/C=N/O,468.0 | |
| FC(F)(F)c1cccc(N=C=S)c1,480.0 | |
| CC(C)CN(C)C,353.5 | |
| CC=Cc1ccc(O)c(OC)c1,539.0 | |
| NC(=O)c1ccccc1N,573.0 | |
| Cl/C=C\Cl,333.1 | |
| C=CCCCc1ccccc1,474.0 | |
| CCCC(O)C(CC)CO,516.0 | |
| CC(=O)C1(O)CCCCC1,398.5 | |
| CCC/C=C/C=O,419.5 | |
| CCCCOc1ccccc1,483.2 | |
| OCc1cccc(N2CCCCC2)n1,392.0 | |
| O=S(=O)(O)C(F)(F)C(F)(F)F,451.0 | |
| COc1cc(C)cc(C)c1C,487.5 | |
| CCC(=O)CCC(C)C,437.0 | |
| CCCCCCBr,429.0 | |
| c1cncc([C@@H]2CCCN2)c1,543.0 | |
| c1c[nH]nn1,477.0 | |
| CC(C)C[C@H](O)C(C)C,430.5 | |
| CC=C(C)C(=O)O,471.4 | |
| COc1ccc(Cl)cc1N=C=S,437.5 | |
| CCCC(CC)(CC)CC,439.3 | |
| CC(C)C(C)C(C)C(C)C,429.2 | |
| Nc1c(F)c(F)c(F)c(F)c1F,426.0 | |
| Clc1ccc2ncccc2c1,536.0 | |
| FC(F)(F)c1ccc(Cl)cc1,411.5 | |
| FC(F)CBr,330.3 | |
| COc1ccc(C(=O)O)cc1,548.0 | |
| O=C(O)C1CC=CCC1,507.5 | |
| CCCCC/C(C=O)=C/c1ccccc1,577.8 | |
| OC/C=C/c1ccccc1,523.0 | |
| O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl,588.0 | |
| CCc1ccc(Cl)cc1,457.4 | |
| Brc1cccnc1,446.0 | |
| O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,476.4 | |
| c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45,809.0 | |
| O=C1CCC(=O)N1c1ccccc1,673.0 | |
| CCCCCCCC(C)=O,462.0 | |
| CC(=O)CBr,411.0 | |
| O=C(OC(=O)C(F)(F)F)C(F)(F)F,312.5 | |
| Cc1ccc(O)c(C(C)(C)C)c1,510.0 | |
| O=C(O)C1CCCCCC1,532.0 | |
| CCC(C)c1ccc(N)cc1,511.0 | |
| Oc1ccc(Cl)cc1,493.0 | |
| C/C=C\CCCCCC,423.91 | |
| Fc1cccc(CCl)c1,344.0 | |
| CCOC(=O)C(Cl)C(=O)OCC,495.0 | |
| Cc1ccoc1,338.5 | |
| OCc1ccsc1,360.0 | |
| O=[N+]([O-])c1ccc(CBr)cc1,554.7 | |
| CC(C)C(=O)OC(=O)C(C)C,455.0 | |
| O=C=Nc1ccccc1F,330.0 | |
| CN(C)c1ccc(N)cc1,536.0 | |
| CCC(=O)Cc1ccccc1,503.0 | |
| C/C=C/CCC,341.0 | |
| CCOC(=O)c1ccc(CCl)o1,388.0 | |
| CCOC(=O)c1cnc(C(F)(F)F)nc1Cl,368.0 | |
| CC(=O)c1cccc2ccccc12,575.0 | |
| CC(C)=CCC/C(C)=C/C(=O)O,523.0 | |
| FC(Cl)=C(Cl)Cl,344.0 | |
| N#CCCl,398.0 | |
| CCCC(O)CC,407.9 | |
| CCOC(=O)C(Br)Br,467.0 | |
| c1ccc(CCN2CCNCC2)cc1,368.0 | |
| c1ccc2c(c1)Cc1ccccc1S2,614.0 | |
| CC/C=C\Br,372.0 | |
| ClCc1cc(Cl)c(Cl)cc1Cl,546.0 | |
| Nc1c(Br)cc(Br)cc1C(F)(F)F,331.0 | |
| C/C=C\C(CC)CC,386.15 | |
| OCC1CCCCO1,460.0 | |
| FC(F)(F)/C(Cl)=C\Cl,326.7 | |
| Brc1ccc2c3c(cccc13)CC2,608.0 | |
| Cn1cc(Br)c(C(F)(F)F)n1,327.0 | |
| c1cc2c(c3c1CCCC3)CCCC2,568.0 | |
| CCC[C@H](CC)C(C)(C)C,429.1 | |
| c1ccc2c(c1)oc1ccccc12,558.0 | |
| O=C(O)CBr,481.0 | |
| CC1(C)[C@H]2CC=C(CCO)[C@@H]1C2,508.0 | |
| CCOC(CCN)OCC,345.0 | |
| CCCCCC(CO)CCC,490.5 | |
| O=C(Cl)C(Cl)Cl,380.5 | |
| CCS(=O)(=O)C(C)(C)S(=O)(=O)CC,573.0 | |
| CC1CC1CO,406.0 | |
| C=C[N+](=O)[O-],371.5 | |
| O=C(O)C(F)(F)Cl,395.0 | |
| CCOC(CNCc1cccs1)OCC,380.0 | |
| Br/C=C\Br,385.5 | |
| CCOC(=O)C(C)OS(C)(=O)=O,377.0 | |
| CC(C)CN=C=O,379.0 | |
| C=CCC(C(=O)OCC)C(=O)OCC,495.5 | |
| CC(C)([N+](=O)[O-])[N+](=O)[O-],458.0 | |
| FC(F)(F)/C(Cl)=C(\Cl)C(F)(F)F,341.5 | |
| CCOC(=O)c1ccc(Cl)cc1,510.5 | |
| CC(C)c1ccc(CO)cc1,521.0 | |
| CC1C=CC2C(C1)C2(C)C,442.0 | |
| CCCc1nnc(CCC)n1N,453.0 | |
| Cc1ccc(N)c(C)c1,491.0 | |
| Cl/C=C(\Cl)CCl,415.0 | |
| N#CCC#N,493.0 | |
| CCCCCC(C)=C(C)C,442.3 | |
| CC(=O)CC(C)(C)O,439.0 | |
| C[C@@H]1CS1,345.5 | |
| Fc1cc(F)c(F)c(Br)c1F,416.0 | |
| CC(C)CCCC(C)CCO,485.5 | |
| CC(C#N)CCC#N,536.0 | |
| O=C(CC(=O)C(F)(F)F)c1ccccc1,497.0 | |
| Fc1cc(F)c(F)cc1F,363.0 | |
| CCOC(=O)C(F)(F)F,334.0 | |
| O=C(Br)CBr,421.5 | |
| CC(C)C(N)=O,491.0 | |
| C[C@@H]1CCCC[C@H]1O,440.4 | |
| FC(F)(F)c1ccc(Cl)cc1Cl,390.5 | |
| CCn1ccnc1,481.0 | |
| CCCCOc1c(OCCCC)c(=O)c1=O,394.5 | |
| OCCCc1cccnc1,557.0 | |
| COc1ccc2c(c1)CC(=O)CC2,398.0 | |
| C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,357.5 | |
| CC[C@H](CC(C)C)C(C)C,427.1 | |
| Cc1cc(CBr)no1,317.0 | |
| CN(C)C(C)(C)CO,433.0 | |
| CC(CCO)C(F)(F)F,412.5 | |
| NN1CCOCC1,441.0 | |
| CC(C)C(=O)O,426.5 | |
| CCCCCS,396.5 | |
| c1ccc(CN2CCOCC2)cc1,533.5 | |
| CCCCC(C)S,415.0 | |
| COCc1ccco1,405.0 | |
| CC(C)(C)c1ccccc1N=C=O,498.0 | |
| CCSSCC,426.0 | |
| Cc1ccsc1C(=O)Cl,491.0 | |
| OCCc1ccc(Cl)cc1Cl,392.0 | |
| O=C(O)C(Cl)Br,488.0 | |
| CC[C@H]1C=CCC1,370.8 | |
| Nc1ccc(/N=N/c2ccccc2)cc1,639.0 | |
| CC#CCCCCCCCC,477.2 | |
| Clc1cccc(OCCBr)c1,417.5 | |
| CC1C=CCC1,337.9 | |
| CCOC(=O)Cc1cccc(C)c1,510.5 | |
| CCCC(C)(O)CC(C)C,444.0 | |
| C=CCOCCC,364.0 | |
| C1CN(CC2OCCO2)CCN1,354.0 | |
| NCCN,390.5 | |
| OCc1ccccc1Cl,500.0 | |
| CCC(CC)[C@H](C)C(C)C,435.0 | |
| CCOC(=O)C(F)(Br)C(F)(F)F,396.0 | |
| c1ccc(-c2ccncc2)nc1,554.0 | |
| FC(F)(F)C1(F)OC1(F)F,245.6 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,471.0 | |
| Cc1cc(C)c(N=C=O)c(C)c1N=C=O,375.0 | |
| CCCc1c(C(=O)Cl)cnn1-c1cc(Cl)cc(Cl)c1,464.0 | |
| O=C1OC(=O)C(F)(F)C(F)(F)C1(F)F,345.0 | |
| FC1=C(F)C(F)(F)C(F)(F)C1(F)F,300.0 | |
| Cc1ccc(N=C=O)cc1Cl,498.0 | |
| CC(C)(Cl)C=O,363.0 | |
| CC/C=C/CCCCCCC,466.46 | |
| C(CCC1CO1)CC1CO1,513.0 | |
| OCCOCCOCCO,558.0 | |
| CCC1CCCCC1C,429.0 | |
| NCCNCCO,513.0 | |
| BrC[C@H]1CCCO1,443.0 | |
| CC(=O)c1cc(C)c(C)cc1C,519.5 | |
| CCCCCCC(=O)OCC(C)C,481.0 | |
| CCCC(C)(O)C(C)(C)C,443.0 | |
| CCCO[N+](=O)[O-],383.0 | |
| CCCCC=O,376.0 | |
| C=CCO,370.0 | |
| COCC1CO1,383.5 | |
| CCCC[C@H](C)C(C)C,413.5 | |
| CCc1ccncc1,440.0 | |
| O=CC(Cl)Cl,362.2 | |
| Cc1cc(C)c(C)c(O)c1,503.5 | |
| Oc1cc(Cl)cc(Cl)c1Cl,521.5 | |
| CC(C)CCCCCCC=O,470.0 | |
| C=CC(=O)OC(C(F)(F)F)C(F)(F)F,357.0 | |
| c1ccc(C2CCCC2)cc1,492.0 | |
| Cc1nc2ccccc2o1,473.5 | |
| BrC=C(Br)Br,437.0 | |
| CC(C)OC(=O)Cl,378.0 | |
| CC1=CCC(C(C)C)CC1,446.0 | |
| C=CS(=O)(=O)C=C,506.5 | |
| C1=CCCCC1,356.0 | |
| CCOC(=O)Cc1csc(C)n1,387.0 | |
| ClCCCCCBr,484.0 | |
| CCOC(=O)C(=O)c1cccs1,379.0 | |
| CCC(Cl)(Cl)Cl,381.0 | |
| C=CCOC(F)(F)C(F)(F)S(=O)(=O)F,386.0 | |
| FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,321.0 | |
| CCCCCCC(Cl)Cl,464.0 | |
| CCCC(C)CC(C)C,405.9 | |
| CCCC(C)(CO)CO,503.0 | |
| CCCCCCOc1ccc(Br)cc1,383.0 | |
| CSCc1ccccc1,469.5 | |
| CCCCOC(=O)c1ccco1,506.0 | |
| CCCCOC(=O)C(Cl)(Cl)Cl,477.0 | |
| Cc1ccc(C)c2ccccc12,541.0 | |
| Cc1ccc(Cl)c(N)c1,502.0 | |
| O=C(c1ccccc1)c1cc(F)ccc1F,394.5 | |
| Nc1ccccc1Cl,482.0 | |
| O=[N+]([O-])c1ccccc1OCCBr,401.5 | |
| Cc1cnccc1Cl,349.0 | |
| Cc1cc(C(=O)Cl)c(-c2ccccc2)o1,395.5 | |
| C[C@H]1CN[C@@H](C)CN1,435.0 | |
| N#CN1CCOCC1,345.0 | |
| Cc1csc(C(C)C)n1,448.0 | |
| NCC1CCCC(CN)C1,493.0 | |
| CC(C)=CC=O,405.5 | |
| Oc1ccc(Cl)cc1Cl,482.5 | |
| CCOC=O,327.0 | |
| C=C(C)C(=O)OCCO,479.5 | |
| CC/C=C/C(C)(C)C,378.5 | |
| CCCC(Cl)Cl,386.8 | |
| CCNC(C)C,345.0 | |
| FC(F)(F)c1cc(N=C=S)cc(C(F)(F)F)c1,336.0 | |
| Oc1cc(F)ccc1Cl,457.0 | |
| C=C(C)C(C)C,329.0 | |
| N#Cc1cc(F)cc(F)c1,433.0 | |
| Fc1ccccc1C(Cl)Cl,501.0 | |
| Cc1cccc(C)c1S,349.0 | |
| CCCCOC(=O)OCCCC,443.0 | |
| O=Cc1cc(C(F)(F)F)ccc1Cl,316.0 | |
| FC(F)(F)/C(Cl)=C(/Cl)C(F)(F)F,341.5 | |
| COC(=O)C(Cl)(Cl)Cl,426.8 | |
| CN1C(=O)c2ccccc2C1=O,559.0 | |
| C[C@@H]1CCC[C@@H](C)C1,397.5 | |
| COc1ccc(C(=O)C2CC2)cc1,368.5 | |
| C/C=C(\C)CC(C)C,385.15 | |
| CC(C)CCCC(=O)O,489.0 | |
| O=C(O)CCC(F)(F)F,439.5 | |
| C=C/C(C)=C\C,350.0 | |
| CCCOc1ccccc1O,500.0 | |
| C#CCNC,356.0 | |
| CN1CCN(c2cccc(C#N)c2)CC1,409.0 | |
| CCOCCBr,399.0 | |
| C=CCc1ccc(OC=O)c(OC)c1,543.0 | |
| c1ccc(-c2cccc(-c3ccccc3)c2)cc1,636.0 | |
| O=COCCOC=O,447.0 | |
| CCCCCCCCCC[C@H](C)O,525.0 | |
| CC1CC=C(C(C)C)CC1,440.5 | |
| CCCCCCCCF,416.0 | |
| Cc1cccc2c1C=CC2,482.0 | |
| CC(O)C(F)(F)C(F)(F)F,357.0 | |
| C=C(C)F,249.0 | |
| CC(C)(C)C(=O)NN,368.0 | |
| CCCCCCC(=O)Cl,446.0 | |
| Cc1cc(Br)ccc1N,513.0 | |
| Cc1cccc2[nH]ccc12,540.0 | |
| CCOC(=O)CP(=O)(OCC)OCC,534.0 | |
| FC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,325.0 | |
| CCC(C)CCC(C)CC,433.8 | |
| CCCCCC(C)Br,439.0 | |
| CCCN=C=O,356.5 | |
| COc1ccc(CCO)cc1,608.0 | |
| COCC(COC)OC,421.0 | |
| CC[C@H](C)CC[C@@](C)(O)CC,475.2 | |
| FC1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C1(F)F,391.0 | |
| CCOC(=O)C(C)(C)C,391.0 | |
| CC=C(C)C(=O)OCC,429.0 | |
| CNc1nc(NC(C)C)nc(SC)n1,618.0 | |
| C/C=C\CC(C)CC,391.15 | |
| CCCC(C)CC(C)(C)C,421.3 | |
| S=C=NCc1ccccc1,516.0 | |
| CN(C)C(F)(F)C(F)F,350.0 | |
| CCCCc1ccc2ccccc2c1,565.0 | |
| O=Cc1cc(Cl)cc(Cl)c1,513.0 | |
| CCOC(=O)CCC(F)(F)F,400.0 | |
| CCc1cccc(CC)c1,454.1 | |
| CCN(CC)CCOCCO,494.5 | |
| O=C(F)c1ccccc1,433.0 | |
| CCCCC#N,413.0 | |
| O=COCCCc1ccccc1,523.0 | |
| FC(F)OC(F)(F)C(F)C(F)(F)F,320.0 | |
| N#C/C=C(/Cl)C#N,445.0 | |
| O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1Cl,348.0 | |
| CC(C)CCCC(C)(C)C,421.9 | |
| CC(C)COC(=O)CC(C)C,441.5 | |
| COc1ccc(Br)c(C(=O)Cl)c1,383.0 | |
| COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,643.0 | |
| CSc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1,769.0 | |
| C1COCCO1,374.0 | |
| C=CC1CCC2OC2C1,442.0 | |
| CCCCCCCl,408.0 | |
| CC/C=C(/C)C=O,409.5 | |
| Oc1c(F)c(F)c(F)c(F)c1F,416.0 | |
| CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1,589.0 | |
| O=C(O)C(F)C(F)(F)F,393.5 | |
| FC(F)(F)C(F)(Cl)C(F)(F)Cl,307.1 | |
| CCOC(=O)C(=O)C(=O)OCC,482.0 | |
| CC(C)CC(C)CC(C)C,420.6 | |
| C=C1CCOC(c2ccc(O)c(OC)c2)C1,539.0 | |
| CCCCOC(=O)[C@H](C)O,459.0 | |
| Cc1ccc(C(F)(F)F)cc1,402.0 | |
| Cc1cccc(Br)c1C,487.0 | |
| OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO,523.0 | |
| C=C(Cl)Cl,304.4 | |
| CC(=O)c1ccncc1,485.0 | |
| Cc1cc(C=O)ccc1F,481.0 | |
| C#CC(C)C,299.3 | |
| CCCCCCC1CCC(=O)O1,554.0 | |
| O=C1CCCCC1C1CCCCC1,537.0 | |
| CCC(O)C(C)CO,493.45 | |
| C1=CCCCCCC1,418.5 | |
| CCC(c1ccccc1)c1ccccc1,554.6 | |
| CC(C)(C)S,336.5 | |
| C1CCC2=NCCCN2CC1,534.0 | |
| Cc1ccc(C(C)C)c(C)c1,470.0 | |
| CCCCCCC=O,423.0 | |
| C=CCCC(C)CC,386.3 | |
| CCOC(=O)C(=O)NC(=O)OC(C)(C)C,407.0 | |
| Oc1ccc(Br)cc1,511.0 | |
| O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,321.0 | |
| CC(C)(C)CC(C)(C)C,395.2 | |
| Cc1ccc(CO)cc1C,492.5 | |
| O=C1CC=CCC1,443.0 | |
| Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,583.0 | |
| Cc1ccc2c(C)ccc(C(C)C)c2c1,567.0 | |
| CC(=O)OC(OC(C)=O)c1ccccc1,493.0 | |
| CC(=O)c1ccccc1C(C)=O,383.0 | |
| C=CC(C)CCCC,384.0 | |
| Cc1ccccc1CC=O,494.0 | |
| ClC(Cl)C(Cl)(Cl)Cl,435.0 | |
| Cc1ccccc1CC(C)C,469.0 | |
| CC(Cl)CCCCl,435.0 | |
| CC(Cl)=CCCl,400.0 | |
| c1ccc(C2CCOCO2)cc1,523.5 | |
| c1ccc(N(C[C@H]2CO2)C[C@@H]2CO2)cc1,477.0 | |
| O=[N+]([O-])c1ccc(O)cc1,552.0 | |
| c1ccc(Sc2cccs2)cc1,384.0 | |
| CCC1(O)CCCCC1,439.0 | |
| COC(=O)/C=C(\Cl)C(=O)OC,497.0 | |
| CC/C=C\O,396.0 | |
| COC(=O)C=CC(=O)OC,477.5 | |
| CCOC(=O)CC(C)C,405.0 | |
| OCc1c(F)c(F)cc(F)c1F,495.5 | |
| O=[N+]([O-])OCC(O)CO,430.5 | |
| O=COC1CCCCC1,436.0 | |
| CC1(C)CO1,324.5 | |
| CCOC(=O)c1ccc(O)cc1,570.5 | |
| CC(=O)c1sc(C)cc1C,334.0 | |
| COC(=O)c1cccc(C(=O)OC)c1,397.0 | |
| CNC(=O)Oc1cc(C)cc(C)c1,512.7 | |
| C=COCC(C)C,357.0 | |
| COC(C)CCO,434.0 | |
| COCCC(=O)OC,415.5 | |
| Cc1c(N=C=O)cccc1N=C=O,519.5 | |
| O=S(=O)(O)Cl,424.5 | |
| CC(=O)c1ccc(Cl)cc1,505.0 | |
| CCOC(=O)c1ccc2c(c1)OCO2,558.5 | |
| CCC=CCO,411.0 | |
| CC(=O)OC(C)CCCC(C)C,460.0 | |
| CC(=O)c1ccccc1,475.0 | |
| O=C=NC1CCCCC1,442.0 | |
| CC(=O)c1ccc(Cl)s1,390.5 | |
| c1ccc(N(CC2CO2)CC2CO2)cc1,477.0 | |
| N#CC1(C(=O)O)CC1,416.0 | |
| CCCCCCCCCCBr,511.0 | |
| Cc1cc(CO)no1,337.0 | |
| CCC1CCC(C)(C)c2ccc(N=C=O)cc21,362.0 | |
| O=Cc1c(F)c(F)c(F)c(F)c1F,438.0 | |
| CC1CCSC1,412.0 | |
| O=C1c2ccccc2C(=O)c2ccccc21,653.0 | |
| Cc1cccc2ccoc12,463.5 | |
| C=C(Br)Br,365.0 | |
| CCCCCCCCC(O)CO,528.0 | |
| CCC(C)(C)C(=O)Cl,405.0 | |
| O=C(Cl)C(F)(F)C(F)(F)C(=O)Cl,359.2 | |
| C=C1C(=O)O[C@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12,548.0 | |
| Oc1cccc(F)c1,451.0 | |
| CC(C)=CCCl,382.0 | |
| COc1ccccc1N1CCNCC1,404.5 | |
| CCC[C@H](C)CCC(C)C,431.5 | |
| CCCC(=O)CCC(C)C,451.0 | |
| N#Cc1nc(C#N)nc(C#N)n1,535.0 | |
| [C-]#[N+]C(C)c1ccccc1,371.0 | |
| ClCC1CCCO1,423.5 | |
| C=C(C)CC(C)(C)C,374.5 | |
| Cc1cccc([N+](=O)[O-])c1C,518.0 | |
| COC(=O)C(Cl)C(=O)C(C)(C)C,329.0 | |
| CCCC(C)O,391.5 | |
| CNCC(O)CO,520.0 | |
| COc1ccc2c(c1)CCCN2,557.0 | |
| CC1(C)CCCC(O)C1,458.0 | |
| CCc1cc(C)nc(C)c1,460.5 | |
| O=C(Cl)C1CCCCO1,328.0 | |
| C=C(C)CCC,335.0 | |
| O=C(c1ccccc1)n1ccnc1,393.5 | |
| CC1(C)OCC(CO)O1,461.5 | |
| CC/C(Br)=C/Br,423.0 | |
| Cc1cnc[nH]1,536.0 | |
| CN(C=O)c1ccccc1,516.5 | |
| Cc1ccc(C(C)C)cc1O,511.0 | |
| CN(C)N=O,427.0 | |
| O=[N+]([O-])c1ccc(Cl)c(Cl)c1,528.5 | |
| O=[N+]([O-])c1cc(F)ccc1F,479.5 | |
| CC1(C)OC(CO)C(CO)O1,365.0 | |
| C=C(C)C(=O)OCCN(C)C,460.0 | |
| CCC/C=C\C(C)C,385.15 | |
| c1cc(-c2ccncc2)ccn1,578.0 | |
| CC(C)N(C=O)C(C)C,469.0 | |
| CCCCC(C)(C)CCC,430.5 | |
| O=C(Cl)OCCl,380.0 | |
| CC(=O)CC(=O)OC(C)C,459.0 | |
| CC(C)c1cccc(C(C)C)c1N,530.0 | |
| CCCCOC(=O)CC(=O)OCCCC,524.5 | |
| c1ccc(-c2ncc[nH]2)cc1,613.0 | |
| CCC[C@H](C)[C@H](C)CC,413.6 | |
| COCCOC,358.0 | |
| Cc1ccc(CO)cc1,490.0 | |
| CC1(C)CC(N)CC(C)(C)N1,461.5 | |
| CC=CBr,333.5 | |
| COC(=O)CCC(C)=O,469.0 | |
| CCCC[C@@H](C(C)=O)C(=O)OCC,494.5 | |
| C=CC=C(C)C,349.5 | |
| CCOC(OCC)OCC,419.0 | |
| C=C1CCCCC1,375.5 | |
| CC(=O)c1cccc(Cl)c1,501.0 | |
| FC(C(F)(F)F)C(F)(F)OC(Cl)Cl,371.0 | |
| O=C(Cl)/C=C/c1ccccc1,530.0 | |
| CCC=CCCO,429.5 | |
| CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,310.0 | |
| CCCCCCCCC[C@@H](C)C=O,444.0 | |
| C=COC(=O)C=C,364.0 | |
| CCC(C)CC(CC)CC,431.2 | |
| Clc1ccc(Br)c(Cl)c1,508.0 | |
| CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl,625.5 | |
| CC1CCC2C(C1)C2(C)C,442.0 | |
| C=C(Cl)C(=C)Cl,371.0 | |
| CC(C)(C)c1ccc(C(C)(C)C)cc1,509.0 | |
| COc1c(F)c(F)c(F)c(F)c1F,411.5 | |
| C[C@@H]1CCC[C@H](Br)C1,454.0 | |
| CC(C)N(N=O)C(C)C,467.5 | |
| Cc1ccsc1Br,447.5 | |
| C1=CCC=C1,314.0 | |
| C1CCNC1,360.0 | |
| CC(=O)c1cc(C)ccc1O,483.0 | |
| CC(C)CCCC(C)(C)O,453.0 | |
| COC(=O)c1cc(C)cs1,338.0 | |
| O=CC1CC=CCC1,378.0 | |
| CCCCCCCCCOC(C)=O,483.0 | |
| CCC(Br)Br,406.5 | |
| CNC1CCCCC1,422.0 | |
| CC1CC(C)CC(C)(C)C1,425.5 | |
| CC(O)C1CC1,394.0 | |
| c1ccc(P(c2ccccc2)c2ccccc2)cc1,650.0 | |
| CC1CCC(O)CC1C,462.0 | |
| CCCCCCCCCc1ccccc1,555.0 | |
| O=C1C(=O)c2ccccc2-c2ccccc21,633.0 | |
| CNc1ccc(Cl)cc1Cl,342.0 | |
| CC(C)OCCCN,423.0 | |
| CCCC(=O)C(C)C,408.0 | |
| CC(C)(CO)CO,481.0 | |
| CC(C)(C)c1ccccc1O,497.0 | |
| CCCc1ccccc1N,499.0 | |
| CC[C@H](C)N[C@H](C)CC,408.0 | |
| CCC(=O)C(F)(F)F,317.5 | |
| N#CC(C#N)=Cc1ccccc1Cl,585.5 | |
| CCCCSC#N,459.0 | |
| COc1cccc(OC)c1C=O,558.0 | |
| CCCCCCCCCO,487.0 | |
| CC1CCCC(C)C1O,447.4 | |
| CCCCC[N+](=O)[O-],445.5 | |
| CCCCCC(=O)CCC,460.5 | |
| Cc1ccco1,337.5 | |
| Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-],573.0 | |
| N#CC1(c2ccc(Cl)cc2)CCC1,568.0 | |
| O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,518.0 | |
| C=C(C)C(=O)OCCOC(=O)CC(C)=O,373.0 | |
| OCC(F)(F)C(F)(F)C(F)(F)F,368.0 | |
| COc1ccc(C=O)cc1OC,554.0 | |
| CCOP(=O)(OCC)SCCN(CC)CC,588.0 | |
| C/C(=C/CCC1(C)C2CC3C(C2)C31C)CO,574.5 | |
| Brc1cc(Br)c(Br)c(Br)c1,602.0 | |
| Cc1ccc(C)c(N=C=O)c1,483.0 | |
| O=Cc1ccc(F)cc1C(F)(F)F,387.0 | |
| CC(C)=CC=C(C)C,406.0 | |
| C/C=C/[C@@H](C)CC,360.6 | |
| CCc1ccccn1,422.0 | |
| CCOCCC#N,444.0 | |
| CSCCSC,456.0 | |
| CCCCC(C)=O,400.0 | |
| CCCCC(C)(C)CO,445.5 | |
| CC(CCN(C)C)N(C)C,438.0 | |
| CC1CCCCCC1=O,458.0 | |
| CN(C(=O)OC(C)(C)C)C1CCNC1,369.0 | |
| CCCCC(C)CO,437.15 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,381.0 | |
| C=COC(C)(C)C,351.0 | |
| CCC(C)(Cl)Cl,377.0 | |
| Nc1ccc(-c2ccccc2N)cc1,636.0 | |
| CCc1ccc(CC)cc1,457.0 | |
| Fc1cc(F)c(Br)cc1F,416.5 | |
| Cc1ccc(OC(=S)Cl)cc1,518.0 | |
| COCC1CCCO1,413.0 | |
| CCC1C2C=C(C)CCC21,440.5 | |
| Cc1c(F)cccc1Cl,428.0 | |
| FC(F)C(F)C(F)(F)F,279.5 | |
| [C-]#[N+]C(C)(C)C,364.0 | |
| COCCl,332.5 | |
| CCCCCCCCCC(=O)OC,497.0 | |
| Cc1ccccc1C,415.0 | |
| CC(C)C(=O)OC1CCCCC1,477.0 | |
| CCCCCCc1ccc2ccccc2c1,597.0 | |
| CCN(CC)CCCN,442.5 | |
| O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,441.0 | |
| CCCC(=O)OC1CCCCC1,486.0 | |
| CC(C)(C)P(Cl)Cl,419.0 | |
| O=[N+]([O-])c1cccc(C(F)(F)F)c1,475.8 | |
| Cc1ccccc1C=O,472.5 | |
| CCOC(=S)C(=S)OCC,508.0 | |
| CCCCC(C)CCC,415.4 | |
| COS(=O)(=O)F,366.0 | |
| O=C(O)C1CCCCO1,364.5 | |
| CC(=O)Oc1cccc(O)c1,556.0 | |
| CNCCc1ccccc1,476.0 | |
| O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1,493.0 | |
| COc1ccc(C)cc1N,508.0 | |
| O=C1c2ccccc2-c2ccccc21,615.0 | |
| CCCCCCc1ccc(N)cc1,555.0 | |
| CCCN(C(C)=O)c1ccccc1,541.0 | |
| COc1cccc(C(F)(F)F)c1,433.0 | |
| CCCCCCCCCCCC(C)=O,536.0 | |
| CCCCC(C)C,363.0 | |
| CCCCOC(=O)CCCC,458.8 | |
| FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,432.0 | |
| CC(=O)OCCOCCOCCOC(C)=O,559.0 | |
| NC(CO)CO,388.5 | |
| CCCCCCC(C)Cl,445.0 | |
| O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,398.8 | |
| ClP(Cl)c1ccccc1,498.0 | |
| COC(=O)SCl,406.5 | |
| CCOC(=O)c1ccccn1,513.5 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,330.6 | |
| CCOCCOC(C)(C)C,421.0 | |
| CC(=O)OC1CCCCC1,446.5 | |
| CCC(=O)C(=O)CC,403.0 | |
| FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F,375.0 | |
| CC1=C(O)C(=O)OC1C,457.0 | |
| CCCC(=O)C(=O)O,452.0 | |
| Cc1ccc(O)cc1,475.0 | |
| CCCCCCC(C)O,448.0 | |
| CCCCSCCCC,461.5 | |
| O=[N+]([O-])c1ccccc1-c1ccccc1[N+](=O)[O-],578.0 | |
| CC/C=C/CO,411.0 | |
| CCCCCCCCC#N,497.0 | |
| COc1ccccc1NC(C)=O,577.0 | |
| O=C(Cl)c1cccc([N+](=O)[O-])c1,549.5 | |
| FC(F)(F)c1ccc(-n2ccnc2)cc1,363.0 | |
| CCC(C(C)C)C(C)C,409.7 | |
| Cn1ccc2ccccc21,510.5 | |
| CCC[C@@H](C)CC,364.0 | |
| N#CCBr,379.0 | |
| Cc1cccc(C(C)C)c1O,498.5 | |
| CC(C)(c1ccccc1)c1ccc(O)cc1,608.0 | |
| C=CC(C)(C)C,314.0 | |
| NC(=O)c1ccccc1[N+](=O)[O-],590.0 | |
| CC1CCCC1=O,412.5 | |
| Cc1cc(Cl)c(O)c(Cl)c1,504.0 | |
| O=C=NS(=O)(=O)Cl,379.0 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,391.0 | |
| CCCC[C@H](C)[C@H](C)O,439.1 | |
| CC1(C)C2CC=C(C=O)C1C2,493.5 | |
| c1ccc(-c2ccccn2)nc1,545.5 | |
| CCC(=O)OCCOC(=O)CC,484.0 | |
| O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],523.0 | |
| CC(C)CN1CCOCC1,454.0 | |
| O=S(=O)(O)O,563.0 | |
| CCCCCCC1CCCC1,476.0 | |
| C=CCCCCCCCCC,465.7 | |
| O=C(Cl)OCCCCl,450.0 | |
| COc1ccc(COC(C)=O)cc1,508.0 | |
| CCCC(C)Br,389.5 | |
| COC(=O)C(Br)Cc1ccc(OC(F)(F)F)cc1,375.0 | |
| c1ccc2nc3ccccc3nc2c1,633.0 | |
| CC(C)(C)NCc1ccccc1,492.0 | |
| CCCCC(=O)OCc1ccco1,501.0 | |
| CCOC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1,382.0 | |
| O=c1ccocc1,485.5 | |
| CC(=O)Nc1ccccc1,577.0 | |
| CCOC(=O)NC,443.0 | |
| CCC/C(C)=C(\CC)C(C)=O,463.0 | |
| c1ccc2nocc2c1,488.0 | |
| CCc1ncc(C)cc1C,471.0 | |
| CNCCN(C)C,390.0 | |
| O=C(OCCCl)OCCCl,514.0 | |
| C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,396.0 | |
| COC(=O)c1cc(F)c(Cl)nc1Cl,358.0 | |
| CCN(CC)CCNC,431.5 | |
| S=C=Nc1cccc(Cl)c1,522.5 | |
| COP(C)(=O)OC,454.0 | |
| CC(C)/C=C\C(C)C,375.15 | |
| O=CC(Br)(Br)Br,446.5 | |
| CSSC,382.0 | |
| CC[C@H](C)[C@H](C)[C@H](C)O,438.5 | |
| O=C(Cl)Cc1cccc2ccccc12,409.0 | |
| CCCNC,335.0 | |
| CCC(C)CN,368.5 | |
| CC(C)[N+](=O)[O-],393.5 | |
| CCOC(C)(C)C,344.0 | |
| CN(C(=O)Cl)c1ccccc1,553.0 | |
| Cc1cc(C(C)(C)C)cc(C)c1O,521.0 | |
| CC(=O)OC/C=C(/C)CCC=C(C)C,513.0 | |
| C=C(C)C(=O)O,436.0 | |
| CCOC(=O)C(Cl)C(C)=O,473.0 | |
| CC(C)(C)OC=O,355.5 | |
| O=P(Cl)(Cl)Oc1ccccc1,515.0 | |
| c1ccc(C2CO2)cc1,467.0 | |
| CCC=O,321.0 | |
| CCOC[C@H](O)CO,495.0 | |
| CC(Cc1ccccc1)c1ccccc1,553.5 | |
| CC(C)c1cc(C(C)C)cc(C(C)C)c1,507.0 | |
| C#CCO,387.5 | |
| Cc1ccc2ccc(C)cc2c1,536.0 | |
| C1CSCCS1,472.5 | |
| C=CC(=O)OCCOCC,447.0 | |
| FC(F)C(F)(F)[C@@H](F)Cl,301.1 | |
| CCCCCC(=O)CC,440.5 | |
| CCC(C)OC(=O)CCC(=O)OC(C)CC,529.0 | |
| CCC(C)CC,337.0 | |
| CC(C)CCOC(=O)c1ccccc1,534.0 | |
| COCC(C)C,331.6 | |
| CC(C)OC(=O)C(C)Cl,424.5 | |
| CC[C@H]1CC[C@H](C)C1,394.0 | |
| Cc1ccccc1-c1ccccc1C,529.0 | |
| CNCCCN,413.0 | |
| O=COC/C=C/c1ccccc1,525.0 | |
| c1cncc(C2CCCCN2)c1,543.0 | |
| CC1=CC2CC1C1C(C)=CCC21,473.0 | |
| O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21,723.0 | |
| COC(=O)c1ccccc1OC,520.0 | |
| O=[N+]([O-])c1cc(Cl)ccc1Cl,540.0 | |
| CCCC#CCCCCCC,471.5 | |
| CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2,483.0 | |
| CCCCOC(=O)CCC(C)=O,380.0 | |
| O=C1C=CCCC1,441.0 | |
| C=CCCCCCCCCC(=O)O,548.0 | |
| CCOP(=O)(Sc1ccccc1)Sc1ccccc1,427.0 | |
| CCC(C)O[N+](=O)[O-],397.0 | |
| O=C(O)CCCCCCCC(=O)O,510.0 | |
| C=COCCCl,382.0 | |
| CCCCCC(=O)OCCC(C)C,498.5 | |
| Nc1ncccn1,431.0 | |
| CCC/C=C/c1ccccc1,490.0 | |
| CCCc1ccncc1,458.0 | |
| O=S(=O)(Cl)c1c(F)cccc1F,369.0 | |
| C1=CC=CCC=C1,390.0 | |
| CCCCOC(=O)CCC(=O)OCCCC,547.5 | |
| CCOC(=O)C=CCP(=O)(OCC)OCC,407.0 | |
| Clc1ccc(Br)cc1Cl,510.0 | |
| CC(C)(C)C(=O)Cl,378.0 | |
| CCOP(=O)(SC(C)CC)SC(C)CC,388.0 | |
| CCCC,284.9 | |
| CCCC(C)C(C)(C)C,406.6 | |
| CC(=O)CC(C)C(C)=O,469.0 | |
| C=CCN,326.0 | |
| CC(C)CCCCCCO,479.0 | |
| CCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,411.0 | |
| Nc1ccccc1N,530.0 | |
| O=C(C=Cc1ccccc1)c1ccccc1,619.5 | |
| CCCCCCCC=C(C)C,465.2 | |
| O=C(O)[C@H]1CC=CCC1,507.5 | |
| O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,670.0 | |
| OC1C=CC=C(F)C1O,350.0 | |
| C=Cc1ccc(N)cc1,522.0 | |
| Cc1csc(CC#N)n1,355.5 | |
| N#Cc1cc(C(F)(F)F)ccc1Cl,484.0 | |
| OCCSc1ccccn1,380.5 | |
| O=Cc1ccc(Cl)cc1,487.0 | |
| CCCCC(C)CC,391.0 | |
| CN(C)C=S,498.0 | |
| CC(C)C(C)N,358.5 | |
| Nc1ccccc1F,455.5 | |
| CC(C)CC1CCCC1,421.0 | |
| CC1=CC(=O)CCC1(C)C,490.0 | |
| c1ccc(CN2CCCNCC2)cc1,367.5 | |
| C=C/C=C\Cl,341.0 | |
| OC1CCCC1,412.5 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,432.0 | |
| CCCCC(C)(CC)CC,436.8 | |
| O=C(c1ccc(Br)cc1)c1ccc(Br)cc1,668.0 | |
| C/C=C(/C)C(=O)OC,412.0 | |
| CC(C)Sc1ccccc1,481.0 | |
| ClCCCl,356.0 | |
| Cc1ccc(Cl)cc1,435.0 | |
| C#CC(C)=O,358.0 | |
| FC(F)Oc1ccccc1,372.0 | |
| C=C(C)CCC(C)=O,423.0 | |
| CC1=CC[C@@H](C(C)(C)O)CC1,490.5 | |
| COc1c(Br)cc(Br)cc1Br,571.0 | |
| O=C=NCc1ccccc1Cl,511.0 | |
| CCOC(=O)c1ccccc1,485.0 | |
| CC(C)CCCCCO,461.0 | |
| C1CCC2CC2C1,389.5 | |
| CC(C)CC(=O)OC(=O)CC(C)C,488.0 | |
| C=Cc1ccc(F)cc1,419.5 | |
| Cc1ccc2cccc(C)c2n1,528.3 | |
| c1ccc2nccnc2c1,494.5 | |
| C#CCCC#C,359.0 | |
| CCOP(=O)(Cc1cccc2ccccc12)OCC,476.5 | |
| Cc1cccc(N)c1C,494.5 | |
| C/C=C/CC(C)C,361.1 | |
| OC1C=CCCC1,437.0 | |
| COc1cc(C(C)=O)ccc1O,570.5 | |
| COC(=O)CC(C)C(=O)OC,469.0 | |
| FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F,373.5 | |
| CCC[N+](=O)[O-],405.0 | |
| N#CCc1coc2ccccc12,393.0 | |
| C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,375.0 | |
| O=C(CBr)c1ccc(Br)cc1,414.5 | |
| OCc1cccc(CN2CCOCC2)c1,438.0 | |
| C1=NN(c2ccccc2)CC1,546.0 | |
| CC(C)C/C=N/O,434.3 | |
| C=CCC,266.8 | |
| OC(c1ccccc1)(c1ccccc1)c1ccccc1,633.0 | |
| C=CCCCC#N,435.5 | |
| CCCC(CCC)C(C)C,431.9 | |
| CC(C)C(O)c1ccccc1,496.0 | |
| CCC(C)COC(C)=O,413.0 | |
| C[C@@H]1CC1(C)C,327.0 | |
| O=[N+]([O-])c1ccccc1Br,531.0 | |
| Fc1c(F)c(F)c(CBr)c(F)c1F,447.5 | |
| COC(=O)C(C)=O,408.5 | |
| CC12CCC(CC1)C2(C)C,434.0 | |
| CC(=O)Oc1ccccc1,469.0 | |
| NCCCO,460.5 | |
| O=C=NCc1ccc(F)cc1,320.0 | |
| CC(=O)CC(=O)c1ccccc1,534.5 | |
| C/C=C/c1ccccc1O,493.0 | |
| CC(C)CC(C)(C)O,406.1 | |
| CCCC(C)S,385.9 | |
| c1ccc2c(c1)OCCO2,521.0 | |
| CC1CCCNC1=O,522.5 | |
| CCCCCCCC(C)C,440.1 | |
| COC(C)CC(OC)OC,430.0 | |
| COc1cccc(CC(=O)c2cccc(F)c2)c1,401.0 | |
| C1=CCCCC=C1,393.5 | |
| NC(=O)C(F)(F)F,435.5 | |
| CC(C)(C)c1cccc(C(C)(C)C)c1O,526.0 | |
| CC(C)C(C)(O)C(C)C,429.5 | |
| Cc1cccc(F)n1,413.5 | |
| CCCc1cccs1,432.5 | |
| C1CCC(OC2CCCCC2)CC1,515.5 | |
| CCc1cccc(N)c1,485.0 | |
| CCC(C)ON=O,341.5 | |
| BrCOCBr,427.5 | |
| Cc1csc(N)n1,504.5 | |
| CC(C)CC(C)(C)C,371.5 | |
| Cc1ccc2ccc(C)nc2c1,537.5 | |
| N#CCc1ccc(N)cc1,585.0 | |
| CC(=O)OCC(F)(F)F,351.0 | |
| CCCOC(=O)Cl,388.2 | |
| NCc1cccc(N2CCCCC2)n1,365.0 | |
| CC1=CC(=O)CC(C)C1,484.5 | |
| CCCCOC1CCCO1,395.5 | |
| C[C@@H]1C=CC(=O)O1,482.0 | |
| CCC(CC)[C@@H](C)CC,413.0 | |
| C=CCC=CC,338.0 | |
| CC(C)C(Cl)Cl,379.5 | |
| CCCC(=O)C(C)=O,401.0 | |
| Cc1cccc(C)c1Br,476.5 | |
| CC(CO)OCC(C)OC(C)CO,544.0 | |
| N#Cc1ccccc1Br,525.0 | |
| FC(F)(F)C(F)(F)C(F)(F)CC1CO1,384.5 | |
| ClP(N1CCOCC1)N1CCOCC1,363.0 | |
| Brc1ccccc1-c1ccccc1,570.5 | |
| c1ccc2c(c1)ccc1[nH]c3ccccc3c12,721.0 | |
| Cc1cccc(C)c1Cl,455.5 | |
| O=Cc1cccc([N+](=O)[O-])c1,560.5 | |
| CC(C)CC=O,363.0 | |
| OCCCC(F)(F)F,398.0 | |
| F[C@@H](OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,314.0 | |
| CC(=O)Cc1ccccc1,489.0 | |
| CCCC/C=C/C(=O)O,499.5 | |
| CC(C)(C)C1CCCCC1O,482.0 | |
| Cc1cccc(C(C)(C)C)c1O,503.0 | |
| c1c2c(cc3c1CCCC3)CCCC2,567.0 | |
| C#CCC(C)C,334.5 | |
| CSCCN,421.0 | |
| C=C(C)Br,321.0 | |
| c1cc2c3c(c1)CC[C@@H]3CCC2,522.0 | |
| CC(C)CCN,369.0 | |
| ClC(Br)Br,390.5 | |
| CCc1cccc(C)c1N,504.0 | |
| CCCCOS(=O)OCCCC,503.0 | |
| CCC(C)N=O,425.5 | |
| C/C=C(\C)C(C)C,362.0 | |
| N#CCCC#N,539.0 | |
| Brc1cccc(C2OCCO2)c1,405.5 | |
| CC[C@H]1CCc2ccccc21,485.0 | |
| ClCCCCCCCl,481.0 | |
| CC1SC(C)SC(C)S1,519.5 | |
| C(=C/c1ccccc1)\c1ccccc1,580.0 | |
| COC(=O)c1cccnc1,482.0 | |
| COCC(C)OCC(C)OC(C)=O,473.0 | |
| Fc1cccc(-n2ccnc2)c1,353.0 | |
| COC(C(F)(F)F)C(F)(F)F,323.0 | |
| N#CC#CC#N,349.5 | |
| C=CC(C)CCCCC,411.39 | |
| ClCC(Br)CBr,469.0 | |
| CCC(CC)C(C)(C)O,429.15 | |
| BrCc1ccc(CBr)cc1,518.0 | |
| CCOC(=O)C(F)Cl,402.0 | |
| CC/C=C(\C)C=C(C)C,411.0 | |
| CCC/C=C/C(=O)O,489.5 | |
| CCSc1ccc(C)cc1,493.0 | |
| Cc1cccc2c1CCC2,478.3 | |
| CCC1CCC(C)(C)c2ccc(C(=O)Cl)cc21,380.5 | |
| C=CCCCCCCCCO,509.0 | |
| OCc1ccc(Cl)c(Cl)c1,422.5 | |
| O=[N+]([O-])c1ccc(CCl)cc1,385.0 | |
| CCCl,285.3 | |
| CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,382.0 | |
| Nc1cccnc1Cl,405.0 | |
| Cc1ccc2cccc(C)c2c1,536.0 | |
| C=CC=C,268.6 | |
| FC(Cl)C(F)(Cl)Cl,345.5 | |
| Cc1ccccc1CC#N,520.0 | |
| COc1cccc(C(C)=O)c1,513.0 | |
| ClCC(Cl)=C(Cl)Cl,440.0 | |
| O=C(O)C(F)(F)C(F)(F)C(F)(F)F,394.4 | |
| CCCCCC(=O)OCCC,460.0 | |
| CC(=O)C1CCCCC1=O,498.0 | |
| C=CCP(=O)(OCC)OCC,370.0 | |
| CCCCCC(=O)OC(=O)CCCCC,520.0 | |
| CC(C)c1ccccc1Cl,464.1 | |
| O=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1,403.0 | |
| c1cncc([C@@H]2CCCCN2)c1,549.0 | |
| C/C(=C\C(=O)c1ccccc1)c1ccccc1,615.5 | |
| CC(C)CC(=O)CC(C)C,442.4 | |
| CCCOC(=O)[C@H](C)O,443.0 | |
| CCOC(=O)Cc1ccc(O)cc1,414.5 | |
| CC(=O)CCC(=O)OCC(C)C,501.0 | |
| CC(Cl)CBr,391.0 | |
| CC(C)(C)C=O,348.0 | |
| c1ccccc1,352.1 | |
| CN1C2CC3CC1C(O3)C2O,521.0 | |
| COc1ccccc1CN,505.0 | |
| CC(C)C(c1ccccc1)C(C)C,493.7 | |
| O=C=C=C=O,279.8 | |
| CCCC(C)(O)CCC,434.0 | |
| CCOC(=O)[C@@H]1CC=CCC1,467.5 | |
| C/C=C/CCl,346.0 | |
| CCCc1ccccn1,440.0 | |
| CCOC(=O)CC(=O)C(F)F,435.0 | |
| CC/C=C(/C)CC,368.55 | |
| OCCOCCOCCOCc1ccccc1,405.5 | |
| NNCCO,492.0 | |
| CC12CCC(C1)C(C)(C)C2=O,466.0 | |
| C1CC2CC12,318.5 | |
| CCOC(=O)C1CCN(Cc2ccccc2)CC1,395.0 | |
| Cn1c(=O)n(C)c(=O)n(C)c1=O,547.0 | |
| O=C(O)C(Br)(Br)Br,518.0 | |
| CC1CCC(C)CC1,399.0 | |
| C1CCN(CCN2CCCCC2)CC1,538.0 | |
| O=C(O)/C(F)=C/c1ccccc1,563.0 | |
| CC=CC(C)O,433.5 | |
| COC(=O)c1ccc(C)cc1O,516.0 | |
| COc1ccc(F)c(C)c1,447.5 | |
| OCc1ccco1,443.0 | |
| O=CC=O,323.4 | |
| CCOc1ccc(C=O)cc1OCC,552.0 | |
| Oc1cccc2ccccc12,552.0 | |
| O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,364.0 | |
| CC(C)C(=O)C(=O)O,443.5 | |
| FC(F)C(F)(F)Cl,263.0 | |
| Cc1ccc(N)cc1N,557.0 | |
| BrCCCCCBr,497.0 | |
| CCC(=O)c1ccc(F)cc1F,324.5 | |
| CC=COCC,344.5 | |
| CCCCCCCCOC(C)=O,484.0 | |
| COc1ccc(C(OC)OC)cc1,508.0 | |
| CCC[C@H](CC)C(C)C,411.0 | |
| COC(=O)c1cnc(Cl)nc1C(F)(F)F,350.0 | |
| Cc1ccc(C=O)c(O)c1,496.0 | |
| c1ccc2c(c1)Cc1ccccc1C2,578.0 | |
| OCCCCCCCO,532.0 | |
| CNc1cccc(Cl)c1,340.0 | |
| O=[N+]([O-])c1ccc(Cl)cc1Cl,531.0 | |
| CC(CCl)CCl,409.4 | |
| CCc1ccccc1CC,457.0 | |
| NCCCCCCN,477.5 | |
| Cc1ccc(F)nc1,427.0 | |
| FC(Cl)C(F)(F)Cl,302.5 | |
| O=C(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,328.0 | |
| CC(Cl)=C(Cl)Cl,391.0 | |
| CCS(=O)(=O)CC,521.0 | |
| FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)F,308.5 | |
| CCOC(=O)C(C)(C)CCl,312.0 | |
| S=C=NC(c1ccccc1)c1ccccc1,409.0 | |
| Nc1cccc(Br)c1,524.0 | |
| CC1OC(C)OC(C)OC(C)O1,464.0 | |
| Cc1cccc2[nH]nnc12,433.0 | |
| ClC[C@H]1CO1,389.0 | |
| N#Cc1ccncc1,469.0 | |
| Nc1ccccc1OC(F)F,478.0 | |
| C=C(C)C(=O)OCC(F)(F)C(F)F,397.0 | |
| Cc1cccc(CC#N)c1,513.5 | |
| NCCN1CCCCC1,459.0 | |
| O=C(O)CCC(=O)O,508.0 | |
| CC(=O)c1ccc(-c2ccccc2)cc1,599.0 | |
| C=C(Cl)c1ccccc1,472.0 | |
| CCCCNc1ccccc1,514.0 | |
| CC(C)(C)C(=O)c1ccccc1,493.0 | |
| CCOCCOC(C)=O,429.0 | |
| [C-]#[N+]CC(=O)OCC,468.0 | |
| C[C@H]1OCC[C@@H](C)O1,389.5 | |
| CCCCC(C)(O)CC,436.0 | |
| FCCCCl,353.0 | |
| Fc1c(F)c(F)c(Br)c(Br)c1F,471.0 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F,375.6 | |
| COC1CC1,317.7 | |
| CCC(=O)OCCc1ccccc1,511.0 | |
| CC(=O)OC/C=C(\C)CCC=C(C)C,508.0 | |
| COc1ccccc1N,498.0 | |
| CC(C)NNC(C)C,398.0 | |
| C#CC(C)(C)O,377.0 | |
| CC1(C)CCC(C)(C)C1,391.0 | |
| FC(F)(F)c1cccc(-n2ccnc2)c1,343.0 | |
| CC1CCOS(=O)O1,458.0 | |
| CN1CCCC1=O,475.0 | |
| CCC/C=C(/C=O)CC,468.0 | |
| c1ccc2nsnc2c1,479.0 | |
| CN(C)C(=N)N(C)C,434.0 | |
| O=C1CCCC1C1CCCC1,505.5 | |
| OC/C=C\CO,508.0 | |
| Cc1c(Cl)cccc1Cl,472.5 | |
| O=Cc1ccc([N+](=O)[O-])o1,501.0 | |
| CCC1SC(C)(C)SC(C)(C)S1,325.0 | |
| C#CCCCCCl,404.0 | |
| C=CCC(C(C)=O)C(C)=O,472.0 | |
| CCC(O)CCC(F)(F)F,413.6 | |
| C=C(C)CC(C)CC,385.25 | |
| CCN(CC)C(=O)CC(C)C,484.0 | |
| CCOC(=O)C(C)C(C)=O,460.0 | |
| C1CCC2OC2C1,402.5 | |
| Cc1cc(C)c(N(C)C)c(C)c1,487.0 | |
| NCc1cccc(-n2cncn2)c1,414.0 | |
| C=CC(OCC)OCC,395.5 | |
| F/C(Cl)=C(/F)Cl,294.1 | |
| CCN(N)CC,372.0 | |
| Brc1ccccc1-n1cccc1,383.0 | |
| CN1CN(C)CN(C)C1,435.8 | |
| CCCCCC[C@H](O)CCCCC,498.0 | |
| O=C(Cl)c1cccs1,479.5 | |
| O=C(c1ccccc1)C(F)(F)F,436.0 | |
| CCCCC(CC)COC(=O)Cl,480.0 | |
| OCc1cc2ccccc2o1,367.0 | |
| COC(=O)CC(=O)CCl,485.5 | |
| CC/C(C)=C\C(C)C,382.15 | |
| Oc1cc(Cl)cc(Br)c1,529.0 | |
| Brc1ccc(Sc2ccc(Br)cc2)cc1,541.0 | |
| CCC(CC(C)C)C(C)C,427.1 | |
| O=[N+]([O-])c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1,370.0 | |
| Clc1ccc2cc(Cl)ccc2c1,558.0 | |
| O=C(O)c1cc(F)c(F)cc1Cl,531.0 | |
| CCOC(F)(F)C(F)C(F)(F)F,344.0 | |
| Cc1ccc(CN)cc1,468.0 | |
| O=C(Cl)C1CCCCC1,457.0 | |
| CCC(C)OC(=O)Cl,399.0 | |
| O=C(c1ccc(Cl)cc1)C(F)(F)C(F)(F)F,459.0 | |
| COC[C@H](C)N(C(=O)CCl)c1c(C)csc1C,553.0 | |
| FC(F)=C(F)Cl,245.2 | |
| CC(C)(C)O,356.0 | |
| c1cncc(C2CCCN2)c1,543.0 | |
| CCCCCCCN,427.5 | |
| CCCCS(=O)(=O)CCCC,564.0 | |
| ClC(Cl)C(Cl)(Cl)C(Cl)Cl,491.5 | |
| Cc1nc(C)c(C)nc1C,463.0 | |
| Oc1ccc2c(c1)CCCC2,548.5 | |
| C1CC2OC2C1OC1CCC2OC12,476.0 | |
| c1ccc2c(c1)Cc1c-2ccc2ccccc12,678.0 | |
| CC1(C)[C@H]2CC[C@]1(C)C(=O)OC2=O,543.0 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,271.1 | |
| CCCC(C=O)CCC,433.0 | |
| CCC(=O)N(CC)CC,464.0 | |
| OCCCCC(O)CO,451.0 | |
| N#CC(C#N)=C(C#N)C#N,496.0 | |
| ClCC(Cl)Cl,385.5 | |
| O=C(Nc1ccccc1)Nc1ccccc1,535.0 | |
| CCCCCCCCOC(=O)CC,501.0 | |
| CCOC(C)(C)OCC,387.0 | |
| O=C1CCCCCC1,452.0 | |
| COC(N)=O,449.5 | |
| CC(C)Cc1nccs1,453.0 | |
| ClC(c1ccccc1)c1ccccc1,543.0 | |
| CCCCC/C=C\CCCCCC,505.45 | |
| CC(C)OCCO,416.0 | |
| O=C(O)c1cc2ccccc2o1,585.5 | |
| O=C(Cl)c1cnc(Cl)nc1C(F)(F)F,327.0 | |
| FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,357.5 | |
| CC(C)(C)C1=NCCC1,383.0 | |
| CC1CCC(=O)O1,480.5 | |
| CCOP(Cl)N1CCOCC1,325.5 | |
| CO[C@@H]1C=C[C@H](OC)O1,434.0 | |
| CC(O)c1ccccc1,477.0 | |
| C=CC(=O)O,414.0 | |
| CC1(C)CC(C)(c2ccccc2)c2ccccc21,581.5 | |
| O=CNc1ccccc1,544.0 | |
| CSC(SC)SC,499.0 | |
| Nc1nccs1,390.0 | |
| CC(C)CCCC(C)O,447.0 | |
| Cc1cccc(Cl)c1C=O,347.0 | |
| N#Cc1cc(Cl)ccc1N,406.5 | |
| Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1,679.0 | |
| Clc1cc2c(Cl)c(Cl)c(Cl)cc2c(Cl)c1Cl,643.0 | |
| CCCCCCC(=O)CCCCCC,534.0 | |
| C=C(CC(=O)OCC)C(=O)OCC,501.0 | |
| O=C=Nc1cccc(Br)c1,493.0 | |
| CCOc1ccc(OCC)cc1,519.0 | |
| O=[N+]([O-])c1ccccc1O,488.0 | |
| O=C1CCC1,372.0 | |
| N#CCCCl,448.5 | |
| CC(=O)c1ccc(C#N)s1,369.0 | |
| CCC(=O)c1ccc(OC)cc1,547.0 | |
| Oc1ccc(O)c(Cl)c1,536.0 | |
| CCCCOC(=O)C(O)C(O)C(=O)OCCCC,433.0 | |
| Cc1cccc2nccnc12,518.0 | |
| CCCCCCCCCCOC(C)=O,517.0 | |
| CC(C)CC(N)CO,482.0 | |
| C[C@H](N)Cc1ccccc1,476.0 | |
| CC1C[C@@H](C)N[C@H](C)C1,418.0 | |
| COc1ccco1,383.5 | |
| ClCc1ccccc1CCl,513.0 | |
| COc1ccc([N+](=O)[O-])cc1,533.0 | |
| Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F,479.0 | |
| Cl/C=C(Cl)\C(Cl)=C/Cl,461.0 | |
| C=CC(C)(O)CCC=C(C)C,470.0 | |
| CC/C=C/CC,340.0 | |
| Cc1ccc(C)c(Br)c1,472.0 | |
| Fc1ccncc1,382.0 | |
| CCN(CC)c1ccc(N)cc1,541.0 | |
| C1=CCCCCC1,387.6 | |
| CC(=O)C1CCN(C(C)=O)CC1,405.0 | |
| CCCCN(CCO)CCCC,502.0 | |
| CCOC(=O)C(=O)Nc1ccccc1,553.0 | |
| CCCCCCOC(=O)c1ccccc1,545.0 | |
| CCOC(CCl)OCC,430.0 | |
| C=C(C)C1CCC(C)C(OC(C)=O)C1,506.0 | |
| C=C1CCCC1,348.5 | |
| CC(C)CC(N)=O,499.0 | |
| C1CO1,283.6 | |
| CCCC=CCOC(C)=O,438.5 | |
| CCc1cccc2ccccc12,531.6 | |
| CC(C)=C1OC(=O)C1(C)C,443.0 | |
| COC(=O)C(F)(F)F,316.2 | |
| O=C(O)c1ccc2c(c1)C(=O)OC2=O,663.0 | |
| c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12,797.0 | |
| CC(N)c1ccco1,421.5 | |
| CCCCc1ccccn1,465.0 | |
| C=C/C=C\C#N,409.5 | |
| CCCCOC(=O)c1ccccc1,523.0 | |
| OCC(F)(F)C(F)F,382.5 | |
| c1ccc(Cc2cccc3ccccc23)cc1,623.0 | |
| C#C/C(C)=C\C,339.5 | |
| CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1,390.0 | |
| C#C[C@@H](C)O,379.5 | |
| CC(Cl)CO,403.0 | |
| Fc1ccccc1-c1ccccc1,521.0 | |
| CC(N)CN,392.5 | |
| C=C[C@@H]1CC[C@H]1C=C,385.5 | |
| Clc1ccc(Oc2ccccc2)cc1,557.0 | |
| CC(C)(C)OOC(C)(C)C,382.5 | |
| CC1=CCCCC1,383.5 | |
| Cc1cn(C)c2ccccc12,531.5 | |
| CC(c1ccccc1)N1CCNCC1,365.5 | |
| N#CCCCCC#N,568.0 | |
| O=C(OC(=O)C(Cl)Cl)C(Cl)Cl,488.0 | |
| O=Cc1ccccc1O,470.0 | |
| O[C@@H]1CCc2ccccc21,493.0 | |
| O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1,665.0 | |
| CC1C(=O)CCc2ccccc21,534.0 | |
| CCC(C)C(C)C(C)C,412.1 | |
| FC(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F,412.0 | |
| COc1cccc(O)c1,517.0 | |
| O=C(O)/C=C/c1ccccc1,573.0 | |
| CC(=O)CCC(=O)O,518.5 | |
| CCCCCC(C)(C)O,429.0 | |
| CC1(C)OCCO1,365.5 | |
| Fc1nc(F)c(Cl)c(F)n1,388.0 | |
| C=CC(C)(CCC=C(C)C)OC(C)=O,493.0 | |
| C/C=C/C=C/C(=O)OCC,468.5 | |
| CN(N)c1ncc(C(F)(F)F)cc1Cl,345.0 | |
| C[C@@H](O)C1CCCCC1,462.0 | |
| CC(=O)c1c(Cl)ccc(F)c1Cl,525.5 | |
| C/C=C\Cl,305.8 | |
| CC(=O)C1CCC1,407.5 | |
| CC1CCC(C(C)C)CC1,443.7 | |
| CC[C@H](C)C(C)(C)C,383.0 | |
| Cc1c(N)cccc1[N+](=O)[O-],578.0 | |
| CC(C)C(O)C(C)C,412.5 | |
| CCCCCBr,403.0 | |
| CC(Cl)(Cl)C(Cl)Cl,426.0 | |
| ClC[C@H](Cl)c1ccccc1,506.5 | |
| O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12,671.5 | |
| CCCSSCCC,468.5 | |
| CC(=CCO)CCC1OC(C)(C)OC1(C)C,388.0 | |
| CCc1ccc(C)cc1C,461.4 | |
| C#COCC,323.0 | |
| O=C1OC(=O)c2cc(Cl)c(Cl)cc21,586.0 | |
| C#C/C=C/C,317.6 | |
| CC(C)=CCC[C@@H](C)CC=O,480.0 | |
| C[C@H]1C=CCC1,337.9 | |
| CC(CC=O)CCCC(C)(C)O,514.0 | |
| CC(O)C(C)C(C)O,484.5 | |
| CCOc1ccc2ccccc2c1,555.0 | |
| C[C@@H]1CCO1,332.0 | |
| FCCCCCCl,416.2 | |
| COc1cc(OC)c(N)c(OC)c1,399.0 | |
| C=C(CCl)CCl,412.0 | |
| CCCc1c(C(=O)OCC)cnn1-c1ccccc1,410.0 | |
| Cc1ccc(Nc2ccc(C)cc2)cc1,603.5 | |
| c1ccc2c(c1)ccc1c3ccccc3ccc21,721.0 | |
| Cc1ccccc1S,467.0 | |
| Cc1cc(C)n(C)n1,442.0 | |
| Brc1cccc(OCCN2CCOCC2)c1,415.0 | |
| CC(O)(C(F)(F)F)C(F)(F)F,334.0 | |
| Oc1c(Cl)cccc1Cl,492.0 | |
| C(OCC1CO1)C1CO1,533.0 | |
| O=Cc1cccs1,471.0 | |
| CC(C)C[N+](=O)[O-],413.5 | |
| O=C(O)c1cccc(Br)c1,553.0 | |
| CCC(CO)(CO)CO,433.0 | |
| O=C(Cl)C(=O)Cl,336.5 | |
| CC(C)N(CCO)C(C)C,463.0 | |
| CCOC(=O)C(C)C(=O)OCC,471.5 | |
| COCCOCCOC,435.0 | |
| CC(C)CCOC(=O)C(=O)OCCC(C)C,540.5 | |
| c1ccc2ocnc2c1,455.0 | |
| CCOc1nc(C(Cl)(Cl)Cl)ns1,461.0 | |
| Nc1c(Cl)cc(Cl)cc1Br,546.0 | |
| CC1=CC(=O)C2(C(C)C)CC12,493.0 | |
| C=C(C=O)CC,365.5 | |
| c1ccc(CNc2ccccn2)cc1,396.5 | |
| C=Cc1ccccc1Br,482.2 | |
| CC(C)(N)CN1CCCCC1,341.5 | |
| CC=CC(=O)OC,392.0 | |
| Sc1ccccc1,441.0 | |
| CC=Cc1ccc2c(c1)OCO2,526.0 | |
| CCN1C(=O)CCC1=O,509.0 | |
| C=COC(=O)CC,364.2 | |
| C1CSCS1,448.0 | |
| C=C(C)CCC=C(C)C,416.0 | |
| CCCCCCCCCCC#N,526.0 | |
| C/C=C/C(=O)OC,394.0 | |
| O=C(CC(=O)C(F)(F)F)c1ccco1,476.0 | |
| COCC#N,392.0 | |
| CC(C)c1ccc(O)c(O)c1,544.0 | |
| CC(=O)OC(C)C#N,445.5 | |
| CCC(O)c1ccccc1,492.0 | |
| CCCCCCC(C)CCC,460.0 | |
| Cc1cncnc1,426.0 | |
| Clc1ccsc1Cl,442.5 | |
| CC(C)(O)CCCC1=CCC(C=O)CC1,580.1 | |
| CSC#N,404.0 | |
| COC(=O)CC(C)=O,442.5 | |
| FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,330.0 | |
| COc1ccc(N)c(C)c1,521.5 | |
| O=C(Cl)CCCCl,446.5 | |
| O=C1NC2C=CC1C2,377.0 | |
| CC(C)CN(CCO)CC(C)C,487.0 | |
| O=C(O)Cc1cccc(F)c1,424.0 | |
| C=CCCCCC=C,390.5 | |
| C/C=C/CCCCC,397.0 | |
| O=C(O)C1CCCCC1,505.5 | |
| CCC(C)=O,353.0 | |
| O=[N+]([O-])CCl,395.5 | |
| CC(=O)c1cccc([N+](=O)[O-])c1,475.0 | |
| CCCOC(=O)C(=O)OCCC,484.0 | |
| C[C@@H]1CCOC1,359.5 | |
| C/C=C/C(C)C(=O)O,472.0 | |
| FC1(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(C1(F)F)C23F,445.0 | |
| CC(O)C(C)(C)C,393.0 | |
| CCCCCN1CCCCC1,471.2 | |
| C/C=C\CO,396.0 | |
| FC(F)(Cl)C(F)(Cl)C(F)(F)Cl,346.7 | |
| O=C=NCCCl,408.0 | |
| O=C(C(Br)Br)C(F)(F)F,385.0 | |
| O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,368.5 | |
| C1CCCCCCCCC1,475.0 | |
| COC(F)=C(C(F)(F)F)C(F)(F)F,374.0 | |
| CCCCOC(=O)CC#N,503.9 | |
| C1=Cc2ccccc2C1,454.0 | |
| CCCCCCOC(C)=O,442.0 | |
| FC(F)(F)SSC(F)(F)F,307.6 | |
| CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1,537.0 | |
| O=C(c1ccccc1)c1ccc(Br)cc1,623.0 | |
| N#CC(F)C(F)(F)F,314.0 | |
| CC(C)C1CCC(C)C(O)C1,490.5 | |
| Brc1ccsc1Br,403.0 | |
| C=C(C)CCC(C)C,384.6 | |
| c1ccc2c(c1)NCCN2,562.0 | |
| CCCCCCCCON=O,447.5 | |
| ClC=CCl,333.0 | |
| CC/C=C/C(C)CC,385.15 | |
| CC[C@H]1CCCC[C@@H]1C,424.7 | |
| O=[N+]([O-])c1cccc(Cl)c1,509.0 | |
| C=CC(=C)F,285.0 | |
| CSC,311.0 | |
| CC#CCCCCC,410.6 | |
| Oc1cc(Cl)cc(Cl)c1,506.0 | |
| ClC(Cl)Br,360.0 | |
| C=CCC=C,299.0 | |
| C#CC(O)CC,397.0 | |
| CCCCSCC,417.3 | |
| CC1=CCC2C(C1)C2(C)C,441.0 | |
| CCCCCN=C=O,409.5 | |
| C=CCc1c(F)c(F)c(F)c(F)c1F,421.5 | |
| CC(C)CO,381.0 | |
| N#CCc1c[nH]c2ccccc12,431.0 | |
| C/C=C(/C)C(C)C,362.3 | |
| Sc1ccc(Br)cc1,503.5 | |
| Cc1cc(O)c(C(C)(C)C)cc1C,531.5 | |
| CCC1OC(=O)C(O)=C1C,376.0 | |
| c1ccc2ccccc2c1,491.0 | |
| c1ccc2[nH]cnc2c1,633.0 | |
| C=CCNC(=O)CCl,345.5 | |
| N#CC=CC(F)(F)F,357.5 | |
| Cc1cc(C)c(C)c(O)c1C,520.0 | |
| ClSC(Cl)(Cl)Cl,420.0 | |
| OCC#CCO,511.0 | |
| CC(C)COC(=O)c1ccccc1,514.0 | |
| N#Cc1cc(Br)c(O)c(Br)c1,591.7 | |
| CC(=O)C(c1ccccc1)c1ccccc1,580.0 | |
| OC(O)C(Cl)(Cl)Cl,370.5 | |
| CC1CCCC(C)C1C,417.0 | |
| CC(CC=O)CC(C)(C)C,446.0 | |
| C[C@@H]1C[C@H]1C,301.2 | |
| CC(Cl)C(C)(C)Cl,402.0 | |
| FC1CCCCC1,377.0 | |
| O=C(CCl)C(Cl)(Cl)Cl,456.0 | |
| C=CC(Cl)CCl,396.0 | |
| Cc1cc(S)c(C)o1,449.0 | |
| O=C1C=C(c2ccccc2)CC1,507.2 | |
| O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,626.0 | |
| C#CC(O)CCCCC,455.0 | |
| COc1ccc(C)cc1C,464.0 | |
| NC(c1ccccc1)c1ccccc1,568.0 | |
| CCCCCCNCCCCCC,509.0 | |
| CCOc1ccccc1N1CCNCC1,392.0 | |
| CCC(C)(O)CCC(C)C,446.0 | |
| c1ccc(-c2coc(-c3ccccc3)n2)cc1,612.0 | |
| C=CC(C)(C)O,371.5 | |
| FC(F)(F)c1ccccc1Cl,425.0 | |
| CCOC(=O)C1(C(=O)OCC)CCCC1,483.0 | |
| CC(=O)OC/C=C/c1ccccc1,538.0 | |
| C=C/C=C/C#N,409.5 | |
| O=C(O)c1ccc2ccccc2c1,573.0 | |
| OCCSSCCO,433.5 | |
| CCc1cc(C)ccc1C,459.9 | |
| C#CCOC,336.0 | |
| CC(C)CCCCCCCO,493.0 | |
| Oc1c(Br)cc(Br)cc1Br,559.0 | |
| NCCOCCO,494.0 | |
| C/C=C(\CC)CCC,394.15 | |
| CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,593.0 | |
| CC(C)CCl,341.5 | |
| CCCc1cccc(O)c1,501.0 | |
| BrCC=CCBr,478.0 | |
| CCCCOCCOCC(C)O,503.0 | |
| CC1CCCCC1C,399.0 | |
| CN(C)CCN,379.2 | |
| CNc1ccc(Cl)c(Cl)c1,350.0 | |
| CCC(C)CC(C)(C)CC,428.7 | |
| O=[N+]([O-])c1cc(Br)ccc1F,513.5 | |
| CCC1CCC(=O)CC1,466.0 | |
| FC(F)(F)C(F)(Br)C(F)(F)Br,346.0 | |
| CCc1ccc2ccccc2n1,518.5 | |
| C=CCc1c(O)cccc1OC,523.5 | |
| C=CCCCCCCCCCC,486.0 | |
| CCN=C=S,404.0 | |
| OCC=Cc1ccccc1,531.0 | |
| NC(=O)c1cccc([N+](=O)[O-])c1,585.5 | |
| C[C@H]1CC[C@@H](C)C1,363.8 | |
| ClC1CCCCC1Cl,466.5 | |
| CC(=O)Oc1ccc(C)cc1,485.5 | |
| CCCCCCCCCCCCCl,533.0 | |
| O=C(OC(Cl)(Cl)Cl)C(Cl)(Cl)Cl,464.5 | |
| CC(=O)c1ccc(C)c(C)c1,516.0 | |
| CCCC(=O)OC[C@H](O)CO,553.0 | |
| CC12CCC(C(=O)OC1=O)C2(C)C,543.0 | |
| ClCBr,341.0 | |
| CCC(C)OC,338.0 | |
| CC1CC1(C)C,327.0 | |
| CCCCCCCCCC(=O)O,542.0 | |
| FC(F)OC(F)F,279.4 | |
| CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC,553.0 | |
| CN(C)CCOc1ccc(C#N)cc1,389.0 | |
| CCCCCCCCCCC(C)O,522.5 | |
| Pc1ccccc1,433.5 | |
| C1CSC1,368.0 | |
| Cc1ccnc(C)c1C,465.5 | |
| BrCC1CC1,377.5 | |
| CCC[C@H](C)c1ccccc1,472.0 | |
| c1csc(N2CCNCC2)n1,369.0 | |
| C[C@@H]1CC[C@@H](C)C1,364.7 | |
| COCC(=O)O,476.0 | |
| C=CCC#N,392.0 | |
| FC(F)(F)Oc1ccccc1N=C=S,488.0 | |
| O=C(O)c1ccccc1CCc1ccccc1,532.0 | |
| Cc1cc(Cl)nc(Cl)n1,492.0 | |
| O=C=NS(=O)(=O)c1ccc(F)cc1,336.0 | |
| CCOC(C)CO,413.5 | |
| c1ccc(N=Nc2ccccc2)cc1,566.0 | |
| c1ccc(-c2cccnc2-c2ccccc2)cc1,670.0 | |
| O=S1(=O)CCCCO1,426.0 | |
| CC(C)(C)C(N)=O,485.0 | |
| FC(F)(F)C(F)(F)C(Cl)Cl,324.1 | |
| C=CC#N,350.3 | |
| CCN(CCO)c1ccccc1,549.0 | |
| ClC(Br)C(Cl)Br,468.0 | |
| O=C(Cl)Cc1ccc2c(c1)OCO2,384.0 | |
| Cc1cc(Cl)nn1C,484.0 | |
| CC(=O)CSc1ccc(C)cc1,370.0 | |
| CCOCCN,381.0 | |
| Cn1cc[nH]c1=S,553.0 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,329.6 | |
| C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,374.5 | |
| COCCN1CCNCC1,466.5 | |
| O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1,569.0 | |
| CCN(CC)CCN1CCNCC1,358.0 | |
| CNCc1cccc(COc2ccccc2)c1,499.0 | |
| OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl,643.5 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,371.0 | |
| Oc1nc2ccccc2s1,633.0 | |
| CNCc1cccnc1,341.0 | |
| COC(=O)/C=C(\C)C(=O)OC,476.5 | |
| CCOc1ccccc1N,504.5 | |
| C=Cc1ccc(OC)cc1,477.5 | |
| CCOc1ccccc1CO,538.0 | |
| Cc1cccc(F)c1,388.0 | |
| CC(C)CC[C@H](CO)C(C)C,484.0 | |
| CCNc1cccc(C)c1,494.0 | |
| c1ccc(Nc2ccccn2)nc1,580.5 | |
| NCCCCCO,494.5 | |
| CC(C)CCOCc1ccccc1,510.0 | |
| CCc1ccccc1C,437.5 | |
| Cc1ccc(F)cc1Cl,428.0 | |
| CCCC1CCCCC1=O,470.0 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,355.5 | |
| C=CCC(C)C(C)C,382.0 | |
| CC(C)COc1ccccc1,470.5 | |
| O=Cc1ccc(Cl)cc1Cl,506.0 | |
| CC(O)CC#N,487.0 | |
| C=Cc1ccc(CC)cc1,465.3 | |
| C=C[C@H](O)CCl,418.5 | |
| Cc1cc(Cl)nc2ccccc12,569.0 | |