key,smiles,solvent,peakwavs_max
1481,CC(C)c1ccc2ccc3c(C(C)C)cc(C=O)c4ccc1c2c43,CO,405.0
1481,CC(C)c1ccc2ccc3c(C(C)C)cc(C=O)c4ccc1c2c43,ClCCl,410.0
1482,CC(C)c1ccc2ccc3c(C(C)C)ccc4ccc1c2c43,CCCCCC,345.0
13,BrCCCCCCCCCCCCOc1cc2ccc3cccc4ccc(c1)c2c34,Cc1ccccc1,384.0
1482,CC(C)c1ccc2ccc3c(C(C)C)ccc4ccc1c2c43,CO,343.0
1483,CC(C)c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,338.0
749,CC(C)(C)C#Cc1cc2c(C#CC(C)(C)C)c(C#CC(C)(C)C)c3cc(C#CC(C)(C)C)cc4c(C#CC(C)(C)C)c(C#CC(C)(C)C)c(c1)c2c34,ClCCl,383.0
1483,CC(C)c1ccc2ccc3cccc4ccc1c2c34,CO,337.0
1483,CC(C)c1ccc2ccc3cccc4ccc1c2c34,ClCCl,340.0
1482,CC(C)c1ccc2ccc3c(C(C)C)ccc4ccc1c2c43,ClCCl,346.0
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,OCC(F)(F)F,396.0
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,390.5
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,CC#N,389.5
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,CC(C)=O,390.0
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,CCCCCC,389.0
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,CCO,389.5
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,CN(C)C=O,390.0
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,CO,389.0
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,CS(C)=O,393.0
5926,CCN(CC)c1cc2ccc3cc(C#N)cc4ccc(c1)c2c34,CCCCCC,437.0
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,Cc1ccccc1,391.5
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,ClC(Cl)Cl,394.0
14156,O=Cc1ccc2ccc3cccc4ccc1c2c34,ClCCl,392.0
11474,Cc1ccc2ccc3cccc4ccc1c2c34,CCCCCC,338.0
5927,CCN(CC)c1cc2ccc3cccc4ccc(c1)c2c34,CCCCCC,427.0
13310,Nc1cc2ccc3cccc4ccc(c1)c2c34,CC#N,338.0
13310,Nc1cc2ccc3cccc4ccc(c1)c2c34,CCCCOCCCC,338.0
13310,Nc1cc2ccc3cccc4ccc(c1)c2c34,CO,336.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,C1CCCCC1,334.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,C1CCOC1,373.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,CC#N,335.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,CCCCCC,330.0
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,372.0
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,C1COCCO1,372.0
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,C=CC#N,370.0
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,CC#N,371.0
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,CC(C)=O,369.0
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,368.5
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,CCOC(C)=O,371.0
815,CC(C)(C)NC(=O)c1c([Si](C)(C)C)cc2ccc3cccc4ccc1c2c34,ClC(Cl)Cl,382.0
816,CC(C)(C)NC(=O)c1cc2ccc3cccc4ccc(c1C(=O)NC(C)(C)C)c2c34,ClC(Cl)Cl,385.0
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,CO,371.0
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,Cc1ccccc1,371.5
12623,N#C/C=C/c1ccc2ccc3cccc4ccc1c2c34,ClCCl,373.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,Cc1ccccc1,362.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,ClC(Cl)Cl,337.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,ClCCl,333.0
828,CC(C)(C)NC(=O)c1ccc2ccc3cccc4ccc1c2c34,ClC(Cl)Cl,377.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,CCO,334.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,CCOC(C)=O,335.0
14904,c1cc2ccc3cccc4ccc(c1)c2c34,CO,330.0
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,O=C1CCCO1,398.089172
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,C1CCOC1,398.8035892
13554,O=C(O)CCCCCNC(=O)COc1cc([S](=O)([O-])(=O))c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,O,400.0
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,C1COCCO1,398.4222479
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CC1COC(=O)O1,397.6143141
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CCOC(C)=O,398.5175148
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CN(C)C(=O)N(C)C,398.9467805
102,C#Cc1ccc2ccc3cccc4ccc1c2c34,C1CCCCC1,357.0
102,C#Cc1ccc2ccc3cccc4ccc1c2c34,CC#N,356.0
102,C#Cc1ccc2ccc3cccc4ccc1c2c34,CO,355.0
102,C#Cc1ccc2ccc3cccc4ccc1c2c34,ClCCl,358.0
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CN(C)C=O,398.2318506
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CN(C)P(=O)(N(C)C)N(C)C,401.7677782
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CS(C)=O,400.7855397
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,N#Cc1ccccc1,401.3968611
14219,O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,O,454.0
14221,O=S(=O)([O-])c1cc([O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CC#N,484.9895727
14221,O=S(=O)([O-])c1cc([O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CC(C)O,474.0010428
14221,O=S(=O)([O-])c1cc([O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CCO,466.0049397
14221,O=S(=O)([O-])c1cc([O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,CO,457.9173917
14221,O=S(=O)([O-])c1cc([O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,NC=O,472.9921483
14221,O=S(=O)([O-])c1cc([O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,O,460.9994468
14221,O=S(=O)([O-])c1cc([O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,OCC(F)(F)F,432.9941546
14221,O=S(=O)([O-])c1cc([O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34,OCCO,462.000462
5860,CCC[Si](CCC)(CCC)c1cc2ccc3cccc4ccc(c1C(=O)NC(C)(C)C)c2c34,ClC(Cl)Cl,382.0
13071,N#Cc1cc2ccc3cccc4ccc(c1)c2c34,CCCCCC,388.0
13762,O=C(O)c1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,379.0
13762,O=C(O)c1ccc2ccc3cccc4ccc1c2c34,CC#N,379.0
13762,O=C(O)c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,381.0
13762,O=C(O)c1ccc2ccc3cccc4ccc1c2c34,CCO,340.0
13762,O=C(O)c1ccc2ccc3cccc4ccc1c2c34,CN(C)C=O,377.0
13762,O=C(O)c1ccc2ccc3cccc4ccc1c2c34,CO,339.0
13762,O=C(O)c1ccc2ccc3cccc4ccc1c2c34,ClCCl,382.0
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,C1CCOC1,395.7104982
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,C1COCCO1,396.5421524
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CC#N,395.303791
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CC(C)=O,394.1663382
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CC(C)O,397.8357734
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CC1COC(=O)O1,397.1090461
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CCO,398.7876854
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CCOC(C)=O,395.4913981
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CN(C)C(=O)N(C)C,395.5226832
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CN(C)C=O,395.6635277
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CN(C)P(=O)(N(C)C)N(C)C,395.2725404
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CO,399.2175336
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,CS(C)=O,397.5352813
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,ClC(Cl)Cl,399.1060026
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,ClCCl,398.7876854
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,N#Cc1ccccc1,398.3111607
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,NC=O,403.4210102
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,O,403.2745897
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,O=C1CCCO1,396.4792641
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,OC(C(F)(F)F)C(F)(F)F,406.0254172
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,OCC(F)(F)F,403.567537
8803,COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43,OCCO,402.2202558
10162,C[Si](C)(C)C#Cc1cc2ccc3cc(C#C[Si](C)(C)C)cc4ccc(c1)c2c34,Cc1ccccc1,407.0
10187,C[Si](C)(C)c1ccc2ccc3c([Si](C)(C)C)cc(C=O)c4ccc1c2c43,CO,398.0
10187,C[Si](C)(C)c1ccc2ccc3c([Si](C)(C)C)cc(C=O)c4ccc1c2c43,ClCCl,403.0
10188,C[Si](C)(C)c1ccc2ccc3c([Si](C)(C)C)ccc4ccc1c2c43,CCCCCC,350.0
10188,C[Si](C)(C)c1ccc2ccc3c([Si](C)(C)C)ccc4ccc1c2c43,CO,349.0
594,CC(=O)Nc1cc2ccc3cccc4ccc(c1)c2c34,CC#N,334.0
594,CC(=O)Nc1cc2ccc3cccc4ccc(c1)c2c34,CCCCOCCCC,336.0
594,CC(=O)Nc1cc2ccc3cccc4ccc(c1)c2c34,CO,334.0
10188,C[Si](C)(C)c1ccc2ccc3c([Si](C)(C)C)ccc4ccc1c2c43,ClCCl,352.0
10189,C[Si](C)(C)c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,340.0
10189,C[Si](C)(C)c1ccc2ccc3cccc4ccc1c2c34,CO,340.0
10189,C[Si](C)(C)c1ccc2ccc3cccc4ccc1c2c34,ClCCl,343.0
13410,Nc1ccc2ccc3cccc4ccc1c2c34,CC#N,361.0
13410,Nc1ccc2ccc3cccc4ccc1c2c34,CCCCOCCCC,361.0
13410,Nc1ccc2ccc3cccc4ccc1c2c34,CO,357.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,C1CCOC1,415.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,CC#N,414.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,CC(C)=O,414.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,CCCCCC,411.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,CCO,413.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,CO,413.0
1291,CC(C)(C)c1ccc2ccc3c(C(C)(C)C)ccc4ccc1c2c43,CCCCCC,346.0
1291,CC(C)(C)c1ccc2ccc3c(C(C)(C)C)ccc4ccc1c2c43,CO,345.0
1291,CC(C)(C)c1ccc2ccc3c(C(C)(C)C)ccc4ccc1c2c43,ClCCl,348.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,CS(C)=O,418.0
1293,CC(C)(C)c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,338.0
1293,CC(C)(C)c1ccc2ccc3cccc4ccc1c2c34,CO,338.0
1293,CC(C)(C)c1ccc2ccc3cccc4ccc1c2c34,ClCCl,341.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,Cc1ccccc1,417.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,ClC(Cl)Cl,421.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,ClCCl,419.0
5590,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,OCC(F)(F)F,425.0
615,CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34,CC#N,339.0
615,CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34,CCCCOCCCC,341.0
615,CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34,CO,338.0
5592,CCCCc1cc(CCCC)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c43,CCCCCC,359.0
5592,CCCCc1cc(CCCC)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c43,CO,358.0
5592,CCCCc1cc(CCCC)c2ccc3c(CCCC)cc(CCCC)c4ccc1c2c43,ClCCl,361.0
14576,OCCCCc1ccc2ccc3cccc4ccc1c2c34,CO,341.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,C1CCOC1,396.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,CC#N,395.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,CC(C)=O,396.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,CCCCCC,393.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,CCO,396.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,CO,395.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,CS(C)=O,400.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,Cc1ccccc1,399.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,ClC(Cl)Cl,401.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,ClCCl,399.0
5619,CCCCc1ccc2ccc3c(C=O)ccc4ccc1c2c43,OCC(F)(F)F,404.0
5620,CCCCc1ccc2ccc3c(CCCC)cc(C(=O)CCC)c4ccc1c2c34,CO,390.0
5620,CCCCc1ccc2ccc3c(CCCC)cc(C(=O)CCC)c4ccc1c2c34,ClCCl,391.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,C1CCOC1,407.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CC#N,407.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CC(C)=O,407.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CCCCCC,404.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CCO,406.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CO,407.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CS(C)=O,411.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,Cc1ccccc1,410.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,ClC(Cl)Cl,413.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,ClCCl,411.0
5621,CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,OCC(F)(F)F,415.0
5622,CCCCc1ccc2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,CCCCCC,352.0
5622,CCCCc1ccc2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,CO,351.0
5622,CCCCc1ccc2ccc3c(CCCC)cc(CCCC)c4ccc1c2c34,ClCCl,354.0
5623,CCCCc1ccc2ccc3c(CCCC)ccc4ccc1c2c43,CCCCCC,344.0
5623,CCCCc1ccc2ccc3c(CCCC)ccc4ccc1c2c43,CO,344.0
5623,CCCCc1ccc2ccc3c(CCCC)ccc4ccc1c2c43,ClCCl,347.0
5624,CCCCc1ccc2ccc3cccc4ccc1c2c34,CCCCCC,338.0
5624,CCCCc1ccc2ccc3cccc4ccc1c2c34,CO,338.0
5624,CCCCc1ccc2ccc3cccc4ccc1c2c34,ClCCl,341.0
13484,O=C(CI)NCc1ccc2ccc3cccc4ccc1c2c34,CO,341.0
13485,O=C(CI)Nc1ccc2ccc3cccc4ccc1c2c34,CO,339.0
13486,O=C(CI)OCc1cc2cccc3ccc4cccc1c4c32,CO,341.0
14616,Oc1cc2ccc3cc(O)cc4ccc(c1)c2c34,CO,381.0
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,C1COCCO1,371.5
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,C=CC#N,369.5
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,CC#N,370.5
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,CC(C)=O,369.0
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,368.5
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,CCOC(C)=O,370.0
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,CO,370.6
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,Cc1ccccc1,374.5
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,ClCCl,372.5
8123,COC(=O)/C=C/c1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,372.0
14662,Oc1ccc2ccc3cccc4ccc1c2c34,Brc1ccccc1,384.4675125
14662,Oc1ccc2ccc3cccc4ccc1c2c34,C1CCCCC1,382.1607368
14662,Oc1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,385.252533
14662,Oc1ccc2ccc3cccc4ccc1c2c34,C1COCCO1,384.6005923
14662,Oc1ccc2ccc3cccc4ccc1c2c34,CC1COC(=O)O1,384.3788438
14662,Oc1ccc2ccc3cccc4ccc1c2c34,CCOC(C)=O,384.0245776
14662,Oc1ccc2ccc3cccc4ccc1c2c34,CN(C)C(=O)N(C)C,386.6527472
14662,Oc1ccc2ccc3cccc4ccc1c2c34,CN(C)C=O,386.3838337
14662,Oc1ccc2ccc3cccc4ccc1c2c34,CN(C)P(=O)(N(C)C)N(C)C,388.3344336
14662,Oc1ccc2ccc3cccc4ccc1c2c34,CS(C)=O,387.7020897
14662,Oc1ccc2ccc3cccc4ccc1c2c34,Cc1ccccc1,383.7298542
14662,Oc1ccc2ccc3cccc4ccc1c2c34,O=C1CCCO1,385.1635019
1436,CC(C)[Si](C#Cc1cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(c1)c2c34)(C(C)C)C(C)C,ClCCl,389.0
8393,COC(=O)c1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,379.0
8393,COC(=O)c1ccc2ccc3cccc4ccc1c2c34,CC#N,379.0
8393,COC(=O)c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,379.0
8393,COC(=O)c1ccc2ccc3cccc4ccc1c2c34,CCO,380.0
8393,COC(=O)c1ccc2ccc3cccc4ccc1c2c34,CN(C)C=O,380.0
8393,COC(=O)c1ccc2ccc3cccc4ccc1c2c34,CO,379.0
8393,COC(=O)c1ccc2ccc3cccc4ccc1c2c34,Cc1ccccc1,381.0
8393,COC(=O)c1ccc2ccc3cccc4ccc1c2c34,ClCCl,379.0
707,CC(=O)c1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,384.0
707,CC(=O)c1ccc2ccc3cccc4ccc1c2c34,CC#N,382.0
707,CC(=O)c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,384.0
707,CC(=O)c1ccc2ccc3cccc4ccc1c2c34,CCO,383.0
707,CC(=O)c1ccc2ccc3cccc4ccc1c2c34,CN(C)C=O,384.0
707,CC(=O)c1ccc2ccc3cccc4ccc1c2c34,CO,385.0
707,CC(=O)c1ccc2ccc3cccc4ccc1c2c34,Cc1ccccc1,387.0
707,CC(=O)c1ccc2ccc3cccc4ccc1c2c34,ClCCl,385.0
13578,O=C(O)CCCOc1cc2ccc3cccc4ccc(c1)c2c34,CO,382.0
13270,NCc1ccc2ccc3cccc4ccc1c2c34,CC#N,341.0
13270,NCc1ccc2ccc3cccc4ccc1c2c34,CO,340.0
13270,NCc1ccc2ccc3cccc4ccc1c2c34,ClC(Cl)Cl,344.0
13276,NNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34,CO,341.0
13583,O=C(O)CCCc1cc2ccc3cccc4ccc(c1)c2c34,CO,374.0
13584,O=C(O)CCCc1ccc2ccc3cccc4ccc1c2c34,CO,375.0
11471,Cc1ccc2ccc3c(C)cc(C=O)c4ccc1c2c34,CO,405.0
11471,Cc1ccc2ccc3c(C)cc(C=O)c4ccc1c2c34,ClCCl,410.0
11472,Cc1ccc2ccc3c(C)ccc4ccc1c2c43,CCCCCC,344.0
11472,Cc1ccc2ccc3c(C)ccc4ccc1c2c43,CO,344.0
11472,Cc1ccc2ccc3c(C)ccc4ccc1c2c43,ClCCl,346.0
7012,CC[Si](C)(C)c1cc2ccc3cccc4ccc(c1C(=O)NC(C)(C)C)c2c34,ClC(Cl)Cl,381.0
7014,CC[Si](CC)(CC)c1cc2ccc3cccc4ccc(c1C(=O)NC(C)(C)C)c2c34,ClC(Cl)Cl,381.0
11474,Cc1ccc2ccc3cccc4ccc1c2c34,CO,338.0
11474,Cc1ccc2ccc3cccc4ccc1c2c34,ClCCl,341.0
5422,CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CCO,370.0
5422,CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CS(C)=O,373.0
5422,CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,Cc1ccccc1,374.0
5422,CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,ClC(Cl)Cl,381.0
5422,CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,O,373.0
61,C#CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,C1COCCO1,405.0
61,C#CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CC#N,409.0
61,C#CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CCO,413.0
61,C#CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CS(C)=O,419.0
61,C#CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,Cc1ccccc1,407.0
61,C#CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,ClC(Cl)Cl,414.0
61,C#CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,O,421.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,C1COCCO1,357.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,CC#N,358.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,CC(C)=O,359.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,CCCCO,366.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,CCO,364.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,CCOC(C)=O,357.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,CN(C)C=O,364.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,CO,363.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,CS(C)=O,366.0
65,C#CCN(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)=O)ccc1-2,ClCCl,362.0
1177,CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1-2,C1CCCCC1,308.0
6122,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,C1CCOC1,393.0
6122,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,C1COCCO1,390.0
6122,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CC#N,394.0
6122,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CCO,395.0
6122,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CN(C)C=O,399.0
6122,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CO,396.0
6122,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,Cc1ccccc1,395.0
6122,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,ClCCl,399.0
14793,[NH3+]c1ccc2c(c1)Cc1ccccc1-2,O,299.0
7690,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,C1COCCO1,467.0
7690,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,CC#N,474.0
7690,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,CCO,476.0
7690,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,CS(C)=O,488.0
7690,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,Cc1ccccc1,474.0
7690,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,ClC(Cl)Cl,486.0
7690,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,O,501.0
7691,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,C1CCOC1,390.0
7691,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CC#N,387.6666666666667
7691,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CCCCCC,390.0
7691,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CN(C)C=O,390.0
7691,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CO,390.0
7691,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,Cc1ccccc1,390.3333333333333
7691,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,ClCCl,390.0
7691,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,O,386.0
7696,CN(C)c1ccc2c(c1)Cc1ccccc1-2,C1CCOC1,310.0
7696,CN(C)c1ccc2c(c1)Cc1ccccc1-2,C1COCCO1,310.0
7696,CN(C)c1ccc2c(c1)Cc1ccccc1-2,CC(=O)N(C)C,312.0
7696,CN(C)c1ccc2c(c1)Cc1ccccc1-2,CCCCCC,303.0
7696,CN(C)c1ccc2c(c1)Cc1ccccc1-2,CCOC(C)=O,307.0
7696,CN(C)c1ccc2c(c1)Cc1ccccc1-2,CCOCC,305.0
7696,CN(C)c1ccc2c(c1)Cc1ccccc1-2,CS(C)=O,316.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,C1CCCCC1,318.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,C1COCCO1,322.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,CC#N,325.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,CC(C)O,317.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,CCCCCC,318.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,CCCCCCC,317.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,CCO,317.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,CCOC(C)=O,325.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,CCOCC,318.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,CO,317.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,ClCCl,319.0
13395,Nc1ccc2c(c1)Cc1ccccc1-2,O,315.0
555,C=Cc1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,C1COCCO1,350.0
555,C=Cc1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CC#N,350.0
555,C=Cc1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CCO,349.0
555,C=Cc1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CS(C)=O,354.0
555,C=Cc1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,Cc1ccccc1,346.0
555,C=Cc1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,ClC(Cl)Cl,350.0
555,C=Cc1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,O,353.0
2512,CCCC1(CCC)c2cc(C#N)ccc2-c2ccc(C#N)cc21,C1CCCCC1,319.0
2532,CCCC1(CCC)c2ccccc2-c2ccccc21,C1CCCCC1,304.0
2351,CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,C1CCCCC1,480.0
2351,CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CC#N,474.0
2351,CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CCO,478.0
2351,CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CCOCC,470.0
2351,CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CS(C)=O,490.0
2351,CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,ClCCl,490.0
2351,CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,c1ccccc1,480.0
2355,CCC1(CC)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,C1CCCCC1,385.0
2355,CCC1(CC)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CC#N,385.0
2355,CCC1(CC)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CCO,388.0
2355,CCC1(CC)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CCOCC,379.0
2355,CCC1(CC)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CS(C)=O,395.0
2355,CCC1(CC)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,ClCCl,392.0
2355,CCC1(CC)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,c1ccccc1,388.0
2357,CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,C1CCCCC1,341.0
2357,CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CC#N,302.0
2357,CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CCO,342.0
2357,CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CCOCC,342.0
2357,CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CS(C)=O,350.0
2357,CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,ClCCl,344.0
2357,CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,c1ccccc1,346.0
2953,CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2,C1CCOC1,378.0
2953,CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2,C1COCCO1,378.0
2953,CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2,CC#N,380.0
2953,CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2,CCO,383.0
2953,CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2,CN(C)C=O,385.0
2953,CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2,CO,384.0
2953,CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2,Cc1ccccc1,383.0
2953,CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2,ClCCl,384.0
5422,CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,C1COCCO1,364.0
5422,CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CC#N,368.0
8462,COC(C)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,CCCCCC,354.0
8498,COCCN1C(=O)/C(=C/c2cccc(N(C)C)c2)N=C1C,C1CCOC1,353.0
8498,COCCN1C(=O)/C(=C/c2cccc(N(C)C)c2)N=C1C,CC#N,353.0
8498,COCCN1C(=O)/C(=C/c2cccc(N(C)C)c2)N=C1C,CCCCCC,352.0
2113,CC1=N/C(=C\c2cc(C#N)cc(N(C)C)c2)C(=O)N1C,C1CCOC1,359.0
2113,CC1=N/C(=C\c2cc(C#N)cc(N(C)C)c2)C(=O)N1C,CC#N,354.0
2113,CC1=N/C(=C\c2cc(C#N)cc(N(C)C)c2)C(=O)N1C,CCCCCC,355.0
2114,CC1=N/C(=C\c2cc(N(C)C)ccc2C#N)C(=O)N1C,C1CCOC1,363.0
2114,CC1=N/C(=C\c2cc(N(C)C)ccc2C#N)C(=O)N1C,CC#N,361.0
2114,CC1=N/C(=C\c2cc(N(C)C)ccc2C#N)C(=O)N1C,CCCCCC,359.0
2115,CC1=N/C(=C\c2ccc(C#N)c(N(C)C)c2)C(=O)N1C,C1CCOC1,368.0
2115,CC1=N/C(=C\c2ccc(C#N)c(N(C)C)c2)C(=O)N1C,CC#N,369.0
2115,CC1=N/C(=C\c2ccc(C#N)c(N(C)C)c2)C(=O)N1C,CCCCCC,362.0
2116,CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1C,C1CCCCC1,405.0
2116,CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1C,C1CCOC1,419.0
2116,CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1C,CC#N,422.0
2116,CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1C,CO,435.0
2116,CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1C,CS(C)=O,434.0
2116,CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1C,ClCCl,428.0
2116,CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1C,O,446.0
2117,CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,C1CCOC1,354.0
2117,CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,CC#N,353.0
2117,CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,CCCCCC,352.0
2118,CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1CCO,C1CCOC1,354.0
2118,CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1CCO,CC#N,352.0
2118,CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1CCO,CCCCCC,352.0
2119,CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,C1CCCCC1,395.0
2119,CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,C1CCOC1,395.0
2119,CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,CC#N,396.0
2119,CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,CO,398.0
2119,CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,CS(C)=O,398.0
2119,CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,ClCCl,396.0
2119,CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,O,346.0
2120,CC1=N/C(=C\c2ccccc2N)C(=O)N1C,C1CCCCC1,427.0
2120,CC1=N/C(=C\c2ccccc2N)C(=O)N1C,C1CCOC1,430.0
2120,CC1=N/C(=C\c2ccccc2N)C(=O)N1C,CC#N,422.0
2120,CC1=N/C(=C\c2ccccc2N)C(=O)N1C,CO,424.0
2120,CC1=N/C(=C\c2ccccc2N)C(=O)N1C,CS(C)=O,436.0
2120,CC1=N/C(=C\c2ccccc2N)C(=O)N1C,ClCCl,422.0
2120,CC1=N/C(=C\c2ccccc2N)C(=O)N1C,O,390.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,C1COCCO1,396.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CC#N,395.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CC(C)=O,394.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CCCCCC,392.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CCCCO,400.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CCCO,400.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CCO,399.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CCOC(C)=O,393.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CN(C)C=O,399.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CO,398.0
68,C#CCN1C(=O)/C(=C/c2cc(OC(C)C)ccc2OC(C)C)N=C1C,CS(C)=O,401.0
1534,CC(O)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,C1CCOC1,356.0
1534,CC(O)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,CC#N,355.0
1534,CC(O)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,CCCCCC,352.0
8462,COC(C)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,C1CCOC1,355.0
373,C/C=C/C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C,ClC(Cl)Cl,400.0
373,C/C=C/C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C,O,401.0
374,C/C=C/C1=N/C(=C\c2ccc([O-])cc2)C(=O)N1C,O,460.0
375,C/C=C/C=C/C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C,ClC(Cl)Cl,425.0
375,C/C=C/C=C/C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C,O,421.0
376,C/C=C/C=C/C1=N/C(=C\c2ccc([O-])cc2)C(=O)N1C,O,482.0
8462,COC(C)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,CC#N,355.0
2098,CC1=CC(C)=[N+]2C1=Cc1cccn1[B-]2(F)F,ClCCl,498.0
10438,Cc1cc(/C=C/OC(C)(C)C)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
70,C#CCNC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,C1CCCCC1,468.5
70,C#CCNC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CC(C)=O,453.0
70,C#CCNC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CCOC(C)=O,457.0
70,C#CCNC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CO,453.0
70,C#CCNC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,OCC(F)(F)F,450.5
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,C1CCCCC1,424.25
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CC(C)=O,406.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCCCO,406.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCCO,408.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCO,406.25
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCOC(C)=O,408.5
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CN(C)C=O,404.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CO,403.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CS(C)=O,404.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,Cc1ccccc1,421.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,ClC(Cl)Cl,418.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,OCC(F)(F)F,404.0
72,C#CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,c1ccccc1,422.0
834,CC(C)(C)NC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,C1CCCCC1,428.0
834,CC(C)(C)NC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CC(C)=O,409.5
834,CC(C)(C)NC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCO,412.5
834,CC(C)(C)NC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCOC(C)=O,412.0
834,CC(C)(C)NC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CO,410.0
834,CC(C)(C)NC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,OCC(F)(F)F,406.0
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,OCCOc1ccccc1,522.3
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCCCCO,521.0
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCCO,520.4
512,C=CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCOC(C)=O,405.0
512,C=CCNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CO,396.0
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCO,519.4
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCO,518.9
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCCCC,521.2
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCCCCCCO,521.8
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,C1CCCCC1,522.5
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,C1CCOC1,518.4
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,C1COCCO1,518.6
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,514.8
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC(C)=O,516.0
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC(C)O,518.8
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCC(C)C,520.4
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCC,521.1
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCO,517.7
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,516.4
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCOCC,518.8
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,522.5
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,520.0
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,515.7
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,OCCO,518.0
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,517.1
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,c1ccccc1,522.7
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN1CCCC1=O,518.2
2425,CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CO,516.2
2426,CCC1=C(C)C2=C(C)c3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,521.0
2426,CCC1=C(C)C2=C(C)c3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,C1CCCCC1,531.5
2426,CCC1=C(C)C2=C(C)c3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,CC(C)=O,517.5
2426,CCC1=C(C)C2=C(C)c3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCO,522.0
2426,CCC1=C(C)C2=C(C)c3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,CO,519.5
2426,CCC1=C(C)C2=C(C)c3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,511.5
2427,CCC1=C(C)C2=C(C)c3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,CCO,505.5
2427,CCC1=C(C)C2=C(C)c3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,CO,503.5
2427,CCC1=C(C)C2=C(C)c3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,497.0
2427,CCC1=C(C)C2=C(C)c3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,C1CCCCC1,515.5
2427,CCC1=C(C)C2=C(C)c3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,CC(C)=O,502.5
2427,CCC1=C(C)C2=C(C)c3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,506.0
2428,CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,518.5
2428,CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,C1CCCCC1,532.0
527,C=CC[C@H](/C=C(/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2)CC)CC,CS(C)=O,550.0
2428,CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CC(C)=O,515.5
2428,CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCO,520.0
2428,CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CO,518.0
2428,CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,511.5
2429,CCC1=C(C)C2=C(C)c3cc(I)cn3[B-](F)(F)[N+]2=C1C,CC(C)=O,502.5
2429,CCC1=C(C)C2=C(C)c3cc(I)cn3[B-](F)(F)[N+]2=C1C,CCO,506.0
2429,CCC1=C(C)C2=C(C)c3cc(I)cn3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,504.5
2429,CCC1=C(C)C2=C(C)c3cc(I)cn3[B-](F)(F)[N+]2=C1C,CO,503.5
2429,CCC1=C(C)C2=C(C)c3cc(I)cn3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,499.5
2429,CCC1=C(C)C2=C(C)c3cc(I)cn3[B-](F)(F)[N+]2=C1C,C1CCCCC1,517.5
2430,CCC1=C(C)C2=C(C)c3cccn3[B-](F)(F)[N+]2=C1C,C1CCCCC1,504.0
2430,CCC1=C(C)C2=C(C)c3cccn3[B-](F)(F)[N+]2=C1C,CC(C)=O,495.0
2430,CCC1=C(C)C2=C(C)c3cccn3[B-](F)(F)[N+]2=C1C,CCO,497.0
2430,CCC1=C(C)C2=C(C)c3cccn3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,496.0
2430,CCC1=C(C)C2=C(C)c3cccn3[B-](F)(F)[N+]2=C1C,CO,495.5
2430,CCC1=C(C)C2=C(C)c3cccn3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,492.0
2163,CC1=[N+]2C(=Cc3cccn3[B-]2(F)F)C=C1,CCCCCC,510.0
2163,CC1=[N+]2C(=Cc3cccn3[B-]2(F)F)C=C1,CO,506.0
2163,CC1=[N+]2C(=Cc3cccn3[B-]2(F)F)C=C1,ClCCl,511.0
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,C1CCCCC1,529.0
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,C1CCOC1,525.1
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,C1COCCO1,525.1
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CC#N,520.8
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CC(C)=O,522.5
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CC(C)CC(C)(C)C,527.5
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCC(C)C,527.1
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCC(C)=O,523.7
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCCC,527.5
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCCCCCO,527.3
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCCCO,526.7
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCO,526.1
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCOC(C)=O,524.3
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCO,525.3
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCO,524.3
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCOC(C)=O,523.2
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCOCC,525.1
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CN(C)C=O,524.0
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CNC=O,522.3
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CO,522.9
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,COC(C)=O,522.5
1932,CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,OCC(F)(F)F,521.6
2445,CCC1=C(C)C2=Cc3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,C1CCCCC1,543.5
2445,CCC1=C(C)C2=Cc3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,CC(C)=O,528.0
2445,CCC1=C(C)C2=Cc3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCO,536.0
2445,CCC1=C(C)C2=Cc3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,532.0
2445,CCC1=C(C)C2=Cc3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,CO,531.5
2445,CCC1=C(C)C2=Cc3c(I)c(I)c(I)n3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,523.0
2446,CCC1=C(C)C2=Cc3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,C1CCCCC1,527.5
2446,CCC1=C(C)C2=Cc3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,CC(C)=O,509.0
2446,CCC1=C(C)C2=Cc3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,CCO,517.5
2446,CCC1=C(C)C2=Cc3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,515.0
2446,CCC1=C(C)C2=Cc3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,CO,513.0
2446,CCC1=C(C)C2=Cc3c(I)c(I)cn3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,501.0
1966,CC1=C2C=CC(C)=[N+]2[B-](F)(F)n2cccc21,CCCCCC,499.0
1966,CC1=C2C=CC(C)=[N+]2[B-](F)(F)n2cccc21,CO,494.0
1966,CC1=C2C=CC(C)=[N+]2[B-](F)(F)n2cccc21,ClCCl,498.0
1968,CC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCCCCC,500.0
1968,CC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CO,494.0
1968,CC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,ClCCl,499.0
8074,CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,C1CCCCC1,418.5
8074,CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CC(C)=O,395.5
8074,CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCO,397.0
8074,CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCOC(C)=O,398.5
8074,CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,OCC(F)(F)F,393.0
2456,CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,528.0
2456,CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CO,526.5
2456,CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,520.0
2456,CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,C1CCCCC1,542.0
2456,CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CC(C)=O,524.5
2456,CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCO,529.0
2457,CCC1=C(C)C2=Cc3cc(I)cn3[B-](F)(F)[N+]2=C1C,C1CCCCC1,528.0
2457,CCC1=C(C)C2=Cc3cc(I)cn3[B-](F)(F)[N+]2=C1C,CC(C)=O,509.5
2457,CCC1=C(C)C2=Cc3cc(I)cn3[B-](F)(F)[N+]2=C1C,CCO,514.0
2457,CCC1=C(C)C2=Cc3cc(I)cn3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,513.0
2457,CCC1=C(C)C2=Cc3cc(I)cn3[B-](F)(F)[N+]2=C1C,CO,511.5
2457,CCC1=C(C)C2=Cc3cc(I)cn3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,504.0
2460,CCC1=C(C)C2=Cc3cccn3[B-](F)(F)[N+]2=C1C,C1CCCCC1,512.5
2460,CCC1=C(C)C2=Cc3cccn3[B-](F)(F)[N+]2=C1C,CC(C)=O,503.5
2460,CCC1=C(C)C2=Cc3cccn3[B-](F)(F)[N+]2=C1C,CCO,505.5
2460,CCC1=C(C)C2=Cc3cccn3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,505.0
2460,CCC1=C(C)C2=Cc3cccn3[B-](F)(F)[N+]2=C1C,CO,504.5
2460,CCC1=C(C)C2=Cc3cccn3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,494.5
12071,F[B-]1(F)n2c(Cl)c(Cl)c(Br)c2C(Cl)=C2C(Br)=C(Cl)C(Cl)=[N+]21,ClCCl,546.0
2043,CC1=CC(C)=[N+]2C1=C(C)c1cccn1[B-]2(F)F,ClCCl,488.0
2043,CC1=CC(C)=[N+]2C1=C(C)c1cccn1[B-]2(F)F,CCCCCC,492.0
2043,CC1=CC(C)=[N+]2C1=C(C)c1cccn1[B-]2(F)F,CO,486.0
2083,CC1=CC(C)=[N+]2C1=Cc1c(C)cc(C)n1[B-]2(F)F,CCCCCC,508.0
2083,CC1=CC(C)=[N+]2C1=Cc1c(C)cc(C)n1[B-]2(F)F,CO,503.0
2083,CC1=CC(C)=[N+]2C1=Cc1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,509.0
2083,CC1=CC(C)=[N+]2C1=Cc1c(C)cc(C)n1[B-]2(F)F,ClCCl,506.0
13260,NC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCOC(C)=O,406.0
7259,CN(C)C1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCOC(C)=O,399.0
7259,CN(C)C1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CO,396.0
12142,F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,C1CCCCC1,503.5
12142,F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CC(C)=O,497.5
12142,F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CCCCCC,502.0
12142,F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CCO,498.0
12142,F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CCOC(C)=O,498.0
12142,F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CO,497.0
12142,F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,ClCCl,503.0
12142,F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,OCC(F)(F)F,497.0
2096,CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)O)n1[B-]2(F)F,CO,502.0
2098,CC1=CC(C)=[N+]2C1=Cc1cccn1[B-]2(F)F,CCCCCC,493.0
2098,CC1=CC(C)=[N+]2C1=Cc1cccn1[B-]2(F)F,CO,493.0
8706,COc1cc(Br)cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1OC,CS(C)=O,557.0
10443,Cc1cc(/C=C/c2c(C)c(C)c(C)c(C)c2C)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,540.0
10445,Cc1cc(/C=C/c2c(F)ccc(F)c2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
10446,Cc1cc(/C=C/c2c(F)cccc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,552.0
10451,Cc1cc(/C=C/c2cc(Br)cc(Br)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
10453,Cc1cc(/C=C/c2cc(Br)ccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,562.0
10455,Cc1cc(/C=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,572.0
10456,Cc1cc(/C=C/c2cc(C(C)(C)C)cc(C=O)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
10457,Cc1cc(/C=C/c2cc(C(C)(C)C)ccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
10458,Cc1cc(/C=C/c2cc(C(F)(F)F)cc(Cl)c2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
10459,Cc1cc(/C=C/c2cc(C(F)(F)F)ccc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,571.0
8741,COc1cc(Cl)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(Cl)c1O,CS(C)=O,556.0
8742,COc1cc(Cl)cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1O,CS(C)=O,564.0
8743,COc1cc(Cl)cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1OC,CS(C)=O,556.0
8744,COc1cc(F)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1OC,CS(C)=O,557.0
10461,Cc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1O,CS(C)=O,566.0
10463,Cc1cc(/C=C/c2cc(Cl)cc(Br)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
10464,Cc1cc(/C=C/c2cc(Cl)cc(Cl)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10465,Cc1cc(/C=C/c2cc(Cl)cc(Cl)c2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,572.0
10466,Cc1cc(/C=C/c2cc(Cl)cc(Cl)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
10467,Cc1cc(/C=C/c2cc(Cl)ccc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
10468,Cc1cc(/C=C/c2cc(Cl)ccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,562.0
10469,Cc1cc(/C=C/c2cc(F)c(F)cc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
10470,Cc1cc(/C=C/c2cc(F)cc(C(F)(F)F)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,553.0
10471,Cc1cc(/C=C/c2cc(F)ccc2Br)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,553.0
10472,Cc1cc(/C=C/c2cc(F)ccc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10473,Cc1cc(/C=C/c2cc(F)ccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,562.0
10474,Cc1cc(/C=C/c2cc(I)cc(I)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
10045,CSc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,565.0
10475,Cc1cc(/C=C/c2cc(I)ccc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
10476,Cc1cc(/C=C/c2cc(O)cc(O)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
10477,Cc1cc(/C=C/c2cc(O)ccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,569.0
10478,Cc1cc(/C=C/c2cc(OC(F)(F)F)ccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
10480,Cc1cc(/C=C/c2cc([N+](=O)[O-])ccc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
10481,Cc1cc(/C=C/c2cc([N+](=O)[O-])ccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
11523,Cc1cccc(C)c1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,544.0
10063,CSc1ccccc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,559.0
10500,Cc1cc(/C=C/c2ccc(B(O)O)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,558.0
8759,COc1cc(O)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(OC)c1,CS(C)=O,579.0
10501,Cc1cc(/C=C/c2ccc(Br)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
8761,COc1cc(OC)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(OC)c1,CS(C)=O,578.0
8762,COc1cc(OC)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1Br,CS(C)=O,571.0
10502,Cc1cc(/C=C/c2ccc(Br)cc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,569.0
10505,Cc1cc(/C=C/c2ccc(C#N)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
10506,Cc1cc(/C=C/c2ccc(C(=O)O)cc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,567.0
10507,Cc1cc(/C=C/c2ccc(C(C)(C)C)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,558.0
10508,Cc1cc(/C=C/c2ccc(C(C)C)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
10509,Cc1cc(/C=C/c2ccc(C(F)(F)F)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
10510,Cc1cc(/C=C/c2ccc(C(F)(F)F)cc2C(F)(F)F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,578.0
10511,Cc1cc(/C=C/c2ccc(C(F)(F)F)cc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
10513,Cc1cc(/C=C/c2ccc(C=O)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
10516,Cc1cc(/C=C/c2ccc(Cl)c(Cl)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
10517,Cc1cc(/C=C/c2ccc(Cl)c(F)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10518,Cc1cc(/C=C/c2ccc(Cl)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
10519,Cc1cc(/C=C/c2ccc(Cl)cc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,558.0
10520,Cc1cc(/C=C/c2ccc(F)c(Br)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
10521,Cc1cc(/C=C/c2ccc(F)c(Cl)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,553.0
10523,Cc1cc(/C=C/c2ccc(F)cc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
10524,Cc1cc(/C=C/c2ccc(I)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
10529,Cc1cc(/C=C/c2ccc(O)c(Br)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
10530,Cc1cc(/C=C/c2ccc(O)c(O)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,584.0
10531,Cc1cc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
10533,Cc1cc(/C=C/c2ccc(O)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,566.0
10534,Cc1cc(/C=C/c2ccc(O)cc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,566.0
10535,Cc1cc(/C=C/c2ccc(OC(=O)OC(C)(C)C)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,566.0
10536,Cc1cc(/C=C/c2ccc(OC(F)(F)F)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
92,C#Cc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,CCO,567.0
10537,Cc1cc(/C=C/c2ccc(OC(F)F)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10538,Cc1cc(/C=C/c2ccc(OCCCN(C)C)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
7069,CCc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1[N+](=O)[O-],CS(C)=O,556.0
5499,CCCCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,565.0
5851,CCCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,565.0
10548,Cc1cc(/C=C/c2ccc(S(C)(=O)=O)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,567.0
10549,Cc1cc(/C=C/c2ccc(SC(F)(F)F)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
10550,Cc1cc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,562.0
10558,Cc1cc(/C=C/c2cccc(B(O)O)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10559,Cc1cc(/C=C/c2cccc(Br)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
10560,Cc1cc(/C=C/c2cccc(Br)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
10561,Cc1cc(/C=C/c2cccc(C#N)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10562,Cc1cc(/C=C/c2cccc(C(=O)O)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,553.0
10563,Cc1cc(/C=C/c2cccc(C(C)(C)C)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
10564,Cc1cc(/C=C/c2cccc(C=O)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,553.0
10565,Cc1cc(/C=C/c2cccc(Cl)c2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10566,Cc1cc(/C=C/c2cccc(Cl)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10567,Cc1cc(/C=C/c2cccc(I)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10568,Cc1cc(/C=C/c2cccc(O)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
10569,Cc1cc(/C=C/c2cccc(O)c2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
9673,COc1ccc([N+](=O)[O-])cc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,559.0
10570,Cc1cc(/C=C/c2cccc(O)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
10571,Cc1cc(/C=C/c2cccc(OC(F)(F)C(F)F)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,551.0
10576,Cc1cc(/C=C/c2cccc([N+](=O)[O-])c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10580,Cc1cc(/C=C/c2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
11582,Cc1ccccc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,556.0
10582,Cc1cc(/C=C/c2ccccc2B(O)O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10583,Cc1cc(/C=C/c2ccccc2C(=O)O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
10584,Cc1cc(/C=C/c2ccccc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10585,Cc1cc(/C=C/c2ccccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,562.0
523,C=CCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,564.0
524,C=CCOc1ccccc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,560.0
10586,Cc1cc(/C=C/c2ccccc2OC(F)(F)F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10587,Cc1cc(/C=C/c2ccccc2OC(F)F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
10588,Cc1cc(/C=C/c2ccccc2OCC(=O)O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
7083,CCc1ccccc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,554.0
11197,Cc1ccc(F)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1Cl,CS(C)=O,553.0
4312,CCCCCCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,565.0
5888,CCCc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,558.0
595,CC(=O)Nc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,565.0
9523,COc1ccc(F)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,555.0
9524,COc1ccc(F)cc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,561.0
10662,Cc1cc(C)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(C)c1,CS(C)=O,559.0
10663,Cc1cc(C)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1C,CS(C)=O,558.0
5609,CCCCc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,558.0
8599,COc1c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(C(C)(C)C)cc1C(C)(C)C,CS(C)=O,557.0
6859,CCOC(OCC)c1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,563.0
8321,COC(=O)c1cc(OC)cc(OC)c1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,569.0
8604,COc1c(Br)cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(O)c1Br,CS(C)=O,563.0
8605,COc1c(Br)cc(Br)cc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,558.0
11514,Cc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,555.0
11515,Cc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1C,CS(C)=O,560.0
9896,COc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,555.0
9897,COc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1Cl,CS(C)=O,555.0
9898,COc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1F,CS(C)=O,554.0
6882,CCOc1c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cccc1OC,CS(C)=O,557.0
6886,CCOc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1O,CS(C)=O,571.0
6887,CCOc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1OC,CS(C)=O,568.0
9899,COc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1O,CS(C)=O,561.0
9900,COc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1OC,CS(C)=O,556.0
9901,COc1cccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)c1,CO,560.0
646,CC(=O)Oc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,566.0
9911,COc1cccc(F)c1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,558.0
6898,CCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(OCC)c1,CS(C)=O,572.0
6899,CCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,564.0
6900,CCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1OC,CS(C)=O,568.0
6901,CCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1OCC,CS(C)=O,568.0
9262,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(Br)c1O,CS(C)=O,556.0
9263,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(C)c1C,CS(C)=O,565.0
9264,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(Cl)c1O,CS(C)=O,566.0
8354,COC(=O)c1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,558.0
8355,COC(=O)c1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,CO,562.0
9267,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(I)c1O,CS(C)=O,566.0
9268,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(O)c1,CS(C)=O,573.0
9269,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(OC)c1,CS(C)=O,571.0
9270,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(OC)c1C,CS(C)=O,565.0
9265,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(Cl)c1OC,CS(C)=O,563.0
9272,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,564.0
9273,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1Br,CS(C)=O,562.0
9274,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1C,CS(C)=O,561.0
9266,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(F)c1,CS(C)=O,562.0
9276,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1O,CS(C)=O,568.0
9277,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1OC,CS(C)=O,567.0
6918,CCOc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,555.0
6919,CCOc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1O,CS(C)=O,562.0
6920,CCOc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1OCC,CS(C)=O,557.0
9279,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1[N+](=O)[O-],CS(C)=O,557.0
9275,COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1Cl,CS(C)=O,561.0
11366,Cc1ccc(O)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,564.0
9287,COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,CO,570.0
11056,Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(Br)c1,CS(C)=O,557.0
11057,Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(C)c1,CS(C)=O,559.0
11058,Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,557.0
11059,Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1Cl,CS(C)=O,562.0
11060,Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1F,CS(C)=O,556.0
11061,Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1[N+](=O)[O-],CS(C)=O,555.0
10774,Cc1cc(C)cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,556.0
9966,COc1ccccc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,561.0
8674,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(Br)c(Br)c1O,CS(C)=O,567.0
8675,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(Br)c1OC,CS(C)=O,560.0
8676,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(Cl)c1O,CS(C)=O,567.0
8677,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(Cl)c1OC,CS(C)=O,559.0
8678,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(I)c1O,CS(C)=O,568.0
8679,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(I)c1OC,CS(C)=O,561.0
8680,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(O)c1O,CS(C)=O,557.0
8681,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(O)c1OC,CS(C)=O,563.0
8682,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(OC)c1,CS(C)=O,556.0
8683,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(OC)c1O,CS(C)=O,575.0
8684,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(OC)c1OC,CS(C)=O,562.0
8685,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(OC)c1OC(C)=O,CS(C)=O,574.0
8686,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1F,CS(C)=O,555.5
8687,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1OC(=O)OC(C)(C)C,CS(C)=O,558.0
8688,COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1OCCBr,CS(C)=O,566.0
9319,COc1ccc(Br)cc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,561.0
8692,COc1cc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc(OC)c1OC,CO,567.0
11540,Cc1cccc(Cl)c1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,543.0
2091,CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3ccc(Br)cc3)n1[B-]2(F)F,CCO,562.0
2092,CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3ccc(CCl)cc3)n1[B-]2(F)F,CO,560.0
2093,CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3ccc(CO)cc3)n1[B-]2(F)F,CO,560.0
2095,CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3ccccc3)n1[B-]2(F)F,CO,560.0
6109,CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)oc2c1,C1CCCCC1,376.0
6109,CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC#N,396.0
6109,CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCO,400.0
6109,CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCOC(C)=O,392.0
6109,CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)oc2c1,ClCCl,401.0
6109,CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)oc2c1,OCC(O)CO,413.0
6111,CCN(CC)c1ccc2c(C)c(C#CC=C(C#N)C(=O)O)c(=O)oc2c1,ClCCl,440.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,C1CCCCC1,350.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,CC#N,367.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,CCCCCCCCO,373.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,CCCCCCO,373.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,CCCCO,374.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,CCCO,376.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,CCOC(C)=O,361.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,ClCCl,372.0
6112,CCN(CC)c1ccc2c(C)cc(=O)oc2c1,OCC(O)CO,384.0
7677,CN(C)c1ccc2c(CC(=O)O)cc(=O)oc2c1,CO,370.0
13691,O=C(O)c1cc2ccc(O)cc2oc1=O,CC#N,386.0
97,C#Cc1ccc2c(C)cc(=O)oc2c1,CCO,325.0
99,C#Cc1ccc2cc(/C=C/C(=O)OCC)c(=O)oc2c1,CCO,360.0
498,C=CC(=O)Oc1ccc2cc(C=C)c(=O)oc2c1,CC#N,320.0
8781,COc1cc(OC)c2ccc(=O)oc2c1,CC(C)O,324.0
8781,COc1cc(OC)c2ccc(=O)oc2c1,CCO,324.0
8781,COc1cc(OC)c2ccc(=O)oc2c1,CCOCC,318.0
8781,COc1cc(OC)c2ccc(=O)oc2c1,CO,324.0
8781,COc1cc(OC)c2ccc(=O)oc2c1,O,327.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,C1CCC2CCCCC2C1,349.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,C1CCCCC1,348.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,C1COCCO1,364.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC#N,366.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC(C)=O,371.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC(C)O,384.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC1CCCCC1,348.0
13066,N#Cc1cc2ccc(O)cc2oc1=O,C1CCCCC1,361.0
13066,N#Cc1cc2ccc(O)cc2oc1=O,C1CCOC1,355.0
13066,N#Cc1cc2ccc(O)cc2oc1=O,CC#N,352.0
13066,N#Cc1cc2ccc(O)cc2oc1=O,CCOC(C)=O,356.0
13066,N#Cc1cc2ccc(O)cc2oc1=O,CS(C)=O,351.0
13066,N#Cc1cc2ccc(O)cc2oc1=O,ClC(Cl)Cl,359.0
13066,N#Cc1cc2ccc(O)cc2oc1=O,O,355.0
13067,N#Cc1cc2ccc([O-])cc2oc1=O,O,408.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCC(C)CC,347.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCC(C)C,347.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCCCC,347.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCCCCCCO,383.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCCCCO,384.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCCO,383.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCO,383.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCOC(C)=O,368.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CN(C)C=O,378.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CO,378.0
13075,N#Cc1cc2ccccc2oc1=O,C1CCCCC1,342.0
13075,N#Cc1cc2ccccc2oc1=O,C1CCOC1,338.0
13075,N#Cc1cc2ccccc2oc1=O,CC#N,336.0
13075,N#Cc1cc2ccccc2oc1=O,CCOC(C)=O,339.0
13075,N#Cc1cc2ccccc2oc1=O,CS(C)=O,334.0
13075,N#Cc1cc2ccccc2oc1=O,ClC(Cl)Cl,340.0
542,C=Cc1cc2ccc(N(CC)CC)cc2oc1=O,CC#N,400.0
544,C=Cc1cc2ccc(OC)cc2oc1=O,CC#N,333.0
545,C=Cc1cc2ccccc2oc1=O,CC#N,326.0
10608,Cc1cc(=O)oc2c(F)c(O)c(F)cc12,O,320.0
9820,COc1ccc2cc(C(=O)O)c(=O)oc2c1,O,336.0
10617,Cc1cc(=O)oc2cc(N)ccc12,CO,351.0
10617,Cc1cc(=O)oc2cc(N)ccc12,ClCCl,336.0
10617,Cc1cc(=O)oc2cc(N)ccc12,O,360.0
10618,Cc1cc(=O)oc2cc(O)ccc12,CCO,323.0
6466,CCNc1cc2oc(=O)cc(C(F)(F)F)c2cc1C,CC#N,383.0
6467,CCNc1cc2oc(=O)cc(C)c2cc1C,CC#N,354.0
7727,CN(C)c1ccc2cc(C(=O)NCCNC(=O)CI)c(=O)oc2c1,CO,420.0
5928,CCN(CC)c1cc2oc(=O)cc(C)c2cc1C,CCO,442.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,C1CCC2CCCCC2C1,365.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,C1CCCCC1,364.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC#N,385.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC(C)=O,388.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC(C)O,392.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CC1CCCCC1,364.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCC(C)CC,361.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCC(C)C,360.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCCCC,360.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCCCCO,392.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCCCO,391.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCO,394.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CCOC(C)=O,382.0
6490,CCNc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CO,392.0
8609,COc1c(C(C)=O)c(=O)oc2cc(N(C)C)ccc12,ClCCl,373.0
6216,CCN(CC)c1ccc2cc(/C=C/C(O)=C/C(C)=O)c(=O)oc2c1,CC#N,456.0
6216,CCN(CC)c1ccc2cc(/C=C/C(O)=C/C(C)=O)c(=O)oc2c1,CC(C)=O,456.0
6216,CCN(CC)c1ccc2cc(/C=C/C(O)=C/C(C)=O)c(=O)oc2c1,CCOC(C)=O,447.0
6216,CCN(CC)c1ccc2cc(/C=C/C(O)=C/C(C)=O)c(=O)oc2c1,CO,458.0
6216,CCN(CC)c1ccc2cc(/C=C/C(O)=C/C(C)=O)c(=O)oc2c1,CS(C)=O,470.0
6216,CCN(CC)c1ccc2cc(/C=C/C(O)=C/C(C)=O)c(=O)oc2c1,Cc1ccccc1,447.0
6216,CCN(CC)c1ccc2cc(/C=C/C(O)=C/C(C)=O)c(=O)oc2c1,ClC(Cl)Cl,455.0
6216,CCN(CC)c1ccc2cc(/C=C/C(O)=C/C(C)=O)c(=O)oc2c1,ClCCl,456.0
654,CC(=O)c1c(N[C@@H](CC(C)C)C(=O)O)c2ccc(N(C)C)cc2oc1=O,ClCCl,372.0
655,CC(=O)c1c(N[C@@H](CS)C(=O)O)c2ccc(N(C)C)cc2oc1=O,ClCCl,372.0
658,CC(=O)c1c(N[C@H](C(=O)O)C(C)C)c2ccc(N(C)C)cc2oc1=O,ClCCl,371.0
6526,CCOC(=O)/C=C/c1cc2ccc(O)cc2oc1=O,CCO,367.0
6237,CCN(CC)c1ccc2cc(C#N)c(=O)oc2c1,ClCCl,428.0
6238,CCN(CC)c1ccc2cc(C(=O)NN)c(=O)oc2c1,CO,420.0
6239,CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1,O,409.0
6945,CC[C@H](C)[C@H](Nc1c(C(C)=O)c(=O)oc2cc(N(C)C)ccc12)C(=O)O,ClCCl,371.0
10334,Cc1c(CC(=O)O)c(=O)oc2cc(N)c(S(=O)(=O)O)cc12,O,340.0
10348,Cc1c(NC(=O)CI)c(=O)oc2cc(N(C)C)ccc12,CO,376.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,CCCCCC,353.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,CCCCCCC,352.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,CCCO,379.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,CCOCC,359.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,CN(C)C=O,379.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,Cc1ccccc1,369.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,ClC(Cl)(Cl)Cl,360.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,ClC(Cl)Cl,375.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,ClCCl,376.0
6256,CCN(CC)c1ccc2ccc(=O)oc2c1,c1ccccc1,355.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CS(C)=O,386.0
13378,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,ClCCl,360.0
14519,O=c1ccc2ccccc2o1,O,306.0
13558,O=C(O)CCCCCNC(=O)c1cc2cc(S(=O)(=O)[O-])c(O)c(Cl)c2oc1=O,O,405.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,C1CCCCC1,321.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,C1CCOC1,322.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,C1COCCO1,319.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,CC#N,321.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,CCCCCCC,319.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,CCO,323.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,CN(C)C=O,322.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,CO,322.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,O,324.0
12912,N#C[Se]CCCCCOc1ccc2ccc(=O)oc2c1,OCCO,326.0
6274,CCN(CCCCCC(=O)O)c1ccc2cc(C(=O)NCCS(=O)(=O)[O-])c(=O)oc2c1,CCO,418.0
371,C/C=C(\C=C/C(/C=C/c1cc2ccc(N(CC)CCCCCC(=O)O)cc2oc1=O)=[NH+]/CCCS(=O)(=O)[O-])S(=O)(=O)[O-],CCO,521.0
9690,COc1ccc2c(CC(=O)O)cc(=O)oc2c1,CO,323.0
11475,Cc1ccc2ccccc2c1,C1CCCCC1,303.7667072
3712,CCCCCCCC[Si](C)(C)c1cccc2ccccc12,C1CCCCC1,294.0
13311,Nc1cc2ccccc2cc1N,CO,340.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,C1CCOC1,365.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,C1COCCO1,360.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,CC#N,361.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,CC(C)=O,364.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,CC(C)O,361.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,CCCCCC,350.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,CCOC(C)=O,360.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,CN(C)C=O,369.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,CO,365.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,CS(C)=O,372.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,Cc1ccccc1,354.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,ClC(Cl)Cl,358.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,ClCCl,356.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,O,336.0
14749,[C-]#[N+]c1cccc2c(N)cccc12,c1ccncc1,368.0
11560,Cc1cccc2ccccc12,C1CCCCC1,293.9447384
100,C#Cc1ccc2cc(N(C)C)ccc2c1,CC#N,325.0
100,C#Cc1ccc2cc(N(C)C)ccc2c1,Cc1ccccc1,325.0
100,C#Cc1ccc2cc(N(C)C)ccc2c1,O,314.0
499,C=CC(=O)c1ccc2cc(N(C)C)ccc2c1,CO,391.0
10869,Cc1cc2ccccc2cc1C,C1CCCCC1,304.136253
8157,COC(=O)C(NC(=O)CCNc1cccc2ccccc12)C(C)C,CCO,330.0
14794,[NH3+]c1ccc2ccc(O)cc2c1,O,328.0
104,C#Cc1cccc2ccccc12,C1CCCCC1,310.0
104,C#Cc1cccc2ccccc12,CC#N,306.0
104,C#Cc1cccc2ccccc12,CO,309.0
104,C#Cc1cccc2ccccc12,ClCCl,312.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,C1COCCO1,322.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,CC#N,322.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,CC(C)O,321.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,CCCCO,321.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,CCO,321.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,CCOC(C)=O,322.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,CN(C)C=O,324.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,CO,321.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,CS(C)=O,325.0
14223,O=S(=O)([O-])c1ccc(O)c2ccccc12,O,319.0
14225,O=S(=O)([O-])c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1,O,295.0
14226,O=S(=O)([O-])c1ccc2c([O-])cc(S(=O)(=O)[O-])cc2c1,O,350.0
887,CC(C)(C)[Si](C)(C)c1ccc([Si](C)(C)C(C)(C)C)c2ccccc12,C1CCCCC1,302.0
888,CC(C)(C)[Si](C)(C)c1cccc2ccccc12,C1CCCCC1,295.0
14227,O=S(=O)([O-])c1cccc2c(O)cccc12,O,304.0
14228,O=S(=O)([O-])c1cccc2c([O-])cccc12,O,346.0
8204,COC(=O)CCC(NC(=O)CCNc1cccc2ccccc12)C(=O)OC,CCO,330.0
14663,Oc1ccc2ccccc2c1,C1CCCCC1,310.4625893
10151,C[SiH](C)c1ccc([SiH](C)C)c2ccccc12,C1CCCCC1,300.0
8218,COC(=O)CNC(=O)CCNc1cccc2ccccc12,CCO,330.0
10152,C[SiH](C)c1cccc2ccccc12,C1CCCCC1,294.0
5575,CCCC[Si](C)(C)c1cccc2ccccc12,C1CCCCC1,294.0
14663,Oc1ccc2ccccc2c1,O,328.0
9827,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,CC#N,332.4
9827,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,CCCCO,333.3
9827,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,CCO,332.2
9827,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,CO,332.4
9827,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,ClCCl,333.6
9827,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,O,331.2
10163,C[Si](C)(C)C#Cc1ccc(C#C[Si](C)(C)C)c2ccccc12,C1CCCCC1,347.0
10167,C[Si](C)(C)C#Cc1cccc2ccccc12,C1CCCCC1,316.0
9830,COc1ccc2ccc(O)cc2c1,O,325.0
9831,COc1ccc2ccc([O-])cc2c1,O,337.0
7725,CN(C)c1ccc2cc(C(=O)CBr)ccc2c1,CO,387.0
10185,C[Si](C)(C)c1ccc(C#N)c2ccccc12,C1CCCCC1,315.0
10186,C[Si](C)(C)c1ccc([Si](C)(C)C)c2ccccc12,C1CCCCC1,300.0
13408,Nc1ccc2ccc(O)cc2c1,O,332.0
13409,Nc1ccc2ccc([O-])cc2c1,O,342.0
10190,C[Si](C)(C)c1cccc2c(C#N)cccc12,C1CCCCC1,311.0
10191,C[Si](C)(C)c1cccc2ccccc12,C1CCCCC1,294.0
13425,Nc1cccc2cccc(N)c12,CC#N,349.0
13425,Nc1cccc2cccc(N)c12,CO,334.0
13425,Nc1cccc2cccc(N)c12,CS(C)=O,354.0
13425,Nc1cccc2cccc(N)c12,Cc1ccccc1,334.0
13426,Nc1cccc2ccccc12,C1CCCCC1,311.7206983
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,C1CCCCC1,342.3333333333333
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,C1CCOC1,346.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,C1COCCO1,348.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CC(C)=O,350.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CC(C)O,367.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CC(O)CO,370.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CCC(C)=O,367.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CCCCCC,338.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CCCCCCC,343.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CCCCCCCCO,360.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CCN(CC)CC,343.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CCO,363.6666666666667
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CCOC(C)=O,352.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CN(C)C=O,352.5
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,CO,362.0
1310,CC(C)(C)c1cccc2c(O)cccc12,O,296.0
1311,CC(C)(C)c1cccc2c([O-])cccc12,O,333.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,Cc1ccccc1,348.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,ClC(Cl)Cl,357.5
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,ClCCl,356.5
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,O,362.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,OCC(O)CO,370.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,OCCO,375.0
2246,CCC(=O)c1ccc2cc(N(C)C)ccc2c1,c1ccccc1,355.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,C1CCOC1,369.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CC#N,369.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CC(C)O,450.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CCOC(C)=O,369.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CN(C)C=O,374.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CS(C)=O,376.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,Cc1ccccc1,369.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,ClCCl,368.0
2281,CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,O,438.0
7763,CN(C)c1cccc2c(S(=O)(=O)NCC(=O)O)cccc12,C1COCCO1,262.0
7765,CN(C)c1cccc2c(S(=O)(=O)NCCCCCN)cccc12,CO,334.5
7766,CN(C)c1cccc2c(S(=O)(=O)NCCN)cccc12,CN(C)C=O,339.0
7766,CN(C)c1cccc2c(S(=O)(=O)NCCN)cccc12,CO,335.0
7767,CN(C)c1cccc2c(S(=O)(=O)NN)cccc12,CO,336.0
3173,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C#N,C1CCOC1,361.0
3173,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C#N,CC#N,368.0
3173,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C#N,CCCCCC,336.0
3173,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C#N,CCO,368.0
3173,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C#N,CCOC(C)=O,361.0
3173,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C#N,CS(C)=O,369.0
3173,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C#N,ClCCl,368.0
3173,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C#N,O,368.0
3174,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=C(C#N)C#N,C1CCOC1,476.0
3174,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=C(C#N)C#N,CC#N,477.0
3174,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=C(C#N)C#N,CCCCCC,432.0
3174,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=C(C#N)C#N,CCO,487.0
3174,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=C(C#N)C#N,CCOC(C)=O,469.0
3174,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=C(C#N)C#N,CS(C)=O,487.0
3174,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=C(C#N)C#N,ClCCl,487.0
3174,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=C(C#N)C#N,O,476.0
3175,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,C1CCOC1,381.0
3175,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CC#N,385.0
3175,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CCCCCC,369.0
3175,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CCO,390.0
3175,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CCOC(C)=O,380.0
3175,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CS(C)=O,392.0
3175,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,ClCCl,386.0
3175,CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,O,390.0
8145,COC(=O)C(C)NC(=O)CCNc1cccc2ccccc12,CCO,331.0
8146,COC(=O)C(CCCCNC(=O)CCNc1cccc2ccccc12)NC(C)=O,CCO,330.0
15507,c1ccc2ccccc2c1,C1CCCCC1,288.73010785
15507,c1ccc2ccccc2c1,CCOC(C)=O,413.0
9675,COc1ccc([Si](C)(C)C)c2ccccc12,C1CCCCC1,312.0
14685,Oc1cccc2ccccc12,C1CCCCC1,303.4901366
13253,NC(=O)Cc1cccc2ccccc12,C1COCCO1,283.0
13253,NC(=O)Cc1cccc2ccccc12,CC#N,282.0
13253,NC(=O)Cc1cccc2ccccc12,CCO,282.0
13253,NC(=O)Cc1cccc2ccccc12,ClC(Cl)Cl,283.0
13253,NC(=O)Cc1cccc2ccccc12,O,280.0
13253,NC(=O)Cc1cccc2ccccc12,OCCO,283.0
13253,NC(=O)Cc1cccc2ccccc12,[2H]O[2H],280.0
14812,[O-]c1ccc2ccccc2c1,O,346.0
11465,Cc1ccc2cc(C)ccc2c1,C1CCCCC1,309.8853424
13585,O=C(O)CCNc1cccc2ccccc12,CCO,330.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,CCCCCC,331.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,CCCCCCC,332.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,CCCO,328.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,CCOC(C)=O,328.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,CS(C)=O,329.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,ClC(Cl)Cl,332.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,ClCCl,330.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,C1COCCO1,326.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,CC#N,325.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,CCCCCC,343.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,CCCCCCC,344.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,CCCO,329.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,CCOC(C)=O,326.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,CS(C)=O,334.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,ClC(Cl)Cl,329.0
9347,COc1ccc(C#Cc2ccc(C#N)cc2)cc1OC,ClCCl,331.0
156,C(#Cc1ccccc1)c1ccccc1,CCO,373.0
156,C(#Cc1ccccc1)c1ccccc1,CCOC(C)=O,406.0
156,C(#Cc1ccccc1)c1ccccc1,CO,298.0
156,C(#Cc1ccccc1)c1ccccc1,ClC(Cl)Cl,299.0
156,C(#Cc1ccccc1)c1ccccc1,ClCCl,299.0
3920,CCCCCCN(CCCCCC)c1ccc(C#Cc2c(F)c(F)c(F)c(F)c2F)cc1,CO,357.0
3920,CCCCCCN(CCCCCC)c1ccc(C#Cc2c(F)c(F)c(F)c(F)c2F)cc1,ClCCl,363.0
3924,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CC#N,379.0
3924,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CO,378.0
3924,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(C#N)cc2)cc1,ClCCl,385.0
3925,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1,CO,356.0
3925,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1,ClCCl,362.0
3926,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(N(CCCCCC)CCCCCC)cc2)cc1,CO,380.0
3926,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(N(CCCCCC)CCCCCC)cc2)cc1,ClCCl,387.0
3927,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1,CO,417.0
3927,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1,ClCCl,431.0
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,C1CCCCC1,375.3753754
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,C1CCOC1,370.9198813
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,C1COCCO1,366.0322108
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CC#N,366.1662395
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CC(C)=O,367.6470588
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CC(C)CC(C)(C)C,371.7472119
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CC(C)O,367.6470588
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CC1CCCO1,368.1885125
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CCCCCCCCCCCCCCCC,375.9963904
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CCCCCCCCCCCCCCCCCl,373.9995512
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CCOC(C)=O,366.8378577
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CCOCC,364.6973012
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CN(C)C=O,372.8560776
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CO,365.8982803
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,CS(C)=O,376.6478343
7507,CN(C)c1ccc(C#Cc2ccc(C#N)cc2)cc1,Cc1ccccc1,372.8560776
13139,N#Cc1ccc(C#Cc2ccccc2C#N)cc1,ClC(Cl)Cl,297.0
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,C1CCCCC1,381.5046544
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,C1CCOC1,379.5066414
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,C1COCCO1,375.0093752
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CC#N,375.0093752
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CC(C)=O,388.0029488
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CC(C)CC(C)(C)C,383.494401
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CC(C)O,380.503025
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CC1CCCO1,382.0001528
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CCCCCCCCCCCCCCCC,382.9950211
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CCCCCCCCCCCCCCCCCl,390.00039
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CCOC(C)=O,375.0093752
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CCOCC,372.4949713
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CN(C)C=O,379.5066414
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CO,380.503025
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,CS(C)=O,386.996904
7512,CN(C)c1ccc(C#Cc2ccc(C=O)cc2)cc1,Cc1ccccc1,381.5046544
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,C1CCCCC1,316.8969451
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,C1CCOC1,328.7959492
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,C1COCCO1,326.6052649
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,CC(C)=O,329.4024639
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,CC(C)CC(C)(C)C,315.000315
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,CC(C)O,321.3987273
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,CC1CCCO1,327.0966898
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,CCCCCCCCCCCCCCCC,316.8969451
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,CCCCCCCCCCCCCCCCCl,330.00033
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,CO,324.0020736
7518,CN(C)c1ccc(C#Cc2ccccc2)cc1,Cc1ccccc1,326.2962117
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,C1CCCCC1,359.5053207
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,C1CCOC1,361.8861506
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,C1COCCO1,360.5032626
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CC#N,360.5032626
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CC(C)=O,362.0040544
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CC(C)CC(C)(C)C,364.4979041
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CC(C)O,360.5032626
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CC1CCCO1,354.4967918
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CCCCCCCCCCCCCCCC,365.497076
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CCCCCCCCCCCCCCCCCl,370.4938683
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CCOC(C)=O,357.0026061
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CCOCC,354.4967918
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CN(C)C=O,367.4984381
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CO,359.0019745
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,CS(C)=O,370.00037
8371,COC(=O)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1,Cc1ccccc1,369.4945315
8372,COC(=O)c1ccc(C#Cc2ccccc2)cc1,C1CCCCC1,316.5959602
8372,COC(=O)c1ccc(C#Cc2ccccc2)cc1,CC#N,311.6041381
8372,COC(=O)c1ccc(C#Cc2ccccc2)cc1,CC(C)O,313.8042489
8372,COC(=O)c1ccc(C#Cc2ccccc2)cc1,CCCCCC,314.8019895
8372,COC(=O)c1ccc(C#Cc2ccccc2)cc1,CCCCCCCCCCCCCCCC,317.2991496
8372,COC(=O)c1ccc(C#Cc2ccccc2)cc1,CCCCCCCCCCCCCCCCCl,317.1985028
8372,COC(=O)c1ccc(C#Cc2ccccc2)cc1,CO,311.7984535
14342,O=[N+]([O-])c1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1,CO,329.0
14342,O=[N+]([O-])c1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1,ClCCl,335.0
9969,COc1ccccc1C#Cc1ccccc1OC,ClCCl,330.0
8410,COC(=O)c1ccccc1C#Cc1ccccc1NC(C)=O,CC#N,330.0
8410,COC(=O)c1ccccc1C#Cc1ccccc1NC(C)=O,ClCCl,334.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,C1COCCO1,330.0
9346,COc1ccc(C#Cc2ccc(C#N)cc2)cc1,CC#N,324.0
497,C=CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,429.0
505,C=CCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,428.0
506,C=CCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,423.0
2245,CCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,427.0
3059,CCCCCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,414.0
7600,CN(C)c1ccc(C=CC(=O)c2ccccc2)cc1,CC#N,415.0
7600,CN(C)c1ccc(C=CC(=O)c2ccccc2)cc1,CCOC(C)=O,399.0
7600,CN(C)c1ccc(C=CC(=O)c2ccccc2)cc1,Cc1ccccc1,393.0
622,CC(=O)OCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,427.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,C1CCOC1,350.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,C1COCCO1,354.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,CC#N,352.0
7799,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1,CS(C)=O,429.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,CCCO,360.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,CCO,359.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,CN(C)C=O,362.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,CO,357.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,CS(C)=O,365.0
2851,CCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,428.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,ClC(Cl)Cl,355.0
9236,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC,ClCCl,353.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,C1CCOC1,403.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,CC#N,412.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,CC(=O)O,426.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,CC(C)=O,408.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,CCO,419.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,CN(C)C=O,416.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,CO,421.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,Cc1ccccc1,404.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,ClC(Cl)Cl,417.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,C1CCOC1,413.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,CC#N,419.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,CC(=O)O,430.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,CC(C)=O,418.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,CCO,429.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,CN(C)C=O,427.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,CO,428.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,Cc1ccccc1,416.0
2557,CCCCC(CC)C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,428.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,ClC(Cl)Cl,426.0
7399,CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1,c1ccccc1,420.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,C1CCOC1,404.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,CC#N,410.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,CC(=O)O,423.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,CC(C)=O,407.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,CCO,420.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,CN(C)C=O,419.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,CO,421.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,Cc1ccccc1,406.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,ClC(Cl)Cl,417.0
7400,CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1,c1ccccc1,407.0
7807,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)CCCCCBr)cc2)cc1,CS(C)=O,428.0
7808,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)CCCCCCl)cc2)cc1,CS(C)=O,429.0
8208,COC(=O)CCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,429.0
9371,COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC,c1ccccc1,406.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,C1CCOC1,404.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CC#N,411.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CC(=O)O,427.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CC(C)=O,405.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CCO,422.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CN(C)C=O,419.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CO,419.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,Cc1ccccc1,404.0
2951,CCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,427.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,412.0
11088,Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,c1ccccc1,404.0
8203,COC(=O)CCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,428.0
8478,COCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,429.0
372,C/C=C/C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,429.0
3031,CCCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,427.5
2812,CCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,427.5
2624,CCCCC(CC)COC(=O)/C=C/c1c(OC)ccc(OC)c1OC,CCCCCC,320.0
2624,CCCCC(CC)COC(=O)/C=C/c1c(OC)ccc(OC)c1OC,CO,325.0
2625,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)c(OC)c1OC,CCCCCC,290.0
2625,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)c(OC)c1OC,CO,309.0
2627,CCCCC(CC)COC(=O)/C=C/c1ccccc1OC,CCCCCC,312.0
2627,CCCCC(CC)COC(=O)/C=C/c1ccccc1OC,CO,320.0
2628,CCCCC(CC)COC(=O)/C=C\c1c(OC)ccc(OC)c1OC,CCCCCC,308.0
2628,CCCCC(CC)COC(=O)/C=C\c1c(OC)ccc(OC)c1OC,CO,313.0
2629,CCCCC(CC)COC(=O)/C=C\c1ccc(OC)c(OC)c1OC,CCCCCC,329.0
2629,CCCCC(CC)COC(=O)/C=C\c1ccc(OC)c(OC)c1OC,CO,303.0
2630,CCCCC(CC)COC(=O)/C=C\c1ccccc1OC,CCCCCC,298.0
2630,CCCCC(CC)COC(=O)/C=C\c1ccccc1OC,CO,305.0
13292,N[C@@H](Cc1ccc(O)cc1)C(=O)O,O,285.0
4201,CCCCCCOc1cc(C=C(C#N)C#N)c(OCCCCCC)cc1C=C(C#N)C#N,ClCCl,477.0
4206,CCCCCCOc1cc(C=O)c(OCCCCCC)cc1C=O,ClCCl,403.0
13329,Nc1ccc(C(=O)[O-])c(O)c1,CO,303.0
13329,Nc1ccc(C(=O)[O-])c(O)c1,O,298.0
13339,Nc1ccc(O)c(C(=O)[O-])c1,CO,334.0
13339,Nc1ccc(O)c(C(=O)[O-])c1,O,331.0
13430,Nc1ccccc1,C1CCCCC1,283.1257078
13430,Nc1ccccc1,CCCCCC,243.0
13432,Nc1ccccc1/C=C/C(F)(F)F,C1CCOC1,347.0
13434,Nc1ccccc1C(=O)O,C1CCCCC1,338.0
13434,Nc1ccccc1C(=O)O,C1COCCO1,338.0
13434,Nc1ccccc1C(=O)O,CC#N,336.0
13434,Nc1ccccc1C(=O)O,CC(C)=O,336.0
13434,Nc1ccccc1C(=O)O,CCO,334.0
13434,Nc1ccccc1C(=O)O,CO,334.0
13434,Nc1ccccc1C(=O)O,CS(C)=O,342.0
13434,Nc1ccccc1C(=O)O,OCC(F)(F)F,320.0
13434,Nc1ccccc1C(=O)O,c1ccccc1,340.0
9237,COc1ccc(/C=C/C(F)(F)F)c(N)c1,C1CCOC1,339.0
8081,CNc1ccc(/C=C/C#N)cc1,C1CCCCC1,340.0
8081,CNc1ccc(/C=C/C#N)cc1,C1CCOC1,355.0
8081,CNc1ccc(/C=C/C#N)cc1,C1COCCO1,350.0
8081,CNc1ccc(/C=C/C#N)cc1,CC#N,350.0
8081,CNc1ccc(/C=C/C#N)cc1,CC(C)O,361.0
8081,CNc1ccc(/C=C/C#N)cc1,CC1CCCCC1,337.0
8081,CNc1ccc(/C=C/C#N)cc1,CCO,359.0
8081,CNc1ccc(/C=C/C#N)cc1,CO,356.0
8081,CNc1ccc(/C=C/C#N)cc1,ClC(Cl)Cl,346.0
8081,CNc1ccc(/C=C/C#N)cc1,O,343.0
8082,CNc1ccc(/C=C/C(=O)OC)cc1,O,347.28
5969,CCN(CC)c1ccc(/C=C/C(=O)O)cc1,CCO,469.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,C1COCCO1,385.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CC#N,385.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CC(C)O,390.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CC1CCCCC1,375.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CCCCCC,375.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CCCCO,390.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CCO,387.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CO,387.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,ClCCl,390.0
8122,COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,O,370.0
14635,Oc1ccc(Br)cc1O,C1CCOC1,287.0
10775,Cc1cc(C)cc(C)c1,C1CCCCC1,261.5746796
10775,Cc1cc(C)cc(C)c1,CCCCCC,294.0
6023,CCN(CC)c1ccc(C=CC(=O)O)cc1,CCO,364.0
6023,CCN(CC)c1ccc(C=CC(=O)O)cc1,CN(C)C=O,367.0
6024,CCN(CC)c1ccc(C=C[N+](=O)[O-])cc1,CN(C)C=O,458.0
14686,Oc1ccccc1,C1CCCCC1,265.9574468
6047,CCN(CC)c1ccc(OC)c(C=O)c1,CC#N,412.0
6047,CCN(CC)c1ccc(OC)c(C=O)c1,CC(C)O,418.0
6047,CCN(CC)c1ccc(OC)c(C=O)c1,CCCCCC,400.0
6047,CCN(CC)c1ccc(OC)c(C=O)c1,CCOC(C)=O,406.0
6047,CCN(CC)c1ccc(OC)c(C=O)c1,CO,420.0
6047,CCN(CC)c1ccc(OC)c(C=O)c1,CS(C)=O,424.0
6047,CCN(CC)c1ccc(OC)c(C=O)c1,Cc1ccccc1,411.0
6047,CCN(CC)c1ccc(OC)c(C=O)c1,ClCCl,415.0
377,C/C=C/c1cc(OC)cc(OC)c1,CCCCCC,296.0
379,C/C=C/c1ccc(OC)cc1,CCCCCC,305.0
380,C/C=C/c1cccc(OC)c1,CCCCCC,293.0
14717,Oc1ccccc1O,C1CCOC1,278.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C1CCCCC1,334.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C1CCOC1,352.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C1COCCO1,348.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC#N,352.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)=O,352.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CCCCCC,330.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CCO,348.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CCOC(C)=O,347.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CN(C)C=O,358.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CO,350.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CS(C)=O,363.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],Cc1ccccc1,347.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],ClC(Cl)Cl,350.0
7272,CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],ClCCl,352.0
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,C1CCCCC1,387.4467261
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,C1CCOC1,390.4724717
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,C1COCCO1,391.0833007
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CC#N,390.9304144
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CC(C)=O,389.8635478
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CC(C)OC(C)C,386.6976025
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CC1COC(=O)O1,394.4773176
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCC#N,391.0833007
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCC(C)C,385.2080123
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCCCCC,386.6976025
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCCCCCCCO,393.3910307
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCCCCOCCCCC,388.5003885
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCCCOC(C)=O,389.8635478
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCCCOCCCC,387.5968992
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCCOCCC,389.8635478
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCO,391.6960439
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCOC(C)=O,389.7116134
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CCOCC,390.625
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CN(C)C=O,393.5458481
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CO,392.3107101
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,CS(C)=O,396.8253968
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,Cc1ccccc1,395.256917
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,ClCCCl,394.4773176
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,ClCCl,397.2983711
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,N#Cc1ccccc1,399.3610224
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,O,386.8471954
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,OCC(O)CO,403.3884631
7285,CN(C)c1cc(C#N)c(N(C)C)c(C#N)c1,c1ccccc1,395.7261575
13771,O=C(O)c1ccccc1,O,266.0
540,C=Cc1cc(OC)cc(OC)c1,C1CCCCC1,299.0
13785,O=C(O)c1ccccc1O,O,295.0
553,C=Cc1ccc(OC)c(OC)c1,C1CCCCC1,309.0
554,C=Cc1ccc(OC)cc1,C1CCCCC1,302.0
556,C=Cc1cccc(OC)c1,C1CCCCC1,295.0
13819,O=C([O-])c1ccccc1O,CO,297.0
13819,O=C([O-])c1ccccc1O,O,296.0
608,CC(=O)Nc1ccc(O)cc1,C1CCOC1,293.0
608,CC(=O)Nc1ccc(O)cc1,CC#N,290.0
608,CC(=O)Nc1ccc(O)cc1,CCCCO,290.0
608,CC(=O)Nc1ccc(O)cc1,CO,290.0
608,CC(=O)Nc1ccc(O)cc1,CS(C)=O,293.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,C1CCCCC1,358.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,C1CCOC1,358.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,C1COCCO1,356.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,CC#N,364.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,CCCCO,356.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,CCCO,355.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,CCOC(C)=O,358.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,CO,357.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,Cc1ccccc1,362.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,O,323.0
7398,CN(C)c1ccc(/C=C/C(=O)O)cc1,c1ccccc1,365.0
8322,COC(=O)c1cc(OC)ccc1OC,CO,318.0
8352,COC(=O)c1ccc(/C=C/C(F)(F)F)c(N)c1,C1CCOC1,372.0
9652,COc1ccc(O)c(C(=O)[O-])c1,CO,307.0
9652,COc1ccc(O)c(C(=O)[O-])c1,O,319.0
9653,COc1ccc(O)c(C=O)c1,CO,359.0
9653,COc1ccc(O)c(C=O)c1,ClC(Cl)Cl,364.0
9654,COc1ccc(O)cc1C=O,CO,355.0
9654,COc1ccc(O)cc1C=O,ClC(Cl)Cl,349.0
11055,Cc1ccc(/C=C/C(F)(F)F)c(N)c1,C1CCOC1,346.0
9658,COc1ccc(OC)c(C(=O)O)c1,CO,314.0
9659,COc1ccc(OC)c(C(C)=O)c1,CO,334.0
9661,COc1ccc(OC)c(C=O)c1,C1CCOC1,349.0
9661,COc1ccc(OC)c(C=O)c1,C1COCCO1,348.0
9661,COc1ccc(OC)c(C=O)c1,CC#N,349.0
9661,COc1ccc(OC)c(C=O)c1,CC(C)=O,349.0
9661,COc1ccc(OC)c(C=O)c1,CCCO,352.0
9661,COc1ccc(OC)c(C=O)c1,CCO,352.0
9661,COc1ccc(OC)c(C=O)c1,CN(C)C=O,351.0
9661,COc1ccc(OC)c(C=O)c1,CN(C)P(=O)(N(C)C)N(C)C,352.0
9661,COc1ccc(OC)c(C=O)c1,CNC=O,352.0
9661,COc1ccc(OC)c(C=O)c1,CO,352.0
9661,COc1ccc(OC)c(C=O)c1,CS(C)=O,353.0
9661,COc1ccc(OC)c(C=O)c1,ClC(Cl)Cl,352.0
9661,COc1ccc(OC)c(C=O)c1,NC=O,356.0
9662,COc1ccc(OC)cc1,C1CCCCC1,286.2049227
699,CC(=O)c1ccc(O)c(O)c1,C1CCOC1,303.0
6264,CCN(CC)c1cccc(C=O)c1,CC#N,380.0
6264,CCN(CC)c1cccc(C=O)c1,CC(C)O,382.0
6264,CCN(CC)c1cccc(C=O)c1,CCCCCC,367.0
6264,CCN(CC)c1cccc(C=O)c1,CCOC(C)=O,376.0
6264,CCN(CC)c1cccc(C=O)c1,CO,382.0
6264,CCN(CC)c1cccc(C=O)c1,CS(C)=O,384.0
6264,CCN(CC)c1cccc(C=O)c1,Cc1ccccc1,380.0
6264,CCN(CC)c1cccc(C=O)c1,ClCCl,382.0
11101,Cc1ccc(C(=O)[O-])c(O)c1,CO,292.0
11101,Cc1ccc(C(=O)[O-])c(O)c1,O,295.0
11106,Cc1ccc(C)c(C)c1,C1CCCCC1,263.7826431
11110,Cc1ccc(C)cc1,C1CCCCC1,262.8811777
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CC(C)(C)O,393.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CC(C)CO,392.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CC(C)O,390.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CCCCO,375.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CCCO,365.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CCO,364.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CN(C)C=O,392.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CNC=O,350.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,CO,353.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,NC=O,354.0
8519,COCCOCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOCCOC)cc1C=O,O,394.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CC(C)(C)O,350.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CC(C)CO,350.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CC(C)O,349.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CCCCO,349.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CCCO,349.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CCO,349.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CN(C)C=O,350.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CNC=O,349.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,CO,349.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,NC=O,352.0
8520,COCCOCCOCCOCCOc1ccc(OCCOCCOCCOCCOC)c(C=O)c1,O,351.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CC(C)(C)O,393.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CC(C)CO,390.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CC(C)O,391.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CCCCO,378.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CCCO,367.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CCO,364.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CN(C)C=O,393.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CNC=O,350.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,CO,354.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,NC=O,354.0
8522,COCCOCCOCCOc1cc(C=O)c(OCCOCCOCCOC)cc1C=O,O,394.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CC(C)(C)O,349.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CC(C)CO,349.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CC(C)O,349.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CCCCO,348.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CCCO,348.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CCO,348.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CN(C)C=O,349.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CNC=O,349.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,CO,348.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,NC=O,352.0
8529,COCCOCCOCCOc1ccc(OCCOCCOCCOC)c(C=O)c1,O,350.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,NC=O,357.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,O,396.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CC(C)(C)O,393.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CC(C)CO,393.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CC(C)O,391.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CCCCO,389.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CCCO,378.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CCO,364.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CN(C)C=O,392.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CNC=O,350.0
8532,COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CO,354.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CC(C)(C)O,350.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CC(C)CO,350.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CC(C)O,349.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CCCCO,349.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CCCO,349.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CCO,349.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CN(C)C=O,350.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CNC=O,349.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,CO,348.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,NC=O,353.0
8533,COCCOCCOc1ccc(OCCOCCOC)c(C=O)c1,O,350.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CC(C)(C)O,393.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CC(C)CO,391.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CC(C)O,390.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CCCCO,363.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CCCO,363.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CCO,362.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CN(C)C=O,392.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CNC=O,351.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,CO,353.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,NC=O,354.0
8534,COCCOc1cc(C=O)c(OCCOC)cc1C=O,O,391.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CC(C)(C)O,350.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CC(C)CO,350.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CC(C)O,349.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CCCCO,349.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CCCO,349.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CCO,349.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CN(C)C=O,350.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CNC=O,350.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,CO,348.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,NC=O,353.0
8535,COCCOc1ccc(OCCOC)c(C=O)c1,O,349.0
12826,N#CC(C#N)=C(C#N)c1ccc(O)c(O)c1,C1CCOC1,422.0
7521,CN(C)c1ccc(C#N)cc1,CC#N,291.773309
7521,CN(C)c1ccc(C#N)cc1,CCCCCC,280.2559415
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,C1CCCCC1,353.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,C1CCOC1,362.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,C1COCCO1,359.0
9382,COc1ccc(C(=O)[O-])c(O)c1,CO,298.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,CC#N,363.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,CCCCCCCCO,363.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,CCCCCCO,365.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,CCCCO,363.0
9382,COc1ccc(C(=O)[O-])c(O)c1,O,292.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,CCCO,364.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,CCO,363.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,CCOC(C)=O,360.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,CO,362.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,Cc1ccccc1,362.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,O,373.0
6528,CCOC(=O)/C=C/c1ccc(N(C)C)cc1,c1ccccc1,363.0
7548,CN(C)c1ccc(C(C=C(C#N)C#N)=C(C#N)C#N)cc1,ClCCl,570.0
11367,Cc1ccc(O)c(C(=O)[O-])c1,CO,321.0
11367,Cc1ccc(O)c(C(=O)[O-])c1,O,305.0
11368,Cc1ccc(O)cc1,O,276.0
9941,COc1ccccc1,C1CCCCC1,267.2367718
9941,COc1ccccc1,CC#N,422.0
14115,O=Cc1cc(O)c(C=O)cc1O,C1CCOC1,414.0
8666,COc1cc(/C=C/C(=O)O)ccc1O,O,287.0
14115,O=Cc1cc(O)c(C=O)cc1O,C1COCCO1,414.0
14115,O=Cc1cc(O)c(C=O)cc1O,CC#N,413.0
14115,O=Cc1cc(O)c(C=O)cc1O,CC(C)=O,413.0
14115,O=Cc1cc(O)c(C=O)cc1O,CCCO,415.0
14115,O=Cc1cc(O)c(C=O)cc1O,CCO,413.0
14115,O=Cc1cc(O)c(C=O)cc1O,CN(C)C=O,414.0
14115,O=Cc1cc(O)c(C=O)cc1O,CN(C)P(=O)(N(C)C)N(C)C,427.0
14115,O=Cc1cc(O)c(C=O)cc1O,CNC=O,377.0
14115,O=Cc1cc(O)c(C=O)cc1O,CO,384.0
14115,O=Cc1cc(O)c(C=O)cc1O,CS(C)=O,417.0
14115,O=Cc1cc(O)c(C=O)cc1O,NC=O,356.0
14116,O=Cc1cc(O)ccc1O,C1CCOC1,366.0
14116,O=Cc1cc(O)ccc1O,C1COCCO1,363.0
8673,COc1cc(/C=C/CO)ccc1O,O,295.0
14116,O=Cc1cc(O)ccc1O,CC#N,362.0
14116,O=Cc1cc(O)ccc1O,CC(C)=O,364.0
14116,O=Cc1cc(O)ccc1O,CCCO,367.0
14116,O=Cc1cc(O)ccc1O,CCO,367.0
14116,O=Cc1cc(O)ccc1O,CN(C)C=O,365.0
14116,O=Cc1cc(O)ccc1O,CN(C)P(=O)(N(C)C)N(C)C,369.0
14116,O=Cc1cc(O)ccc1O,CNC=O,358.0
14116,O=Cc1cc(O)ccc1O,CO,364.0
14116,O=Cc1cc(O)ccc1O,CS(C)=O,366.0
14116,O=Cc1cc(O)ccc1O,ClC(Cl)Cl,362.0
14116,O=Cc1cc(O)ccc1O,NC=O,363.0
8712,COc1cc(C(=O)O)cc(OC)c1O,O,260.0
8713,COc1cc(C(=O)O)ccc1O,C1CCCCC1,287.2
8713,COc1cc(C(=O)O)ccc1O,C1COCCO1,290.0
8713,COc1cc(C(=O)O)ccc1O,CC#N,290.0
8713,COc1cc(C(=O)O)ccc1O,CC(C)(C)O,291.0
8713,COc1cc(C(=O)O)ccc1O,CC(C)CO,292.4
8713,COc1cc(C(=O)O)ccc1O,CC(C)O,291.6
8713,COc1cc(C(=O)O)ccc1O,CCOC(C)=O,290.5
8713,COc1cc(C(=O)O)ccc1O,CO,293.6
8713,COc1cc(C(=O)O)ccc1O,O,284.1
1141,CC(C)(C)c1ccc(O)c(O)c1,C1CCOC1,282.0
7620,CN(C)c1ccc(N(C)C)cc1,C1CCCCC1,326.2642741
11519,Cc1cccc(C)c1,C1CCCCC1,259.7402597
11519,Cc1cccc(C)c1,CCCCCC,288.0
13682,O=C(O)c1cc(O)c(O)c(O)c1,O,258.0
13053,N#Cc1cc(N)cc(C#N)c1,CC#N,340.0
13053,N#Cc1cc(N)cc(C#N)c1,CCCCCCC,325.0
13053,N#Cc1cc(N)cc(C#N)c1,CCO,346.0
13053,N#Cc1cc(N)cc(C#N)c1,O,330.0
11567,Cc1ccccc1,C1CCCCC1,256.4760195
11567,Cc1ccccc1,Cc1ccccc1,336.0
11583,Cc1ccccc1C,C1CCCCC1,258.2644628
10156,C[Si](C)(C)C#CC(C#C[Si](C)(C)C)=Cc1ccc(C=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)cc1,ClC(Cl)Cl,412.0
6801,CCOC(=O)c1ccc(N(C)C)cc1,CC#N,308.7912088
13118,N#Cc1ccc(/C=C/C(F)(F)F)c(N)c1,C1CCOC1,367.0
6801,CCOC(=O)c1ccc(N(C)C)cc1,CCCCCC,298.6263736
6801,CCOC(=O)c1ccc(N(C)C)cc1,CCO,309.0
6802,CCOC(=O)c1ccc(N)cc1,CC#N,285.4368932
6802,CCOC(=O)c1ccc(N)cc1,CCCCCC,269.6601942
14279,O=[N+]([O-])c1cc(O)c(O)cc1CO,C1CCOC1,356.0
6820,CCOC(=O)c1cccc(N(C)C)c1,CC#N,340.9340659
6820,CCOC(=O)c1cccc(N(C)C)c1,CCCCCC,334.6153846
6821,CCOC(=O)c1cccc(N)c1,CC#N,322.5728155
6821,CCOC(=O)c1cccc(N)c1,CCCCCC,315.0485437
13144,N#Cc1ccc(C#N)c(N)c1,CC#N,352.0
13144,N#Cc1ccc(C#N)c(N)c1,CCCCCCC,335.0
13144,N#Cc1ccc(C#N)c(N)c1,CCO,358.0
13144,N#Cc1ccc(C#N)c(N)c1,O,349.0
13152,N#Cc1ccc(C[C@H](N)C(=O)O)cc1,C1CCOC1,236.8079946
13152,N#Cc1ccc(C[C@H](N)C(=O)O)cc1,CCO,233.5828443
13152,N#Cc1ccc(C[C@H](N)C(=O)O)cc1,O,233.3347559
13156,N#Cc1ccc(N)c(/C=C/C(F)(F)F)c1,C1CCOC1,348.0
13157,N#Cc1ccc(N)c(C#N)c1,CC#N,326.0
13157,N#Cc1ccc(N)c(C#N)c1,CCCCCCC,325.0
13157,N#Cc1ccc(N)c(C#N)c1,CCO,347.0
13157,N#Cc1ccc(N)c(C#N)c1,O,325.0
13159,N#Cc1ccc(N)cc1,C1CCCCC1,283.0
13159,N#Cc1ccc(N)cc1,CC#N,272.8545344
13159,N#Cc1ccc(N)cc1,CCCCCC,260.9860012
13159,N#Cc1ccc(N)cc1,CCO,276.0
13159,N#Cc1ccc(N)cc1,O,283.0
13159,N#Cc1ccc(N)cc1,OCC(F)(F)F,264.0
13160,N#Cc1ccc(N)cc1C#N,CC#N,328.0
13160,N#Cc1ccc(N)cc1C#N,CCCCCCC,316.0
13160,N#Cc1ccc(N)cc1C#N,CCO,335.0
13160,N#Cc1ccc(N)cc1C#N,O,326.0
13169,N#Cc1ccc(O)c(O)c1,C1CCOC1,290.0
7761,CN(C)c1cccc(C#N)c1,CC#N,340.5850091
7761,CN(C)c1cccc(C#N)c1,CCCCCC,330.4387569
13190,N#Cc1cccc(C#N)c1N,CC#N,343.0
13190,N#Cc1cccc(C#N)c1N,CCCCCCC,332.0
13190,N#Cc1cccc(C#N)c1N,CCO,347.0
13190,N#Cc1cccc(C#N)c1N,O,344.0
13191,N#Cc1cccc(N)c1,C1CCCCC1,310.0
13191,N#Cc1cccc(N)c1,CC#N,319.0505173
13191,N#Cc1cccc(N)c1,CCCCCC,309.1905052
13191,N#Cc1cccc(N)c1,CCO,321.0
13191,N#Cc1cccc(N)c1,O,307.0
13191,N#Cc1cccc(N)c1,OCC(F)(F)F,300.0
13192,N#Cc1cccc(N)c1C#N,CC#N,349.0
13192,N#Cc1cccc(N)c1C#N,CCCCCCC,334.0
13192,N#Cc1cccc(N)c1C#N,CCO,354.0
13192,N#Cc1cccc(N)c1C#N,O,346.0
7772,CN(C)c1ccccc1,C1CCCCC1,293.9447384
13202,N#Cc1ccccc1N,C1CCCCC1,314.0
13202,N#Cc1ccccc1N,CC#N,321.0
13202,N#Cc1ccccc1N,CCO,325.0
13202,N#Cc1ccccc1N,O,315.0
13202,N#Cc1ccccc1N,OCC(F)(F)F,314.0
14366,O=[N+]([O-])c1ccc(O)c(O)c1,C1CCOC1,349.0
14366,O=[N+]([O-])c1ccc(O)c(O)c1,CO,346.0
14366,O=[N+]([O-])c1ccc(O)c(O)c1,O,423.0
14367,O=[N+]([O-])c1ccc(O)cc1,CO,309.0
14367,O=[N+]([O-])c1ccc(O)cc1,O,401.0
15523,c1ccccc1,C1CCCCC1,255.0
15523,c1ccccc1,CS(C)=O,652.0
14393,O=[N+]([O-])c1cccc(O)c1,CO,329.0
14393,O=[N+]([O-])c1cccc(O)c1,O,328.0
14401,O=[N+]([O-])c1ccccc1O,CO,338.0
14401,O=[N+]([O-])c1ccccc1O,O,411.0
8159,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1,CC#N,308.0
8159,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1,CC1CCCCC1,328.0
8159,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1,CO,309.0
8160,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1,CC#N,312.0
8160,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1,CC1CCCCC1,327.0
8160,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1,CO,313.0
8161,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)c(OC)cc3OC)nc2c1,CC#N,333.0
8161,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)c(OC)cc3OC)nc2c1,CC1CCCCC1,327.0
8161,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)c(OC)cc3OC)nc2c1,CO,335.0
8162,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)ccc3OC)nc2c1,CC#N,333.0
8162,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)ccc3OC)nc2c1,CC1CCCCC1,332.0
8162,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cc(OC)ccc3OC)nc2c1,CO,337.0
8163,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(C#N)cc3)nc2c1,CC#N,333.0
8163,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(C#N)cc3)nc2c1,CC1CCCCC1,337.0
8163,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(C#N)cc3)nc2c1,CO,317.0
8164,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(F)cc3)nc2c1,CC#N,314.0
8164,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(F)cc3)nc2c1,CC1CCCCC1,317.0
8164,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(F)cc3)nc2c1,CO,302.0
8165,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(N(C)C)cc3OC)nc2c1,CC#N,343.0
8165,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(N(C)C)cc3OC)nc2c1,CC1CCCCC1,336.0
8165,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(N(C)C)cc3OC)nc2c1,CO,346.0
8166,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(O)cc3O)nc2c1,CC#N,320.0
8166,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(O)cc3O)nc2c1,CC1CCCCC1,336.0
8166,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(O)cc3O)nc2c1,CO,321.0
522,C=CCOc1ccc(-c2nc3cc(C(NC(=O)OC(C)(C)C)C(=O)OC)ccc3o2)cc1,CC#N,309.0
522,C=CCOc1ccc(-c2nc3cc(C(NC(=O)OC(C)(C)C)C(=O)OC)ccc3o2)cc1,CC1CCCCC1,324.0
522,C=CCOc1ccc(-c2nc3cc(C(NC(=O)OC(C)(C)C)C(=O)OC)ccc3o2)cc1,CO,309.0
5959,CCN(CC)c1ccc(-c2nc3cc(C(NC(=O)OC(C)(C)C)C(=O)OC)ccc3o2)c(O)c1,CC#N,364.0
5959,CCN(CC)c1ccc(-c2nc3cc(C(NC(=O)OC(C)(C)C)C(=O)OC)ccc3o2)c(O)c1,CC1CCCCC1,364.0
5959,CCN(CC)c1ccc(-c2nc3cc(C(NC(=O)OC(C)(C)C)C(=O)OC)ccc3o2)c(O)c1,CO,364.0
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCCCC1,335.0981838
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCOC1,341.7985439
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,C1COCCO1,340.7967829
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC#N,343.394801
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)=O,343.1002539
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CC(C)(C)C,333.000333
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CO,344.4949704
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)O,343.9026068
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)OC(C)C,339.5009336
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(O)CO,349.5037047
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1CCCO1,338.9026333
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1COC(=O)O1,345.1012872
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCC(C)CC,333.000333
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCC,332.9005626
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCC,333.6002135
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCCC,334.8961822
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCCCC,334.8961822
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCO,345.697791
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCO,345.6022119
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCO,342.7004798
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCO,345.9010723
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCO,346.5964231
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOC(C)=O,339.6969903
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOCC,338.2034632
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CN(C)C=O,346.5003465
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CO,346.5003465
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,COCCOC,343.9026068
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,CS(C)=O,348.5049139
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1,341.997264
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1C,341.4017958
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,ClC(Cl)Cl,344.6018126
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,ClCCl,344.4949704
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,NC=O,349.4060098
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,OC1CCCCC1,346.5003465
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,OCCO,351.9020305
8150,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)NC(=O)OC(C)(C)C,c1ccccc1,342.9943406
12788,N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CC#N,373.0
12788,N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CCO,410.0
12788,N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CO,400.0
12788,N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClC(Cl)Cl,439.0
14641,Oc1ccc(N(c2ccccc2)c2ccccc2)cc1O,C1CCOC1,298.0
13516,O=C(O)/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCO,369.0
12301,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1)C(=O)O,CO,416.0
1124,CC(C)(C)c1ccc(N(c2ccc(/C=C(\C#N)C(=O)O)cc2)c2ccc(C(C)(C)C)cc2)cc1,CC#N,426.0
12806,N#CC(=Cc1cccc(N(c2ccccc2)c2ccccc2)c1)C(=O)O,C1CCOC1,395.0
9543,COc1ccc(N(c2ccc(C#C/C=C(/C#N)C(=O)O)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,440.0
12301,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1)C(=O)O,ClC(Cl)Cl,426.0
12303,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CCO,395.0
12303,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClC(Cl)Cl,448.0
13546,O=C(O)C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,370.0
12303,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClCCl,438.0
13769,O=C(O)c1cccc(N(c2ccccc2)c2ccccc2)c1,C1CCOC1,346.0
13545,O=C(O)C=Cc1ccc(N(c2ccccc2)c2ccc(C=CC(=O)O)cc2)cc1,CN(C)C=O,392.0
12567,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CO,407.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,C1COCCO1,448.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CC#N,454.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CC(C)=O,454.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CCOC(C)=O,450.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CN(C)C=O,454.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CO,454.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,Cc1ccccc1,456.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,ClC(Cl)Cl,452.0
8749,COc1cc(N(c2ccc(C=C(C#N)C#N)c(OC)c2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,ClCCl,460.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,C1COCCO1,464.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CC#N,477.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CC(C)=O,470.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CCOC(C)=O,468.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CN(C)C=O,469.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CO,471.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,Cc1ccccc1,471.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,ClC(Cl)Cl,480.0
8751,COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,ClCCl,479.0
12303,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CO,407.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,C1COCCO1,436.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CC#N,440.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CC(C)=O,440.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CCOC(C)=O,439.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CN(C)C=O,445.0
551,C=Cc1ccc(N(c2ccccc2)c2ccc(C=C(C#N)C(=O)O)cc2)cc1,CO,403.0
552,C=Cc1ccc(N(c2ccccc2)c2ccc(C=CC=C(C#N)C(=O)O)cc2)cc1,CO,425.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CO,442.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,Cc1ccccc1,443.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,ClC(Cl)Cl,449.0
8753,COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,ClCCl,446.0
12837,N#CC(C#N)=CC(=C(C#N)C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,600.0
12629,N#CC(=CC#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClCCl,466.0
12325,N#C/C(=C\C=C(/Cl)c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CC#N,462.0
3093,CCCCCCCCCCCCCCCCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCCCC1,334.0
3093,CCCCCCCCCCCCCCCCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,334.0
3093,CCCCCCCCCCCCCCCCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,332.0
3093,CCCCCCCCCCCCCCCCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCOC(C)=O,334.0
3093,CCCCCCCCCCCCCCCCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCCl,336.0
3093,CCCCCCCCCCCCCCCCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1,c1ccccc1,334.0
14272,O=[N+]([O-])C=Cc1ccc(N(c2ccccc2)c2ccc(C=C[N+](=O)[O-])cc2)cc1,CN(C)C=O,456.0
9614,COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1,Cc1ccccc1,300.0
14273,O=[N+]([O-])C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,438.0
9617,COc1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,299.0
3563,CCCCCCCCOc1ccc(N(c2ccc(/C=C(\C#N)C(=O)O)cc2)c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,440.0
12567,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CC#N,422.0
3566,CCCCCCCCOc1ccc(N(c2ccc(C=C(C#N)C(=O)O)cc2)c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,440.0
12567,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClCCl,438.0
13661,O=C(O)Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,329.0
12788,N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,C1CCOC1,367.5
7868,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,CS(C)=O,433.0
7869,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1,CS(C)=O,432.0
11095,Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c(F)c1F,CS(C)=O,431.0
7871,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1,CS(C)=O,430.0
7872,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)cc1,CS(C)=O,432.0
7873,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1,CS(C)=O,431.0
7874,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)cc1,CS(C)=O,431.0
1477,CC(C)c1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,430.0
7875,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(Cl)c3F)cc2)cc1,CS(C)=O,432.0
7876,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1,CS(C)=O,431.0
7877,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(F)c3F)cc2)cc1,CS(C)=O,432.0
7878,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)cc1,CS(C)=O,431.0
7879,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1,CS(C)=O,430.0
7880,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1,CS(C)=O,430.0
7881,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1,CS(C)=O,431.0
7882,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1,CS(C)=O,431.0
7883,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3I)cc2)cc1,CS(C)=O,429.0
8711,COc1cc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc(OC)c1OC,CS(C)=O,430.0
11097,Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1F,CS(C)=O,432.0
11096,Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,430.0
11517,Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1,CS(C)=O,430.0
11518,Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1C,CS(C)=O,429.0
3317,CCCCCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,429.0
9377,COc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,430.0
9378,COc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1C(F)(F)F,CS(C)=O,431.0
3337,CCCCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,428.0
5500,CCCCOc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,429.0
11585,Cc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,430.0
11196,Cc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1F,CS(C)=O,431.0
11198,Cc1ccc(F)c(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1Cl,CS(C)=O,431.0
11199,Cc1ccc(F)c(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1F,CS(C)=O,431.0
5198,CCCCCc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,429.0
11200,Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,431.0
5894,CCCc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,428.0
3900,CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,425.0
4318,CCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,429.0
3902,CCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,426.0
10633,Cc1cc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)ccc1F,CS(C)=O,430.0
598,CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,431.0
5611,CCCCc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,429.0
9903,COc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1,CS(C)=O,431.0
648,CC(=O)Oc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,430.0
6925,CCOc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,429.0
4947,CCCCCCc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,428.0
9657,COc1ccc(OC)c(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1,CS(C)=O,429.0
9970,COc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,430.0
7815,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(C(F)(F)F)ccc(Cl)c3F)cc2)cc1,CS(C)=O,431.0
7816,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)c(F)c(Cl)c(F)c3F)cc2)cc1,CS(C)=O,432.0
7817,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(Br)c3F)cc2)cc1,CS(C)=O,432.0
7818,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3Br)cc2)cc1,CS(C)=O,432.0
7819,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1,CS(C)=O,432.0
7820,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)cc(F)cc3F)cc2)cc1,CS(C)=O,433.0
7821,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)ccc(Cl)c3F)cc2)cc1,CS(C)=O,433.0
7822,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)ccc(F)c3Cl)cc2)cc1,CS(C)=O,432.0
7823,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)cccc3C(F)(F)F)cc2)cc1,CS(C)=O,431.0
7824,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cc1,CS(C)=O,431.0
7825,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1,CS(C)=O,431.0
7826,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1,CS(C)=O,432.0
7827,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)cc(Cl)c3F)cc2)cc1,CS(C)=O,433.0
7828,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)cc1,CS(C)=O,431.0
7829,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2)cc1,CS(C)=O,431.0
7830,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1,CS(C)=O,431.0
7831,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)cc1,CS(C)=O,431.0
7832,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)cc1,CS(C)=O,431.0
7833,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)cc1,CS(C)=O,431.0
7834,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)cc1,CS(C)=O,432.0
7835,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)cc1,CS(C)=O,431.0
7836,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)cc1,CS(C)=O,429.0
7837,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(F)ccc3F)cc2)cc1,CS(C)=O,432.0
7838,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(I)ccc3F)cc2)cc1,CS(C)=O,431.0
7839,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)cc1,CS(C)=O,432.0
7851,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1,CS(C)=O,431.0
7852,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)cc1,CS(C)=O,433.0
7853,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)cc1,CS(C)=O,431.0
7854,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1,CS(C)=O,431.0
7855,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)cc1,CS(C)=O,431.0
7856,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1,CS(C)=O,425.0
7857,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1,CS(C)=O,431.0
7858,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1,CS(C)=O,431.0
7860,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)cc1,CS(C)=O,432.0
7861,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)cc1,CS(C)=O,431.0
7862,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)cc1,CS(C)=O,432.0
7863,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1,CS(C)=O,430.0
7864,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)cc1,CS(C)=O,431.0
7865,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)cc1,CS(C)=O,431.0
7866,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(F)cc3F)cc2)cc1,CS(C)=O,431.0
7867,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)cc1,CS(C)=O,431.0
859,CC(C)(C)OC(=O)NCC(=O)OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,439.0
860,CC(C)(C)OC(=O)NCCCC(=O)OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,439.0
750,CC(C)(C)C#Cc1ccc2c3cccc4cccc(c5cccc1c52)c43,C1CCCCC1,455.0
614,CC(=O)Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,C1COCCO1,447.0
614,CC(=O)Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCCCOCCCC,453.0
614,CC(=O)Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCOC(C)=O,451.0
9781,COc1ccc2c3cccc4c(OC)ccc(c5cccc1c52)c43,C1CCOC1,458.0
9781,COc1ccc2c3cccc4c(OC)ccc(c5cccc1c52)c43,Cc1ccccc1,459.0
9781,COc1ccc2c3cccc4c(OC)ccc(c5cccc1c52)c43,ClC(Cl)(Cl)Cl,460.0
9781,COc1ccc2c3cccc4c(OC)ccc(c5cccc1c52)c43,ClC(Cl)Cl,459.0
9781,COc1ccc2c3cccc4c(OC)ccc(c5cccc1c52)c43,ClCCl,459.0
9781,COc1ccc2c3cccc4c(OC)ccc(c5cccc1c52)c43,c1ccncc1,463.0
13760,O=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)O)c1c25)c43,CCO,480.0
3612,CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,c1ccncc1,464.0
3612,CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,C1CCOC1,460.0
3612,CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,Cc1ccccc1,462.0
3612,CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,ClC(Cl)(Cl)Cl,462.0
3612,CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,ClC(Cl)Cl,462.0
3612,CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,ClCCl,461.0
14596,OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,439.0
8391,COC(=O)c1ccc2c3ccc(C(=O)OC)c4c(C(=O)OC)ccc(c5ccc(C(=O)OC)c1c25)c43,C1COCCO1,470.0
8391,COC(=O)c1ccc2c3ccc(C(=O)OC)c4c(C(=O)OC)ccc(c5ccc(C(=O)OC)c1c25)c43,CC#N,465.0
8391,COC(=O)c1ccc2c3ccc(C(=O)OC)c4c(C(=O)OC)ccc(c5ccc(C(=O)OC)c1c25)c43,CC(C)=O,465.0
8391,COC(=O)c1ccc2c3ccc(C(=O)OC)c4c(C(=O)OC)ccc(c5ccc(C(=O)OC)c1c25)c43,CC(C)O,476.0
8391,COC(=O)c1ccc2c3ccc(C(=O)OC)c4c(C(=O)OC)ccc(c5ccc(C(=O)OC)c1c25)c43,CCCCO,476.0
8391,COC(=O)c1ccc2c3ccc(C(=O)OC)c4c(C(=O)OC)ccc(c5ccc(C(=O)OC)c1c25)c43,CN(C)C=O,468.0
8391,COC(=O)c1ccc2c3ccc(C(=O)OC)c4c(C(=O)OC)ccc(c5ccc(C(=O)OC)c1c25)c43,CO,465.0
8391,COC(=O)c1ccc2c3ccc(C(=O)OC)c4c(C(=O)OC)ccc(c5ccc(C(=O)OC)c1c25)c43,ClC(Cl)Cl,469.0
5457,CCCCOc1c(Br)cc2cc(Br)c(OCCCC)c3c4c(OCCCC)c(Br)cc5cc(Br)c(OCCCC)c(c1c23)c54,ClCCl,443.0
5458,CCCCOc1c(C#N)cc2cc(C#N)c(OCCCC)c3c4c(OCCCC)c(C#N)cc5cc(C#N)c(OCCCC)c(c1c23)c54,ClCCl,454.0
1533,CC(NC(=O)OC(C)(C)C)C(=O)OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,437.0
2944,CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,Cc1ccccc1,448.0
2944,CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,C1CCOC1,445.0
2944,CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,ClC(Cl)(Cl)Cl,448.0
2944,CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,ClCCl,445.0
2944,CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,ClC(Cl)Cl,446.0
2944,CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,c1ccncc1,449.0
5463,CCCCOc1c(OC)cc2cc(OC)c(OCCCC)c3c4c(OCCCC)c(OC)cc5cc(OC)c(OCCCC)c(c1c23)c54,ClCCl,451.0
14906,c1cc2cccc3c4cccc5cccc(c(c1)c23)c54,C1CCCCC1,435.0
10155,C[Si](C)(C)C#CC#Cc1ccc2c3cccc4cccc(c5cccc1c52)c43,C1CCCCC1,470.0
14906,c1cc2cccc3c4cccc5cccc(c(c1)c23)c54,ClC(Cl)Cl,438.5
14906,c1cc2cccc3c4cccc5cccc(c(c1)c23)c54,ClCCl,438.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,C1CCCCC1,452.0
10166,C[Si](C)(C)C#Cc1ccc2c3cccc4cccc(c5cccc1c52)c43,C1CCCCC1,459.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,C1CCOC1,468.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,C1COCCO1,464.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,CC#N,467.3333333333333
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,CC(C)=O,471.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCCCOCCCC,455.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCOC(C)=O,463.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,CN(C)C=O,482.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,CO,460.0
13405,Nc1ccc2c3cccc4cccc(c5cccc1c52)c43,ClCCl,465.0
8918,COc1ccc(-c2c3c(n4cc(C(C)=O)ccc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,354.0
8919,COc1ccc(-c2c3c(n4cc(C)ccc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,344.0
8920,COc1ccc(-c2c3c(n4ccc(C(C)=O)cc24)C(=O)N(CCCNC(=O)OC(C)(C)C)C3)cc1,CO,412.0
8921,COc1ccc(-c2c3c(n4ccc(C(C)=O)cc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,412.0
8922,COc1ccc(-c2c3c(n4ccc(C)cc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,345.0
8923,COc1ccc(-c2c3c(n4cccc(C(C)=O)c24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,340.0
8924,COc1ccc(-c2c3c(n4cccc(C)c24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,339.0
11619,Cc1cccn2c3c(c(-c4ccc(Br)cc4)c12)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,338.0
5936,CCN(CC)c1ccc(-c2c3c(n4ccc(C(C)=O)cc24)C(=O)N(CCCNC(=O)OC(C)(C)C)C3)cc1,CO,441.0
11623,Cc1ccn2c3c(c(-c4ccc(Br)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,318.0
11624,Cc1ccn2c3c(c(-c4ccc(C#N)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,344.0
10893,Cc1ccc(-c2c3c(n4ccc(C)cc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,344.0
9946,COc1ccccc1-c1c2c(n3ccc(C#N)cc13)C(=O)N(C(C)CO)C2,ClCCl,391.0
9871,COc1cccc(-c2c3c(n4ccc(C(C)=O)cc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)c1,ClCCl,405.0
9947,COc1ccccc1-c1c2c(n3ccc(C(C)=O)cc13)C(=O)N(C(C)CO)C2,ClCCl,404.0
9948,COc1ccccc1-c1c2c(n3ccc(C(C)=O)cc13)C(=O)N(CCNC(=O)OC(C)(C)C)C2,ClCCl,405.0
9949,COc1ccccc1-c1c2c(n3ccccc13)C(=O)N(C(C)CO)C2,ClCCl,320.0
9995,COc1ccn2c3c(c(-c4ccc(C#N)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,344.0
701,CC(=O)c1ccc2c(-c3ccc(Br)cc3)c3c(n2c1)C(=O)N(CCNC(=O)OC(C)(C)C)C3,ClCCl,347.0
5787,CCCN(CCC)c1ccc(-c2c3c(n4ccc(C(=O)OC)cc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,429.0
5788,CCCN(CCC)c1ccc(-c2c3c(n4ccc(C(C)=O)cc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,445.0
9997,COc1ccn2c3c(c(-c4ccc(N(C)C)cc4)c2c1)CN(C(C)CO)C3=O,ClCCl,311.0
11416,Cc1ccc2c(-c3ccc(Br)cc3)c3c(n2c1)C(=O)N(CCNC(=O)OC(C)(C)C)C3,ClCCl,312.0
1522,CC(CO)N1Cc2c(-c3ccc(N(C)C)cc3)c3cc(C#N)ccn3c2C1=O,ClCCl,428.0
1523,CC(CO)N1Cc2c(-c3ccc(N(C)C)cc3)c3ccccn3c2C1=O,ClCCl,298.0
9998,COc1ccn2c3c(c(-c4ccccc4)c2c1)CN(C(C)CO)C3=O,ClCCl,320.0
1525,CC(CO)N1Cc2c(-c3ccccc3)c3cc(C#N)ccn3c2C1=O,ClCCl,388.0
1526,CC(CO)N1Cc2c(-c3ccccc3)c3ccccn3c2C1=O,ClCCl,298.0
9999,COc1ccn2c3c(c(-c4ccccc4OC)c2c1)CN(C(C)CO)C3=O,ClCCl,323.0
714,CC(=O)c1cccn2c3c(c(-c4ccc(Br)cc4)c12)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,387.0
9994,COc1ccn2c3c(c(-c4ccc(Br)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,325.0
716,CC(=O)c1ccn2c3c(c(-c4ccc(Br)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,405.0
717,CC(=O)c1ccn2c3c(c(-c4ccc(C#N)c(C#N)c4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,402.0
718,CC(=O)c1ccn2c3c(c(-c4ccc(C#N)cc4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,398.0
719,CC(=O)c1ccn2c3c(c(-c4ccc(C#N)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,407.0
720,CC(=O)c1ccn2c3c(c(-c4ccc(C(F)(F)F)cc4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,405.0
721,CC(=O)c1ccn2c3c(c(-c4ccc(C)cc4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,404.0
722,CC(=O)c1ccn2c3c(c(-c4ccc(C)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,408.0
723,CC(=O)c1ccn2c3c(c(-c4ccc(F)cc4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,402.0
724,CC(=O)c1ccn2c3c(c(-c4ccc(N(C)C)cc4)c2c1)CN(C(C)CO)C3=O,ClCCl,440.0
9996,COc1ccn2c3c(c(-c4ccc(C)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,337.0
726,CC(=O)c1ccn2c3c(c(-c4ccc(N)cc4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,417.0
727,CC(=O)c1ccn2c3c(c(-c4ccc(O)cc4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,413.0
728,CC(=O)c1ccn2c3c(c(-c4cccc(Br)c4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,403.0
729,CC(=O)c1ccn2c3c(c(-c4cccc(C#N)c4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,400.0
730,CC(=O)c1ccn2c3c(c(-c4cccc(N(C)C)c4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,408.0
731,CC(=O)c1ccn2c3c(c(-c4ccccc4)c2c1)CN(C(C)CO)C3=O,ClCCl,403.0
732,CC(=O)c1ccn2c3c(c(-c4ccccc4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,403.0
733,CC(=O)c1ccn2c3c(c(-c4ccccc4Br)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,391.0
734,CC(=O)c1ccn2c3c(c(-c4ccccc4C#N)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,392.0
735,CC(=O)c1ccn2c3c(c(-c4ccccc4N(C)C)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,410.0
8439,COC(=O)c1ccn2c3c(c(-c4ccc(Br)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,393.0
8440,COC(=O)c1ccn2c3c(c(-c4ccc(C#N)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,394.0
8441,COC(=O)c1ccn2c3c(c(-c4ccc(C)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,396.0
8443,COC(=O)c1ccn2c3c(c(-c4ccc(OC)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,400.0
747,CC(C)(C)/C=C/C1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(/C=C/C(C)(C)C)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,582.0
2051,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(C)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,505.0
2051,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(C)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CC#N,503.0
2051,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(C)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CCO,504.0
2051,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(C)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CN(C)C=O,506.0
2051,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(C)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,Cc1ccccc1,509.0
2051,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(C)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,506.0
2052,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3cc3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CC#N,502.0
2052,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3cc3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,504.0
2052,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3cc3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CN(C)C=O,505.0
2052,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3cc3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,Cc1ccccc1,508.0
2052,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3cc3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,506.0
2052,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3cc3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CCO,505.0
10366,Cc1c2ccccc2c(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)c2ccccc12,CC#N,502.0
10366,Cc1c2ccccc2c(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)c2ccccc12,CCCCCC,504.0
10366,Cc1c2ccccc2c(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)c2ccccc12,CCO,503.0
10366,Cc1c2ccccc2c(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)c2ccccc12,CN(C)C=O,506.0
10366,Cc1c2ccccc2c(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)c2ccccc12,Cc1ccccc1,508.0
10366,Cc1c2ccccc2c(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)c2ccccc12,ClCCl,506.0
12128,F[B-]1(F)n2cccc2C(c2c3ccccc3cc3ccccc23)=C2C=CC=[N+]21,CC#N,502.0
12128,F[B-]1(F)n2cccc2C(c2c3ccccc3cc3ccccc23)=C2C=CC=[N+]21,CCCCCC,505.0
12128,F[B-]1(F)n2cccc2C(c2c3ccccc3cc3ccccc23)=C2C=CC=[N+]21,CCO,503.0
12128,F[B-]1(F)n2cccc2C(c2c3ccccc3cc3ccccc23)=C2C=CC=[N+]21,CN(C)C=O,506.0
12128,F[B-]1(F)n2cccc2C(c2c3ccccc3cc3ccccc23)=C2C=CC=[N+]21,Cc1ccccc1,508.0
12128,F[B-]1(F)n2cccc2C(c2c3ccccc3cc3ccccc23)=C2C=CC=[N+]21,ClCCl,506.0
2433,CCC1=C(C)C2=C(c3c4ccccc4c(C)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,527.0
2433,CCC1=C(C)C2=C(c3c4ccccc4c(C)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCC,529.0
2433,CCC1=C(C)C2=C(c3c4ccccc4c(C)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCO,528.0
2433,CCC1=C(C)C2=C(c3c4ccccc4c(C)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,530.0
2433,CCC1=C(C)C2=C(c3c4ccccc4c(C)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,532.0
2433,CCC1=C(C)C2=C(c3c4ccccc4c(C)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,531.0
2434,CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,527.0
2434,CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCC,530.0
2434,CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCO,528.0
2434,CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,530.0
2434,CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,533.0
2434,CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,531.0
2135,CC1=[N+]2C(=C(c3c4ccccc4c(C)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,514.0
2135,CC1=[N+]2C(=C(c3c4ccccc4c(C)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CCCCCC,515.0
2135,CC1=[N+]2C(=C(c3c4ccccc4c(C)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CCO,515.0
2135,CC1=[N+]2C(=C(c3c4ccccc4c(C)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CN(C)C=O,517.0
2135,CC1=[N+]2C(=C(c3c4ccccc4c(C)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,519.0
2135,CC1=[N+]2C(=C(c3c4ccccc4c(C)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,ClCCl,517.0
2136,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(/C=C/C(C)(C)C)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,549.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,518.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,ClCCl,518.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCOC1,517.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,514.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CCCCCC,515.5
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CCO,515.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CN(C)C=O,517.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CO,517.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CS(C)=O,519.0
2137,CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,519.0
11127,Cc1ccc(C2=C3C=C(I)C(I)=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,C1CCCCC1,581.0
11127,Cc1ccc(C2=C3C=C(I)C(I)=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,CC#N,571.0
11127,Cc1ccc(C2=C3C=C(I)C(I)=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,CCO,577.0
11127,Cc1ccc(C2=C3C=C(I)C(I)=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,CCOC(C)=O,573.5
11127,Cc1ccc(C2=C3C=C(I)C(I)=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,CO,574.5
11127,Cc1ccc(C2=C3C=C(I)C(I)=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,OCC(F)(F)F,569.0
11128,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,C1CCCCC1,563.5
11128,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,CC#N,553.0
10024,CSC1=C(C)C2=C(c3ccc(C)cc3)c3c(C)c(Cl)c(C)n3[B-](F)(F)[N+]2=C1C,C1CCOC1,518.0
11128,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,CCO,559.0
11128,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,CCOC(C)=O,556.5
5429,CCCCNc1ccc2n1[B-](F)(F)[N+]1=CC(/C=C/C(=O)OC(C)(C)C)=CC1=C2c1c(C)cc(C)cc1C,ClCCl,499.0
11128,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,CO,557.5
11128,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3c2cc(I)c3I)cc1,OCC(F)(F)F,553.0
11129,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,C1CCCCC1,548.5
11129,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,CC#N,542.0
11129,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,CCO,544.0
11129,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,CCOC(C)=O,542.0
11129,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,CO,542.0
11129,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,OCC(F)(F)F,539.0
11130,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,OCC(F)(F)F,513.0
11130,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,C1CCCCC1,523.5
11130,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,CC#N,516.5
11130,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,CCO,518.0
11130,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,CCOC(C)=O,517.0
11130,Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,CO,516.5
8473,COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,C1CCCCC1,513.0
8473,COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,C1CCOC1,514.0
8473,COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CC#N,510.0
8473,COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CCOC(C)=O,512.0
8473,COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CO,510.0
8473,COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,Cc1ccccc1,517.0
8473,COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,516.0
8474,COC1=[N+]2C(=C(c3ccccc3)c3cc(SC#N)c(OC)n3[B-]2(F)F)C=C1SC#N,CC#N,513.0
8474,COC1=[N+]2C(=C(c3ccccc3)c3cc(SC#N)c(OC)n3[B-]2(F)F)C=C1SC#N,CCCCCC,518.0
8474,COC1=[N+]2C(=C(c3ccccc3)c3cc(SC#N)c(OC)n3[B-]2(F)F)C=C1SC#N,CCOC(C)=O,515.0
8474,COC1=[N+]2C(=C(c3ccccc3)c3cc(SC#N)c(OC)n3[B-]2(F)F)C=C1SC#N,CO,512.0
8474,COC1=[N+]2C(=C(c3ccccc3)c3cc(SC#N)c(OC)n3[B-]2(F)F)C=C1SC#N,ClCCl,518.0
8475,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CC#N,510.0
8475,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CCCCCC,513.0
8475,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CCOC(C)=O,512.0
8475,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CO,511.0
8475,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,ClCCl,515.0
8476,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1SC#N,CC#N,504.0
8476,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1SC#N,CCCCCC,514.0
8476,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1SC#N,CCOC(C)=O,506.0
8476,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1SC#N,CO,497.0
8476,COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1SC#N,ClCCl,515.0
8765,COc1cc(OC)c(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)c(OC)c1,C1CCOC1,506.0
8765,COc1cc(OC)c(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)c(OC)c1,CC#N,501.0
8765,COc1cc(OC)c(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)c(OC)c1,CC(=O)C(C)(C)C,505.0
8765,COc1cc(OC)c(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)c(OC)c1,CC(C)=O,503.0
8765,COc1cc(OC)c(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)c(OC)c1,CCCCCC,505.0
8765,COc1cc(OC)c(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)c(OC)c1,CCOC(C)=O,503.0
8765,COc1cc(OC)c(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)c(OC)c1,CO,503.0
848,CC(C)(C)OC(=O)/C=C/C1=CC2=C(c3ccccc3)c3cccn3[B-](F)(F)[N+]2=C1,ClCCl,538.0
2140,CC1=[N+]2C(=C(c3ccc(C#N)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCCCC1,517.0
2140,CC1=[N+]2C(=C(c3ccc(C#N)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCOC1,516.0
2140,CC1=[N+]2C(=C(c3ccc(C#N)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,512.0
2140,CC1=[N+]2C(=C(c3ccc(C#N)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCOC(C)=O,513.0
2140,CC1=[N+]2C(=C(c3ccc(C#N)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CO,513.0
2140,CC1=[N+]2C(=C(c3ccc(C#N)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,519.0
2140,CC1=[N+]2C(=C(c3ccc(C#N)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,519.0
11170,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,C1CCCCC1,500.5
11170,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,CC#N,496.5
11170,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,CCO,497.5
5855,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1,CCOC(C)=O,575.0
5855,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1,CO,574.0
5855,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1,ClCCl,579.0
5855,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1,CC#N,574.0
5855,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1,CCCCCC,577.0
5856,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1SC#N,CC#N,536.0
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCCCC1,508.0
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCOC1,506.0
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,503.0
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC(=O)C(C)(C)C,505.0
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC(C)=O,504.0
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCCCCC,507.0
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCOC(C)=O,504.5
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CO,503.5
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,509.0
2148,CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,509.0
5856,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1SC#N,CCOC(C)=O,545.0
5856,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1SC#N,CO,536.0
5856,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1SC#N,ClCCl,545.0
5858,CCCSc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,CC#N,538.0
5858,CCCSc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,CCCCCC,555.0
5858,CCCSc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,CCOC(C)=O,549.0
5858,CCCSc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,CO,544.0
5858,CCCSc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,ClCCl,552.0
5859,CCCSc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,CC#N,531.0
5859,CCCSc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,CCCCCC,536.0
5859,CCCSc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,CCOC(C)=O,534.0
5859,CCCSc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,CO,536.0
5859,CCCSc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,ClCCl,537.0
9427,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,Cc1ccccc1,504.0
9430,COc1ccc(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,536.0
2158,CC1=[N+]2C(=C(c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCCCC1,512.0
2158,CC1=[N+]2C(=C(c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCOC1,510.0
2158,CC1=[N+]2C(=C(c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,507.0
2158,CC1=[N+]2C(=C(c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCOC(C)=O,508.0
2158,CC1=[N+]2C(=C(c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1,CO,508.0
2158,CC1=[N+]2C(=C(c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,513.0
2158,CC1=[N+]2C(=C(c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,513.0
8797,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(C)c(I)c(C)c32)c1,CS(C)=O,538.0
3085,CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C(=O)OCCCCCCCCCCCCCCCCCC)cn3[B-](F)(F)[N+]2=C1,ClCCl,578.0
3086,CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cccn3[B-](F)(F)[N+]2=C1,ClCCl,538.0
9435,COc1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,C1CCCCC1,510.0
9435,COc1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,C1CCOC1,508.0
11170,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,CCOC(C)=O,497.0
9435,COc1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,CC#N,505.0
11170,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,CO,496.0
9435,COc1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,CCOC(C)=O,507.0
5910,CCN(C)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,CO,500.0
11170,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,499.0
9435,COc1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,CO,506.0
2435,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C(=O)Cl)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,C1CCOC1,528.0
2435,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C(=O)Cl)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,524.0
2435,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C(=O)Cl)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,529.0
2435,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C(=O)Cl)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,531.0
2435,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C(=O)Cl)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClC(Cl)Cl,532.0
9435,COc1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,Cc1ccccc1,512.0
11170,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,OCC(F)(F)F,493.0
9435,COc1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,ClC(Cl)Cl,511.0
9836,COc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,CC#N,474.0
9836,COc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,CCCCCC,517.0
9836,COc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,CCOC(C)=O,506.0
9836,COc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,CO,480.0
9836,COc1ccc2n1[B-](F)(F)[N+]1=C(SC#N)C=CC1=C2c1ccccc1,ClCCl,508.0
8118,COC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C(=O)OC)cn3[B-](F)(F)[N+]2=C1,ClCCl,577.0
5913,CCN(CC)C1=[N+]2C(=C(c3ccc(C)cc3)c3cccn3[B-]2(F)F)C=C1,ClCCl,473.0
9437,COc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,498.0
9838,COc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,CC#N,493.0
9838,COc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,CCCCCC,499.0
2443,CCC1=C(C)C2=C(c3ccc(C(=O)O)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,528.0
9838,COc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,CCOC(C)=O,495.0
9838,COc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,CO,495.0
9838,COc1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,ClCCl,499.0
8575,CO[B-]1(OC)n2c(C)cc(C)c2C(c2ccc(I)cc2)=C2C(C)=CC(C)=[N+]21,ClC(Cl)Cl,505.0
6869,CCOCCOCCOC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C(=O)OCCOCCOCC)cn3[B-](F)(F)[N+]2=C1,ClCCl,577.0
6870,CCOCCOCCOC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cccn3[B-](F)(F)[N+]2=C1,ClCCl,536.0
6875,CCO[B-]1(OCC)n2c(C)cc(C)c2C(c2ccc(I)cc2)=C2C(C)=CC(C)=[N+]21,ClC(Cl)Cl,505.0
9906,COc1cccc(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3cccc32)c1,ClCCl,539.0
10721,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3cc(/C=C/C(=O)OC(C)(C)C)cc32)c(C)c1,ClCCl,580.0
10722,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3cccc32)c(C)c1,ClCCl,538.0
9919,COc1cccc(OC)c1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,C1CCOC1,506.0
3554,CCCCCCCCOc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,ClCCl,500.0
9919,COc1cccc(OC)c1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CC#N,500.0
9919,COc1cccc(OC)c1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CC(=O)C(C)(C)C,505.0
6523,CCOC(=O)/C=C/C1=[N+]2C(=C(c3c(C)cc(C)cc3C)c3ccc(/C=C/C(=O)OCC)n3[B-]2(F)F)C=C1,ClCCl,593.0
9919,COc1cccc(OC)c1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CC(C)=O,503.0
9919,COc1cccc(OC)c1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CCCCCC,507.0
9919,COc1cccc(OC)c1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CCOC(C)=O,504.0
9919,COc1cccc(OC)c1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CO,503.0
2047,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,514.0
2047,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CC#N,510.0
2047,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,513.0
2047,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,512.0
2047,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CO,511.0
2048,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,514.0
2048,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CC#N,510.0
2048,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,514.0
2048,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,512.0
2048,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CO,511.0
2049,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,515.0
2049,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CC#N,509.0
2049,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,514.0
2049,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,512.0
2049,CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CO,512.0
8119,COC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cccn3[B-](F)(F)[N+]2=C1,ClCCl,537.0
8120,COC(=O)/C=C/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C=C/C(=O)OC)cn3[B-](F)(F)[N+]2=C1,ClCCl,633.0
8121,COC(=O)/C=C/C=C/C1=[N+]2C(=C(c3c(C)cc(C)cc3C)c3ccc(/C=C/C=C/C(=O)OC)n3[B-]2(F)F)C=C1,ClCCl,641.0
6539,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(C(C(=O)OCC)C(=O)OCC)n3[B-]2(F)F)C=C1,C1CCCCC1,515.0
6539,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(C(C(=O)OCC)C(=O)OCC)n3[B-]2(F)F)C=C1,C1CCOC1,512.0
6539,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(C(C(=O)OCC)C(=O)OCC)n3[B-]2(F)F)C=C1,CCOC(C)=O,510.0
6539,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(C(C(=O)OCC)C(=O)OCC)n3[B-]2(F)F)C=C1,CO,509.0
6539,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(C(C(=O)OCC)C(=O)OCC)n3[B-]2(F)F)C=C1,Cc1ccccc1,514.0
6539,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(C(C(=O)OCC)C(=O)OCC)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,513.0
6540,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,C1CCCCC1,514.0
6540,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,C1CCOC1,511.0
6540,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,CCOC(C)=O,509.0
6540,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,CO,508.0
6540,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,Cc1ccccc1,515.0
6540,CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,513.0
6940,CC[C@H](C)COc1ccc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(C)c(I)c(C)c32)cc1,ClCCl,532.0
6942,CC[C@H](C)COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,ClCCl,501.0
12096,F[B-]1(F)n2c(cc(Br)c2Br)C(c2ccccc2)=C2C=C(Br)C(Br)=[N+]21,ClC(Cl)Cl,558.0
8378,COC(=O)c1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,C1CCCCC1,515.0
8378,COC(=O)c1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,C1CCOC1,514.0
8378,COC(=O)c1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,CC#N,511.0
8378,COC(=O)c1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,CCOC(C)=O,512.0
2057,CC1=CC(C)=[N+]2C1=C(c1ccc(C(=O)O)cc1)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,503.0
8378,COC(=O)c1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,CO,511.0
8378,COC(=O)c1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,Cc1ccccc1,517.0
2060,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,504.0
2061,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(O)O,ClC(Cl)Cl,504.0
2062,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(OC(C)C)OC(C)C,ClC(Cl)Cl,504.0
6257,CCN(CC)c1ccc2n1[B-](F)(F)[N+]1=CC(/C=C/C(=O)OC(C)(C)C)=CC1=C2c1c(C)cc(C)cc1C,ClCCl,478.0
6258,CCN(CC)c1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1ccc(C)cc1,ClCCl,473.0
8378,COC(=O)c1ccc(C2=C3C=CC(C)=[N+]3[B-](F)(F)n3c(C)ccc32)cc1,ClC(Cl)Cl,517.0
2071,CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,499.0
2071,CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC#N,496.0
2071,CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC(=O)C(C)(C)C,496.0
2071,CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC(C)=O,496.0
2071,CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,500.0
2071,CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,498.0
6015,CCN(CC)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,CO,500.0
9971,COc1ccccc1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CO,500.0
9971,COc1ccccc1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,C1CCOC1,503.0
9971,COc1ccccc1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CC#N,499.0
9971,COc1ccccc1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CC(=O)C(C)(C)C,502.0
9971,COc1ccccc1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CC(C)=O,501.0
9971,COc1ccccc1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CCCCCC,504.0
9971,COc1ccccc1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CCOC(C)=O,502.0
11137,Cc1ccc(C2=C3C=CC(Cl)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1CCCCC1,514.0
11137,Cc1ccc(C2=C3C=CC(Cl)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1CCOC1,511.0
11137,Cc1ccc(C2=C3C=CC(Cl)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CC#N,508.0
11137,Cc1ccc(C2=C3C=CC(Cl)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CCOC(C)=O,509.0
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,500.0
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,CC#N,497.0
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,CC(=O)C(C)(C)C,499.0
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,CC(C)=O,498.0
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,501.0
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,498.0
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,CO,497.75
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,Cc1ccccc1,504.0
2081,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,501.0
11137,Cc1ccc(C2=C3C=CC(Cl)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CO,508.0
11137,Cc1ccc(C2=C3C=CC(Cl)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,Cc1ccccc1,516.0
5856,CCCSC1=[N+]2C(=C(c3ccccc3)c3ccc(SCCC)n3[B-]2(F)F)C=C1SC#N,CCCCCC,556.0
11137,Cc1ccc(C2=C3C=CC(Cl)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,ClC(Cl)Cl,515.0
12137,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC=[N+]21,Cc1ccccc1,503.0
12137,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC=[N+]21,ClCCl,500.0
4149,CCCCCCOC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C(=O)OCCCCCC)cn3[B-](F)(F)[N+]2=C1,ClCCl,579.0
10805,Cc1cc(N(C)C)ccc1-c1ccc(C=O)cc1,CC#N,356.0
10805,Cc1cc(N(C)C)ccc1-c1ccc(C=O)cc1,CCCCCC,356.0
10805,Cc1cc(N(C)C)ccc1-c1ccc(C=O)cc1,CN(C)C=O,356.0
10805,Cc1cc(N(C)C)ccc1-c1ccc(C=O)cc1,CO,356.0
10805,Cc1cc(N(C)C)ccc1-c1ccc(C=O)cc1,Cc1ccccc1,356.0
10805,Cc1cc(N(C)C)ccc1-c1ccc(C=O)cc1,ClCCl,356.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,C1CCCCC1,302.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,C1CCOC1,319.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,C1COCCO1,315.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,CC#N,310.0
9045,COc1ccc(-c2ccc(OC)cc2)cc1,C1CCCCC1,271.8129927
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,C1CCCCC1,325.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,C1CCOC1,334.0
9066,COc1ccc(-c2ccccc2)cc1,C1CCCCC1,265.8160553
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,C1COCCO1,330.0
11510,Cc1cccc(-c2cccc(C)c2)c1,C1CCCCC1,260.2811036
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,CC#N,333.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,CC(C)=O,328.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,CS(C)=O,340.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,CO,333.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,Cc1ccccc1,329.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,331.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,CCOC(C)=O,330.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,CN(C)C=O,339.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,ClCCl,336.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,C1CCOC1,306.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,C1COCCO1,289.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,CC#N,286.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,CC(C)=O,285.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,CCCCCC,279.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,CCOC(C)=O,285.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,CN(C)C=O,299.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,CO,281.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,CS(C)=O,292.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,Cc1ccccc1,295.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,ClC(Cl)Cl,305.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,ClCCl,286.0
13320,Nc1ccc(-c2ccc(N)cc2)cc1,O,281.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,CCOC(C)=O,315.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,CN(C)C=O,314.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,CO,308.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,CS(C)=O,318.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,Cc1ccccc1,310.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,ClC(Cl)Cl,305.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,ClCCl,307.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,O,298.0
14747,[C-]#[N+]c1ccc(-c2ccc(N)cc2)cc1,c1ccncc1,325.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,C1CCCCC1,316.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,C1CCOC1,331.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,C1COCCO1,326.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,CC#N,324.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,CC(C)=O,325.3333333333333
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,CCCCCC,313.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,CCOC(C)=O,326.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,CN(C)C=O,335.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,CO,327.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,CS(C)=O,338.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,Cc1ccccc1,323.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,ClC(Cl)Cl,322.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,ClCCl,322.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,O,305.0
14748,[C-]#[N+]c1ccc(-c2ccc(NC)cc2)cc1,c1ccncc1,336.0
11577,Cc1ccccc1-c1ccccc1C,C1CCCCC1,260.0780234
7331,CN(C)c1ccc(-c2ccc(C=O)cc2)cc1,C1CCOC1,368.0
7331,CN(C)c1ccc(-c2ccc(C=O)cc2)cc1,CC#N,368.0
7331,CN(C)c1ccc(-c2ccc(C=O)cc2)cc1,CCCCCC,368.0
7331,CN(C)c1ccc(-c2ccc(C=O)cc2)cc1,CN(C)C=O,368.0
7331,CN(C)c1ccc(-c2ccc(C=O)cc2)cc1,CO,368.0
7331,CN(C)c1ccc(-c2ccc(C=O)cc2)cc1,Cc1ccccc1,368.0
7331,CN(C)c1ccc(-c2ccc(C=O)cc2)cc1,ClCCl,368.0
15009,c1ccc(-c2ccccc2)cc1,C1COCCO1,246.0
10964,Cc1ccc(-c2ccccc2)cc1,C1CCCCC1,257.4002574
1022,CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1,C1CCCCC1,256.0
6524,CCOC(=O)/C=C/c1cc(-c2ccc(N(C)C)c(/C=C/C(=O)OCC)c2)ccc1N(C)C,ClCCl,367.0
6527,CCOC(=O)/C=C/c1ccc(-c2ccc(/C=C/C(=O)OCC)c(N(C)C)c2)cc1N(C)C,ClCCl,384.0
10800,Cc1cc(C=O)cc(C)c1-c1ccc(N(C)C)cc1,CC1CCCO1,338.0
10800,Cc1cc(C=O)cc(C)c1-c1ccc(N(C)C)cc1,CCCCCC,338.0
10800,Cc1cc(C=O)cc(C)c1-c1ccc(N(C)C)cc1,CCOC(C)=O,338.0
10800,Cc1cc(C=O)cc(C)c1-c1ccc(N(C)C)cc1,CCOCC,338.0
10800,Cc1cc(C=O)cc(C)c1-c1ccc(N(C)C)cc1,Cc1ccccc1,338.0
10800,Cc1cc(C=O)cc(C)c1-c1ccc(N(C)C)cc1,ClC(Cl)Cl,338.0
10800,Cc1cc(C=O)cc(C)c1-c1ccc(N(C)C)cc1,ClCCl,338.0
10801,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1,C1CCOC1,350.0
10801,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1,CC#N,350.0
10801,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1,CCCCCC,350.0
10801,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1,CN(C)C=O,350.0
10801,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1,CO,350.0
10801,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1,Cc1ccccc1,350.0
10801,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1,ClCCl,350.0
10802,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1C,CC1CCCO1,339.0
10802,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1C,CCCCCC,339.0
10802,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1C,CCOC(C)=O,339.0
10802,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1C,CCOCC,339.0
10802,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1C,Cc1ccccc1,339.0
10802,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1C,ClC(Cl)Cl,339.0
10802,Cc1cc(C=O)ccc1-c1ccc(N(C)C)cc1C,ClCCl,339.0
10803,Cc1cc(N(C)C)cc(C)c1-c1ccc(C=O)cc1,CC1CCCO1,344.0
10803,Cc1cc(N(C)C)cc(C)c1-c1ccc(C=O)cc1,CCCCCC,344.0
10803,Cc1cc(N(C)C)cc(C)c1-c1ccc(C=O)cc1,CCOC(C)=O,344.0
10803,Cc1cc(N(C)C)cc(C)c1-c1ccc(C=O)cc1,CCOCC,344.0
10803,Cc1cc(N(C)C)cc(C)c1-c1ccc(C=O)cc1,Cc1ccccc1,344.0
10803,Cc1cc(N(C)C)cc(C)c1-c1ccc(C=O)cc1,ClC(Cl)Cl,344.0
10803,Cc1cc(N(C)C)cc(C)c1-c1ccc(C=O)cc1,ClCCl,344.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,O,315.0
14746,[C-]#[N+]c1ccc(-c2ccc(N(C)C)cc2)cc1,c1ccncc1,340.0
10805,Cc1cc(N(C)C)ccc1-c1ccc(C=O)cc1,C1CCOC1,356.0
13517,O=C(O)/C=C/c1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1,CC#N,374.0
13519,O=C(O)/C=C/c1ccc2c(c1)c1ccccc1n2-c1ccccc1,CC#N,396.0
13524,O=C(O)/C=C\c1ccc2c(c1)c1ccccc1n2-c1ccccc1,CC#N,386.0
12594,N#C/C(=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1)C(=O)O,CC#N,389.0
1231,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=C(C#N)C(=O)O)cc1,C1CCOC1,347.0
1231,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=C(C#N)C(=O)O)cc1,CC#N,381.0
12595,N#C/C(=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1)C(=O)O,CC#N,394.0
12597,N#C/C(=C\c1ccc2c(c1)c1ccccc1n2-c1ccccc1)C(=O)O,CC#N,408.0
7389,CN(C)c1ccc(-n2c3ccccc3c3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,CC#N,425.0
7390,CN(C)c1ccc(-n2c3ccccc3c3cc(/C=C/C(=O)O)ccc32)cc1,CC#N,413.0
12503,N#C/C(=C\c1ccc(-n2c3ccccc3c3ccccc32)cc1)C(=O)O,CC#N,374.0
12287,N#C/C(=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)C(=O)O,ClCCl,401.0
12736,N#CC(=Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)C(=O)O,C1CCOC1,340.0
12736,N#CC(=Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)C(=O)O,CC#N,374.0
12736,N#CC(=Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)C(=O)O,ClC(Cl)Cl,388.0
12311,N#C/C(=C/c1ccc2c(c1)c1ccccc1n2-c1ccccc1)C(=O)O,CC#N,395.0
6514,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,C1CCOC1,390.0
6514,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CC#N,389.0
6514,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CC(C)=O,388.0
6514,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CCOC(C)=O,400.0
6514,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CO,391.0
6514,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CS(C)=O,397.0
6514,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,Cc1ccccc1,396.0
6514,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,ClC(Cl)Cl,389.0
6515,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,C1CCOC1,393.0
6515,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CC#N,391.0
6515,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CC(C)=O,391.0
6515,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CCOC(C)=O,391.0
6515,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CO,393.0
6515,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CS(C)=O,399.0
6515,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,Cc1ccccc1,396.0
6515,CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,ClC(Cl)Cl,401.0
13111,N#Cc1ccc(-n2c3ccccc3c3cc(/C=C/C(=O)O)ccc32)cc1,CC#N,379.0
9201,COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CO,409.0
9201,COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CS(C)=O,405.0
9201,COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,Cc1ccccc1,407.0
9201,COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,ClC(Cl)Cl,412.0
9201,COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,C1CCOC1,404.0
9201,COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CC#N,403.0
9201,COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CC(C)=O,403.0
9201,COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CCOC(C)=O,402.0
11021,Cc1ccc(-n2c3ccccc3c3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,CC#N,411.0
11022,Cc1ccc(-n2c3ccccc3c3cc(/C=C/C(=O)O)ccc32)cc1,CC#N,400.0
1212,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(/C=C(\C#N)C(=O)O)cc1,CC#N,406.0
11024,Cc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,C1CCOC1,407.0
11024,Cc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CC#N,402.0
11024,Cc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CC(C)=O,402.0
11024,Cc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CCOC(C)=O,400.0
11024,Cc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CO,402.0
11024,Cc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CS(C)=O,407.0
11024,Cc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,Cc1ccccc1,406.0
11024,Cc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,ClC(Cl)Cl,413.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,CCO,454.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,CN(C)C=O,464.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,CO,457.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,CS(C)=O,467.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,Cc1ccccc1,451.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,ClC(Cl)Cl,459.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,OCCO,464.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,C1CCOC1,450.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CC#N,455.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CC(O)CO,462.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CCCCCC,439.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CCCO,456.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CCO,452.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CN(C)C=O,458.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CO,456.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CS(C)=O,460.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,Cc1ccccc1,447.0
1410,CC(C)[Si](C#Cc1c2ccc(C(C)(C)C)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccc(C(C)(C)C)cc12)(C(C)C)C(C)C,Cc1ccccc1,440.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,ClC(Cl)Cl,458.0
3930,CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,OCCO,464.0
13744,O=C(O)c1ccc(C(=O)O)c2cc3ccccc3cc12,CN(C)C=O,390.0
13744,O=C(O)c1ccc(C(=O)O)c2cc3ccccc3cc12,C1CCOC1,396.0
7271,CN(C)CCNCc1c2ccccc2cc2ccccc12,CN(C)C=O,363.0
7271,CN(C)CCNCc1c2ccccc2cc2ccccc12,CO,364.0
7271,CN(C)CCNCc1c2ccccc2cc2ccccc12,ClC(Cl)Cl,367.0
7271,CN(C)CCNCc1c2ccccc2cc2ccccc12,C1CCCCC1,368.0
7271,CN(C)CCNCc1c2ccccc2cc2ccccc12,C1CCOC1,366.0
7271,CN(C)CCNCc1c2ccccc2cc2ccccc12,CC#N,365.0
7271,CN(C)CCNCc1c2ccccc2cc2ccccc12,CC(C)=O,365.0
7271,CN(C)CCNCc1c2ccccc2cc2ccccc12,CCO,366.0
13761,O=C(O)c1ccc2cc3cc(C(=O)O)ccc3cc2c1,C1CCOC1,409.0
13761,O=C(O)c1ccc2cc3cc(C(=O)O)ccc3cc2c1,CN(C)C=O,409.0
15505,c1ccc2cc3ccccc3cc2c1,C1CCOC1,358.0
15505,c1ccc2cc3ccccc3cc2c1,CO,355.0
13424,Nc1cccc2cc3ccccc3cc12,C1CCCCC1,384.1721091
7279,CN(C)c1c2ccccc2cc2ccccc12,C1CCCCC1,386.0
7279,CN(C)c1c2ccccc2cc2ccccc12,C1CCOC1,386.0
7279,CN(C)c1c2ccccc2cc2ccccc12,C1COCCO1,387.0
7279,CN(C)c1c2ccccc2cc2ccccc12,CC#N,386.0
7279,CN(C)c1c2ccccc2cc2ccccc12,CCO,385.0
7279,CN(C)c1c2ccccc2cc2ccccc12,CN(C)C=O,388.0
7279,CN(C)c1c2ccccc2cc2ccccc12,CO,384.0
7279,CN(C)c1c2ccccc2cc2ccccc12,COCCOC,386.0
7279,CN(C)c1c2ccccc2cc2ccccc12,CS(C)=O,390.0
7279,CN(C)c1c2ccccc2cc2ccccc12,O,385.0
7279,CN(C)c1c2ccccc2cc2ccccc12,OCC(O)CO,393.0
7279,CN(C)c1c2ccccc2cc2ccccc12,OCCO,388.0
10142,C[NH+](C)c1c2ccccc2cc2ccccc12,O,389.0
13667,O=C(O)c1c2ccccc2c(C(=O)O)c2ccccc12,C1CCOC1,387.0
13667,O=C(O)c1c2ccccc2c(C(=O)O)c2ccccc12,CN(C)C=O,389.0
13800,O=C([O-])c1c2ccccc2c(C(=O)[O-])c2ccccc12,CN(C)C=O,400.0
13804,O=C([O-])c1ccc(C(=O)[O-])c2cc3ccccc3cc12,CN(C)C=O,396.0
13807,O=C([O-])c1ccc2cc3cc(C(=O)[O-])ccc3cc2c1,CN(C)C=O,392.0
10170,C[Si](C)(C)[Si](C)(C)c1ccc2cc3ccccc3cc2c1,C1CCCCC1,382.6833157
2954,CCCCCCCCC(=O)c1ccc2cc3cc(N(C)C)ccc3cc2c1,CC#N,441.0
2954,CCCCCCCCC(=O)c1ccc2cc3cc(N(C)C)ccc3cc2c1,CCCCCC,428.0
2954,CCCCCCCCC(=O)c1ccc2cc3cc(N(C)C)ccc3cc2c1,CCO,443.0
2954,CCCCCCCCC(=O)c1ccc2cc3cc(N(C)C)ccc3cc2c1,ClC(Cl)Cl,443.0
2954,CCCCCCCCC(=O)c1ccc2cc3cc(N(C)C)ccc3cc2c1,c1ccccc1,438.0
13407,Nc1ccc2cc3ccccc3cc2c1,C1CCCCC1,397.6143141
13588,O=C(O)CCc1c2ccccc2cc2ccccc12,CO,366.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,C1CCOC1,455.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,CC#N,460.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,CC(O)CO,462.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,CCCCCC,445.0
3929,CCCCCCN(CCCCCC)c1ccc2cc3cc(C#N)ccc3cc2c1,CCCO,456.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,C1CCOC1,407.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,CC#N,421.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,CCCCO,424.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,CCCO,423.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,CCO,424.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,CCOC(C)=O,403.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,CN(C)C=O,421.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,CO,424.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,CS(C)=O,424.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,Cc1ccccc1,404.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,ClC(Cl)(Cl)Cl,395.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,ClCCl,403.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,O,404.0
1698,CC1(C)Nc2cc(Cl)ccc2-c2[nH]c3ccccc3c(=O)c21,c1ccccc1,404.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CCCCO,416.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CCCO,414.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CCO,414.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CCOC(C)=O,404.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CN(C)C=O,410.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CO,412.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CS(C)=O,414.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,Cc1ccccc1,400.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,ClC(Cl)(Cl)Cl,402.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,ClCCl,402.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,O,382.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,c1ccccc1,402.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,C1CCOC1,406.0
1702,CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CC#N,402.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,C1CCOC1,411.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,CC#N,421.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,CCCCO,426.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,CCCO,426.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,CCO,426.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,CCOC(C)=O,417.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,CN(C)C=O,425.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,CO,428.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,CS(C)=O,426.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,Cc1ccccc1,405.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,ClC(Cl)(Cl)Cl,419.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,ClCCl,408.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,O,405.0
9685,COc1ccc2c(=O)c3c([nH]c2c1)-c1cc(Cl)ccc1NC3(C)C,c1ccccc1,420.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,C1CCOC1,404.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,CC#N,415.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,CCCCO,424.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,CCCO,421.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,CCO,424.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,CCOC(C)=O,395.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,CN(C)C=O,421.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,CO,424.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,CS(C)=O,424.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,Cc1ccccc1,397.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,ClC(Cl)(Cl)Cl,404.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,ClCCl,403.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,O,383.0
9686,COc1ccc2c(=O)c3c([nH]c2c1)-c1ccccc1NC3(C)C,c1ccccc1,402.0
3278,CCCCCCCCCCCn1cccc1C1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)c2ccccc21,C1CCOC1,584.0
3278,CCCCCCCCCCCn1cccc1C1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)c2ccccc21,CC#N,577.0
3278,CCCCCCCCCCCn1cccc1C1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)c2ccccc21,CCCCCC,583.0
3278,CCCCCCCCCCCn1cccc1C1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)c2ccccc21,CO,579.0
3278,CCCCCCCCCCCn1cccc1C1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)c2ccccc21,Cc1ccccc1,590.0
3278,CCCCCCCCCCCn1cccc1C1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)c2ccccc21,ClCCl,584.0
7046,CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,C1CCOC1,618.0
7046,CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CC#N,610.0
7046,CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CCCCCC,620.0
7046,CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CO,613.0
7046,CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,Cc1ccccc1,625.0
7046,CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,ClCCl,619.0
7048,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,C1CCOC1,629.0
7048,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CC#N,620.0
7048,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CCCCCC,629.0
7048,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CO,623.0
7048,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,Cc1ccccc1,636.0
7048,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,ClCCl,629.0
7049,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,C1CCOC1,615.0
7049,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,CC#N,607.0
7049,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,CCCCCC,616.0
7049,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,CO,610.0
7049,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,Cc1ccccc1,623.0
7049,CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,ClCCl,616.0
7054,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,C1CCOC1,613.0
7054,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,CC#N,608.0
7054,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,CCCCCC,614.0
7054,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,CO,609.0
7054,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,Cc1ccccc1,620.0
7054,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,ClCCl,616.0
7055,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2C,C1CCOC1,604.0
7055,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2C,CC#N,597.0
7055,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2C,CCCCCC,604.0
7055,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2C,CO,599.0
7055,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2C,Cc1ccccc1,609.0
7055,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2C,ClCCl,605.0
11178,Cc1ccc(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,C1CCOC1,607.0
11178,Cc1ccc(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CC#N,600.0
11178,Cc1ccc(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CCCCCC,607.0
11178,Cc1ccc(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CO,602.0
11178,Cc1ccc(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,Cc1ccccc1,612.0
11178,Cc1ccc(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,ClCCl,608.0
11179,Cc1ccc(C2=[N+]3C(=Cc4ccc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,C1CCOC1,599.0
11179,Cc1ccc(C2=[N+]3C(=Cc4ccc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CC#N,592.0
11179,Cc1ccc(C2=[N+]3C(=Cc4ccc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CCCCCC,602.0
11179,Cc1ccc(C2=[N+]3C(=Cc4ccc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CO,595.0
11179,Cc1ccc(C2=[N+]3C(=Cc4ccc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,Cc1ccccc1,606.0
11179,Cc1ccc(C2=[N+]3C(=Cc4ccc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,ClCCl,600.0
1971,CC1=C2c3ccccc3C(c3[nH]c(C)cc3C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,C1CCOC1,599.0
1971,CC1=C2c3ccccc3C(c3[nH]c(C)cc3C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CC#N,590.0
1971,CC1=C2c3ccccc3C(c3[nH]c(C)cc3C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CCCCCC,601.0
1971,CC1=C2c3ccccc3C(c3[nH]c(C)cc3C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,CO,593.0
1971,CC1=C2c3ccccc3C(c3[nH]c(C)cc3C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,Cc1ccccc1,605.0
1971,CC1=C2c3ccccc3C(c3[nH]c(C)cc3C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21,ClCCl,599.0
1972,CC1=C2c3ccccc3C(c3ccc[nH]3)=[N+]2[B-](F)(F)n2cccc21,C1CCOC1,564.0
1972,CC1=C2c3ccccc3C(c3ccc[nH]3)=[N+]2[B-](F)(F)n2cccc21,CC#N,555.0
1972,CC1=C2c3ccccc3C(c3ccc[nH]3)=[N+]2[B-](F)(F)n2cccc21,CCCCCC,566.0
1972,CC1=C2c3ccccc3C(c3ccc[nH]3)=[N+]2[B-](F)(F)n2cccc21,CO,558.0
1972,CC1=C2c3ccccc3C(c3ccc[nH]3)=[N+]2[B-](F)(F)n2cccc21,Cc1ccccc1,570.0
1972,CC1=C2c3ccccc3C(c3ccc[nH]3)=[N+]2[B-](F)(F)n2cccc21,ClCCl,563.0
10741,Cc1cc(C)c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,C1CCOC1,609.0
10741,Cc1cc(C)c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CC#N,601.0
10741,Cc1cc(C)c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CCCCCC,610.0
10741,Cc1cc(C)c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,CO,603.0
10741,Cc1cc(C)c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,Cc1ccccc1,616.0
10741,Cc1cc(C)c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)[nH]1,ClCCl,609.0
10787,Cc1cc(C)n2c1C=C1c3ccccc3C(c3ccc[nH]3)=[N+]1[B-]2(F)F,C1CCOC1,599.0
10787,Cc1cc(C)n2c1C=C1c3ccccc3C(c3ccc[nH]3)=[N+]1[B-]2(F)F,CC#N,594.0
10787,Cc1cc(C)n2c1C=C1c3ccccc3C(c3ccc[nH]3)=[N+]1[B-]2(F)F,CCCCCC,601.0
10787,Cc1cc(C)n2c1C=C1c3ccccc3C(c3ccc[nH]3)=[N+]1[B-]2(F)F,CO,595.0
10787,Cc1cc(C)n2c1C=C1c3ccccc3C(c3ccc[nH]3)=[N+]1[B-]2(F)F,Cc1ccccc1,606.0
10787,Cc1cc(C)n2c1C=C1c3ccccc3C(c3ccc[nH]3)=[N+]1[B-]2(F)F,ClCCl,602.0
10788,Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,C1CCOC1,585.0
10788,Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,CC#N,580.0
10788,Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,CCCCCC,586.0
10788,Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,CO,581.0
10788,Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,Cc1ccccc1,591.0
10788,Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,ClCCl,585.0
12143,F[B-]1(F)n2cccc2C=C2c3ccccc3C(c3ccc[nH]3)=[N+]21,C1CCOC1,571.0
12143,F[B-]1(F)n2cccc2C=C2c3ccccc3C(c3ccc[nH]3)=[N+]21,CC#N,561.0
12143,F[B-]1(F)n2cccc2C=C2c3ccccc3C(c3ccc[nH]3)=[N+]21,CCCCCC,574.0
12143,F[B-]1(F)n2cccc2C=C2c3ccccc3C(c3ccc[nH]3)=[N+]21,CO,565.0
12143,F[B-]1(F)n2cccc2C=C2c3ccccc3C(c3ccc[nH]3)=[N+]21,Cc1ccccc1,577.0
12143,F[B-]1(F)n2cccc2C=C2c3ccccc3C(c3ccc[nH]3)=[N+]21,ClCCl,570.0
3974,CCCCCCN1C(=O)c2cccc3c(-c4cc(F)c(C=O)c(F)c4)ccc(c23)C1=O,CN(C)C=O,349.0
3975,CCCCCCN1C(=O)c2cccc3c(-c4cc(F)cc(F)c4)ccc(c23)C1=O,CN(C)C=O,347.0
2861,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4cc(OC)c(OC)c(OC)c4)ccc(c23)C1=O,CCCCCC,354.8
2861,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4cc(OC)c(OC)c(OC)c4)ccc(c23)C1=O,CCCCCCCCCCCCCC,357.0
2861,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4cc(OC)c(OC)c(OC)c4)ccc(c23)C1=O,CCCCCCCCCCCO,362.6
2861,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4cc(OC)c(OC)c(OC)c4)ccc(c23)C1=O,CCCCO,361.4
2861,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4cc(OC)c(OC)c(OC)c4)ccc(c23)C1=O,CN(C)C=O,365.6
2861,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4cc(OC)c(OC)c(OC)c4)ccc(c23)C1=O,Cc1ccccc1,360.8
2861,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4cc(OC)c(OC)c(OC)c4)ccc(c23)C1=O,ClC(Cl)Cl,362.2
2863,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CCCCCC,355.6
2863,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CCCCCCCCCCCCCC,356.2
2863,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CCCCCCCCCCCO,365.8
2863,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CCCCO,367.8
2863,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CN(C)C=O,367.8
2863,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,Cc1ccccc1,364.6
2863,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,ClC(Cl)Cl,366.4
2864,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(N(C)C)cc4)ccc(c23)C1=O,CCCCCC,401.2
2864,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(N(C)C)cc4)ccc(c23)C1=O,CCCCCCCCCCCCCC,403.8
2864,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(N(C)C)cc4)ccc(c23)C1=O,CCCCCCCCCCCO,428.6
2864,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(N(C)C)cc4)ccc(c23)C1=O,CCCCO,430.2
2864,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(N(C)C)cc4)ccc(c23)C1=O,CN(C)C=O,433.8
2864,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(N(C)C)cc4)ccc(c23)C1=O,Cc1ccccc1,418.2
2864,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(N(C)C)cc4)ccc(c23)C1=O,ClC(Cl)Cl,426.2
3988,CCCCCCN1C(=O)c2cccc3c(-c4ccc(Br)cc4)ccc(c23)C1=O,CN(C)C=O,354.0
3990,CCCCCCN1C(=O)c2cccc3c(-c4ccc(C=O)c(F)c4)ccc(c23)C1=O,CN(C)C=O,348.0
3991,CCCCCCN1C(=O)c2cccc3c(-c4ccc(C=O)c(F)c4F)ccc(c23)C1=O,CN(C)C=O,347.0
3992,CCCCCCN1C(=O)c2cccc3c(-c4ccc(C=O)cc4F)ccc(c23)C1=O,CN(C)C=O,347.0
3993,CCCCCCN1C(=O)c2cccc3c(-c4ccc(Cl)cc4)ccc(c23)C1=O,CN(C)C=O,354.0
3995,CCCCCCN1C(=O)c2cccc3c(-c4ccc(F)cc4)ccc(c23)C1=O,CN(C)C=O,354.0
3998,CCCCCCN1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,CN(C)C=O,353.0
2867,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)cc4)ccc(c23)C1=O,CCCCCC,354.2
2867,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)cc4)ccc(c23)C1=O,CCCCCCCCCCCCCC,356.4
2867,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)cc4)ccc(c23)C1=O,CCCCCCCCCCCO,365.6
2867,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)cc4)ccc(c23)C1=O,CCCCO,366.2
2867,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)cc4)ccc(c23)C1=O,CN(C)C=O,368.0
2867,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)cc4)ccc(c23)C1=O,Cc1ccccc1,364.2
2867,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)cc4)ccc(c23)C1=O,ClC(Cl)Cl,364.8
2868,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc([Si](C)(C)C)cc4)ccc(c23)C1=O,CCCCCC,343.4
2868,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc([Si](C)(C)C)cc4)ccc(c23)C1=O,CCCCCCCCCCCCCC,344.4
2868,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc([Si](C)(C)C)cc4)ccc(c23)C1=O,CCCCCCCCCCCO,355.0
2868,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc([Si](C)(C)C)cc4)ccc(c23)C1=O,CCCCO,357.6
2868,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc([Si](C)(C)C)cc4)ccc(c23)C1=O,CN(C)C=O,356.0
2868,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc([Si](C)(C)C)cc4)ccc(c23)C1=O,Cc1ccccc1,353.4
2868,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc([Si](C)(C)C)cc4)ccc(c23)C1=O,ClC(Cl)Cl,356.0
2869,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,CCCCCC,342.2
2869,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,CCCCCCCCCCCCCC,343.4
2869,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,CCCCCCCCCCCO,353.4
2869,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,CCCCO,355.2
2869,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,CN(C)C=O,355.2
2869,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,Cc1ccccc1,346.8
2869,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,ClC(Cl)Cl,355.4
7430,CN(C)c1ccc(/C=C/c2cc[n+](CCCS(=O)(=O)[O-])cc2)cc1,CO,480.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,C1COCCO1,463.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CC(C)O,485.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCCCO,490.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCCO,487.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCO,484.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CO,479.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CS(C)=O,476.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,496.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,ClCCl,513.0
5861,CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,c1ccccc1,477.0
3091,CCCCCCCCCCCCCCCCN(C)c1ccc(/C=C/c2cc[n+](CCCS(=O)(=O)[O-])cc2)cc1,CO,488.0
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,C1COCCO1,387.4
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CC(C)=O,383.2
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CC(C)O,385.4
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CCCCCC,398.5
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CCCCO,390.5
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CCCO,398.5
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CCO,399.5
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CN(C)C=O,384.4
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CO,400.6
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,CS(C)=O,384.6
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,Cc1ccccc1,393.5
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,ClC(Cl)(Cl)Cl,399.5
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,ClC(Cl)Cl,384.0
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,ClCCl,386.4
3096,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C(\C)c2ccccc2)cc1,c1ccccc1,386.8
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,C1COCCO1,354.0
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CC(C)=O,360.0
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CC(C)O,363.8
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CCCCCC,355.4
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CCCCO,364.8
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CCCO,364.7
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CCO,364.0
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CN(C)C=O,360.6
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CO,360.0
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,CS(C)=O,361.1
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,Cc1ccccc1,363.2
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,ClC(Cl)(Cl)Cl,359.1
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,ClC(Cl)Cl,370.0
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,ClCCl,376.0
3097,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1,c1ccccc1,360.2
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,C1COCCO1,463.0
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CC(C)=O,477.0
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CC(C)O,481.2
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCCCCC,454.6
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCCCO,487.1
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCCO,485.6
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCO,484.9
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CN(C)C=O,475.3
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CO,480.2
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CS(C)=O,479.0
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,Cc1ccccc1,474.8
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,ClC(Cl)(Cl)Cl,467.2
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,493.0
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,ClCCl,515.2
3098,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,c1ccccc1,476.0
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,C1COCCO1,558.2
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CC(C)=O,547.0
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CCO,518.9
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CN(C)C=O,549.1
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CO,503.8
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CS(C)=O,523.4
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,Cc1ccccc1,554.2
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,ClC(Cl)(Cl)Cl,548.4
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,ClC(Cl)Cl,554.2
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,ClCCl,553.8
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,c1ccccc1,553.7
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CC(C)O,520.4
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CCCCCC,530.1
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CCCCO,523.4
3099,CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2O)cc1,CCCO,518.9
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,CC#N,569.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,CC(C)=O,585.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,CC(C)O,544.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,CCCO,523.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,CCO,515.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,CN(C)C=O,580.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,CO,484.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,CS(C)=O,573.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,ClCCl,595.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,NC=O,494.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,O,442.0
10261,C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1,OCCO,474.0
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,C1CCOC1,483.0007873
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,CC#N,469.999906
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,CC(C)=O,471.0005214
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,CC(C)O,476.9991032
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,CC1COC(=O)O1,473.0010974
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,CCO,480.000768
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,CCOC(C)=O,464.0005197
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,CO,475.0000381
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,CS(C)=O,471.0004993
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,ClC(Cl)Cl,500.0
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,ClCCl,522.0
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,O,448.0005734
7425,CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1,c1ccncc1,494.0003656
6289,CCN(CCCN(C)C)c1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
6290,CCN(CCCN(C)C)c1ccc2c(-c3cccc(OC)c3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
6291,CCN(CCCN(C)C)c1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
7642,CN(C)c1ccc2c(-c3ccc(C(C)(C)C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
10037,CSc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1,O,525.0
10038,CSc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1,O,505.0
10040,CSc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(O)ccc23)cc1,O,500.0
7649,CN(C)c1ccc2c(-c3ccc(F)c(Cl)c3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
7651,CN(C)c1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
7664,CN(C)c1ccc2c(-c3cccc(Cl)c3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
7666,CN(C)c1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
7670,CN(C)c1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
13342,Nc1ccc2c(-c3cc(F)c(F)c(F)c3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
13347,Nc1ccc2c(-c3ccc(Br)cc3)c3ccc(=[NH2+])cc-3oc2c1,CCO,514.0
13358,Nc1ccc2c(-c3ccc(F)c(Cl)c3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
13359,Nc1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
7298,CN(C)c1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1,O,525.0
7299,CN(C)c1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1,O,500.0
13369,Nc1ccc2c(-c3cccc(Cl)c3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
13371,Nc1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3oc2c1,O,500.0
13373,Nc1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3oc2c1,O,500.0
13375,Nc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[NH2+])cc-3oc2c1,CC#N,500.0
13376,Nc1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[NH2+])cc-3oc2c1,CC#N,500.0
13376,Nc1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[NH2+])cc-3oc2c1,CCO,499.0
13376,Nc1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[NH2+])cc-3oc2c1,CN(C)C=O,515.0
10899,Cc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1,O,525.0
10900,Cc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1,O,500.0
10902,Cc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(O)ccc23)cc1,O,490.0
5882,CCCc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1,O,525.0
5883,CCCc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(CC)CCCN(C)C)ccc23)cc1,O,525.0
5884,CCCc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1,O,500.0
5886,CCCc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(O)ccc23)cc1,O,495.0
5248,CCCCN(CCCC)c1ccc2c(-c3cc(C)c(OC)c(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
5249,CCCCN(CCCC)c1ccc2c(-c3cc(C)cc(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
5251,CCCCN(CCCC)c1ccc2c(-c3ccc(C(C)(C)C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
5252,CCCCN(CCCC)c1ccc2c(-c3ccc(C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
5253,CCCCN(CCCC)c1ccc2c(-c3ccc(CCC)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
5255,CCCCN(CCCC)c1ccc2c(-c3ccc(F)c(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
5256,CCCCN(CCCC)c1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,540.0
5257,CCCCN(CCCC)c1ccc2c(-c3ccc(N(C)C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
5258,CCCCN(CCCC)c1ccc2c(-c3ccc(OC)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
5260,CCCCN(CCCC)c1ccc2c(-c3ccc(SC)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
6475,CCNc1ccc2c(-c3cc(C)c(OC)c(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
6476,CCNc1ccc2c(-c3cc(C)cc(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,515.0
6478,CCNc1ccc2c(-c3ccc(C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
5266,CCCCN(CCCC)c1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3oc2c1,O,540.0
5267,CCCCN(CCCC)c1ccc2c(-c3cccc(OC)c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
5268,CCCCN(CCCC)c1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
6480,CCNc1ccc2c(-c3ccc(F)c(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,515.0
6481,CCNc1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,515.0
6482,CCNc1ccc2c(-c3ccc(OC)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
6484,CCNc1ccc2c(-c3ccc(SC)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
6486,CCNc1ccc2c(-c3cccc(Cl)c3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6487,CCNc1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3oc2c1,O,520.0
6488,CCNc1ccc2c(-c3cccc(OC)c3)c3ccc(=[NH2+])cc-3oc2c1,O,515.0
6489,CCNc1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
9875,COc1cccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)c1,O,530.0
9876,COc1cccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)c1,O,500.0
9878,COc1cccc(-c2c3ccc(=[NH2+])cc-3oc3cc(O)ccc23)c1,O,500.0
8614,COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1C,O,525.0
8615,COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1C,O,500.0
8617,COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(O)ccc23)cc1C,O,495.0
8938,COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1,O,525.0
8939,COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1OC,O,525.0
8940,COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1,O,500.0
8941,COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1OC,O,500.0
10767,Cc1cc(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)c1,O,525.0
10768,Cc1cc(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)c1,O,500.0
7793,CN(CCCC(=O)[O-])C(=O)c1ccccc1-c1c2ccc(=[NH2+])c(S(=O)(=O)O)c-2oc2c(S(=O)(=O)O)c(N)ccc12,O,500.0
10382,Cc1cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)ccc1F,O,527.5
8409,COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12,CC#N,500.0
8409,COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12,CCO,506.0
8409,COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12,CN(C)C=O,515.0
8409,COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12,O,497.0
10383,Cc1cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)ccc1F,O,502.5
10385,Cc1cc(-c2c3ccc(=[NH2+])cc-3oc3cc(O)ccc23)ccc1F,O,495.0
6275,CCN(CCCN(C)C)c1ccc2c(-c3cc(C)c(OC)c(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6276,CCN(CCCN(C)C)c1ccc2c(-c3cc(C)cc(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6278,CCN(CCCN(C)C)c1ccc2c(-c3ccc(C(C)(C)C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6279,CCN(CCCN(C)C)c1ccc2c(-c3ccc(C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6280,CCN(CCCN(C)C)c1ccc2c(-c3ccc(F)c(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6281,CCN(CCCN(C)C)c1ccc2c(-c3ccc(F)c(Cl)c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
6282,CCN(CCCN(C)C)c1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
6283,CCN(CCCN(C)C)c1ccc2c(-c3ccc(OC)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6285,CCN(CCCN(C)C)c1ccc2c(-c3ccc(SC)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,Cc1ccccc1,406.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,ClC(Cl)Cl,409.0
14109,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,ClCCl,498.0
14109,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,C1COCCO1,483.0
14109,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CC(C)=O,486.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,C1CCOC1,372.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,C1COCCO1,373.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CC#N,373.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CC(C)=O,372.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CCCCCC,371.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CCO,372.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CN(C)C=O,375.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CO,372.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CS(C)=O,376.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,Cc1ccccc1,376.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,ClC(Cl)Cl,376.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,ClCCl,378.0
5423,CCCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,OCC(F)(F)F,363.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,C1CCOC1,432.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CC#N,434.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CCCCCC,425.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CCO,435.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CN(C)C=O,437.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CO,434.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,Cc1ccccc1,434.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,ClC(Cl)Cl,442.0
5591,CCCCc1cc(C=O)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,ClCCl,440.0
14109,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CCCCCC,478.0
14109,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CCOC(C)=O,484.0
14109,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,Cc1ccccc1,491.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,C1CCOC1,372.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,C1COCCO1,373.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CC#N,374.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CC(C)=O,373.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CCCCCC,371.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CCO,372.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CN(C)C=O,374.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CO,371.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CS(C)=O,377.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,Cc1ccccc1,377.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,ClC(Cl)Cl,380.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,ClCCl,381.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,O,360.0
13577,O=C(O)CCCNC(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,OCC(F)(F)F,360.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CC#N,363.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CC(C)=O,361.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CCCCCC,359.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CCO,362.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CN(C)C=O,371.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CO,362.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,CS(C)=O,374.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,Cc1ccccc1,363.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,ClC(Cl)Cl,373.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,ClCCl,372.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,OCC(F)(F)F,357.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,C1CCOC1,360.0
5912,CCN(CC)C(=O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43,C1COCCO1,362.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,ClCCl,407.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,C1CCOC1,405.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CC#N,400.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CCCCCC,400.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CCO,404.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CN(C)C=O,406.0
5589,CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CO,401.0
8453,COC(=O)c1nc2c(N(C)C)nc(N)nc2n1Cc1ccccc1,CO,331.0
8453,COC(=O)c1nc2c(N(C)C)nc(N)nc2n1Cc1ccccc1,ClCCl,330.0
8453,COC(=O)c1nc2c(N(C)C)nc(N)nc2n1Cc1ccccc1,C1COCCO1,334.0
7779,CN(C)c1nc(N(C)C)c2nc(C#N)n(Cc3ccccc3)c2n1,C1COCCO1,345.0
7779,CN(C)c1nc(N(C)C)c2nc(C#N)n(Cc3ccccc3)c2n1,CC#N,344.0
7779,CN(C)c1nc(N(C)C)c2nc(C#N)n(Cc3ccccc3)c2n1,CO,342.0
7779,CN(C)c1nc(N(C)C)c2nc(C#N)n(Cc3ccccc3)c2n1,ClCCl,348.0
5424,CCCCNC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,C1COCCO1,332.0
5424,CCCCNC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,CC#N,333.0
5424,CCCCNC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,CO,335.0
5424,CCCCNC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,ClCCl,338.0
7780,CN(C)c1nc(N)c2nc(C#N)n(Cc3ccccc3)c2n1,C1COCCO1,339.0
7780,CN(C)c1nc(N)c2nc(C#N)n(Cc3ccccc3)c2n1,CC#N,338.0
7780,CN(C)c1nc(N)c2nc(C#N)n(Cc3ccccc3)c2n1,CO,338.0
7781,CN(C)c1nc(N)nc2c1nc(C#N)n2Cc1ccccc1,ClCCl,324.0
7780,CN(C)c1nc(N)c2nc(C#N)n(Cc3ccccc3)c2n1,ClCCl,336.0
7782,CN(C)c1ncc2nc(C#N)n(Cc3ccccc3)c2n1,CC#N,357.0
7782,CN(C)c1ncc2nc(C#N)n(Cc3ccccc3)c2n1,CO,358.0
7781,CN(C)c1nc(N)nc2c1nc(C#N)n2Cc1ccccc1,C1COCCO1,334.0
7781,CN(C)c1nc(N)nc2c1nc(C#N)n2Cc1ccccc1,CO,327.0
7781,CN(C)c1nc(N)nc2c1nc(C#N)n2Cc1ccccc1,CC#N,326.0
7782,CN(C)c1ncc2nc(C#N)n(Cc3ccccc3)c2n1,C1COCCO1,355.0
7782,CN(C)c1ncc2nc(C#N)n(Cc3ccccc3)c2n1,ClCCl,361.0
8454,COC(=O)c1nc2c(N)nc(N(C)C)nc2n1Cc1ccccc1,ClCCl,338.0
8454,COC(=O)c1nc2c(N)nc(N(C)C)nc2n1Cc1ccccc1,CC#N,342.0
8454,COC(=O)c1nc2c(N)nc(N(C)C)nc2n1Cc1ccccc1,CO,345.0
8456,COC(=O)c1nc2cnc(N(C)C)nc2n1Cc1ccccc1,C1COCCO1,358.0
8456,COC(=O)c1nc2cnc(N(C)C)nc2n1Cc1ccccc1,CC#N,359.0
8456,COC(=O)c1nc2cnc(N(C)C)nc2n1Cc1ccccc1,CO,362.0
8456,COC(=O)c1nc2cnc(N(C)C)nc2n1Cc1ccccc1,ClCCl,362.0
8457,COC(=O)c1nc2cnc(N)nc2n1Cc1ccccc1,C1COCCO1,331.0
8457,COC(=O)c1nc2cnc(N)nc2n1Cc1ccccc1,CC#N,330.0
8457,COC(=O)c1nc2cnc(N)nc2n1Cc1ccccc1,CO,335.0
8457,COC(=O)c1nc2cnc(N)nc2n1Cc1ccccc1,ClCCl,328.0
8457,COC(=O)c1nc2cnc(N)nc2n1Cc1ccccc1,O,325.0
13227,N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,C1COCCO1,331.0
13227,N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,CC#N,330.0
13227,N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,CO,333.0
13227,N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,ClCCl,326.0
13227,N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,O,331.0
8095,CNc1ncc2nc(C#N)n(Cc3ccccc3)c2n1,C1COCCO1,342.0
8095,CNc1ncc2nc(C#N)n(Cc3ccccc3)c2n1,CC#N,342.0
8095,CNc1ncc2nc(C#N)n(Cc3ccccc3)c2n1,CO,342.0
8095,CNc1ncc2nc(C#N)n(Cc3ccccc3)c2n1,ClCCl,341.0
8096,CNc1ncc2nc(C(=O)OC)n(Cc3ccccc3)c2n1,C1COCCO1,345.0
8096,CNc1ncc2nc(C(=O)OC)n(Cc3ccccc3)c2n1,CC#N,345.0
8096,CNc1ncc2nc(C(=O)OC)n(Cc3ccccc3)c2n1,CO,345.0
8096,CNc1ncc2nc(C(=O)OC)n(Cc3ccccc3)c2n1,ClCCl,345.0
8219,COC(=O)CNC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,C1COCCO1,336.0
8219,COC(=O)CNC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,CC#N,336.0
8219,COC(=O)CNC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,CO,340.0
8219,COC(=O)CNC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,ClCCl,343.0
8453,COC(=O)c1nc2c(N(C)C)nc(N)nc2n1Cc1ccccc1,CC#N,332.0
8452,COC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,C1COCCO1,344.0
8452,COC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,CC#N,347.0
8454,COC(=O)c1nc2c(N)nc(N(C)C)nc2n1Cc1ccccc1,C1COCCO1,340.0
8452,COC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,CO,347.0
8452,COC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,ClCCl,351.0
6917,CCOc1cccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)c1O,ClCCl,335.0
14633,Oc1ccc(Br)cc1-c1nc2c(c3c1-c1ccccc1CC3)-c1ccccc1CC2,ClCCl,345.0
14305,O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,C1CCOC1,350.0
14305,O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CC#N,345.0
14305,O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCCCCC,339.0
14305,O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCOC(C)=O,339.0
14305,O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CO,334.0
14305,O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CS(C)=O,352.5
14305,O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,Cc1ccccc1,351.0
14305,O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,ClCCl,353.0
9142,COc1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,C1CCOC1,332.0
9142,COc1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CC#N,332.5
9142,COc1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CCCCCC,336.0
9142,COc1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CCOC(C)=O,324.0
9142,COc1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CO,326.0
9142,COc1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CS(C)=O,331.0
9142,COc1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,Cc1ccccc1,334.0
9142,COc1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,ClCCl,333.0
9143,COc1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,C1CCOC1,322.0
9143,COc1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CC#N,321.0
9143,COc1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCCCCC,322.0
9143,COc1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CS(C)=O,321.0
9143,COc1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCOC(C)=O,310.0
9143,COc1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,ClCCl,322.0
9143,COc1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CO,318.0
9143,COc1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,Cc1ccccc1,320.0
15102,c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,C1CCOC1,314.0
15102,c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CC#N,308.0
5952,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,C1CCOC1,364.0
5952,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CC#N,360.0
5952,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CCCCCC,369.0
5952,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CCOC(C)=O,358.0
5952,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CO,360.0
5952,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CS(C)=O,375.0
5952,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,Cc1ccccc1,368.0
5952,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,ClCCl,363.0
5953,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,C1CCOC1,357.0
5953,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CC#N,360.5
5953,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCCCCC,355.0
5953,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCOC(C)=O,346.0
5953,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CO,352.0
5953,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CS(C)=O,361.0
5953,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,Cc1ccccc1,359.0
5953,CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,ClCCl,357.0
15102,c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,ClCCl,318.0
14365,O=[N+]([O-])c1ccc(O)c(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)c1,ClCCl,342.0
13175,N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,C1CCOC1,331.0
13175,N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CCOC(C)=O,329.0
13175,N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CCCCCC,350.0
13175,N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CO,333.0
13175,N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CS(C)=O,360.0
13175,N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,Cc1ccccc1,343.0
13175,N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,ClCCl,345.0
13175,N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CC#N,349.0
14691,Oc1ccccc1-c1nc2c(c3c1-c1ccccc1CC3)-c1ccccc1CC2,ClCCl,339.0
15102,c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCCCCC,309.0
7366,CN(C)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,C1CCOC1,344.0
7366,CN(C)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CC#N,343.0
7366,CN(C)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CCCCCC,348.0
7366,CN(C)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CCOC(C)=O,333.0
7366,CN(C)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CO,332.0
7366,CN(C)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,CS(C)=O,346.0
7366,CN(C)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,Cc1ccccc1,344.0
7366,CN(C)c1ccc(-c2nc3c(c4c2-c2ccc(C#N)cc2CC4)-c2ccc(C#N)cc2CC3)cc1,ClCCl,342.0
7367,CN(C)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,C1CCOC1,348.0
7367,CN(C)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCCCCC,346.0
7367,CN(C)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCOC(C)=O,338.0
7367,CN(C)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CO,342.0
7367,CN(C)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CS(C)=O,350.0
7367,CN(C)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,Cc1ccccc1,351.0
7367,CN(C)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,ClCCl,347.0
15102,c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCOC(C)=O,314.0
15102,c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CO,318.0
15102,c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CS(C)=O,317.0
15102,c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,Cc1ccccc1,312.0
7313,CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CC(C)=O,446.0
7313,CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CCCCO,448.0
7313,CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CCOC(C)=O,442.0
7313,CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CN(C)C=O,456.0
7313,CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CO,444.0
7313,CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,ClC(Cl)Cl,455.0
10020,CS(=O)(=O)c1ccc(-c2cc3ccc(N)cc3c(=O)o2)cc1,CC(C)=O,358.0
10020,CS(=O)(=O)c1ccc(-c2cc3ccc(N)cc3c(=O)o2)cc1,CCCCCCCCO,366.0
10020,CS(=O)(=O)c1ccc(-c2cc3ccc(N)cc3c(=O)o2)cc1,CCCCO,366.0
10020,CS(=O)(=O)c1ccc(-c2cc3ccc(N)cc3c(=O)o2)cc1,CCCO,366.0
10020,CS(=O)(=O)c1ccc(-c2cc3ccc(N)cc3c(=O)o2)cc1,CCOC(C)=O,356.0
10020,CS(=O)(=O)c1ccc(-c2cc3ccc(N)cc3c(=O)o2)cc1,CN(C)C=O,367.0
10020,CS(=O)(=O)c1ccc(-c2cc3ccc(N)cc3c(=O)o2)cc1,CO,358.0
10020,CS(=O)(=O)c1ccc(-c2cc3ccc(N)cc3c(=O)o2)cc1,ClC(Cl)Cl,351.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCO,326.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCO,325.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCO,324.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCOC(C)=O,326.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CN(C)C=O,328.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CO,324.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,ClC(Cl)Cl,327.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCCC,326.0
9795,COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCCCCCO,327.0
9797,COc1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CCO,331.0
9797,COc1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CCOC(C)=O,331.0
9797,COc1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CN(C)C=O,333.0
9797,COc1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CO,330.0
9797,COc1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,ClC(Cl)Cl,334.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CC(C)=O,366.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCCC,362.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCO,365.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCO,365.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCO,366.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCOC(C)=O,365.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CN(C)C=O,370.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CO,364.0
6187,CCN(CC)c1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,ClC(Cl)Cl,368.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CC(C)=O,375.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CCCCCC,373.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CCCCO,378.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CCCO,378.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CCO,376.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CCOC(C)=O,374.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CN(C)C=O,379.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,CO,376.0
6188,CCN(CC)c1ccc2cc(-c3ccc(S(C)(=O)=O)cc3)oc(=O)c2c1,ClC(Cl)Cl,383.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCCC,335.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCO,348.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCO,348.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCO,346.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCOC(C)=O,347.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CN(C)C=O,356.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CO,344.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,ClC(Cl)Cl,336.0
13406,Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CC(C)=O,347.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,C1CCCCC1,355.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,C1CCOC1,363.0
7617,CN(C)c1ccc(C=Nc2ccc(C(=O)O)cc2)cc1,ClC(Cl)Cl,371.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,C1COCCO1,361.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CC#N,357.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CC(C)(C)O,368.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CC(C)O,367.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CCCCCC,353.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CCCCO,367.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CCO,364.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CCOC(C)=O,347.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CN(C)C=O,364.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CO,361.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,CS(C)=O,366.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,ClC(Cl)Cl,344.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,O,358.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,OCCO,363.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,C1CCCCC1,339.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,C1CCOC1,342.0
10824,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(F)(F)F)cc1,ClCCl,343.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CC#N,334.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CC(C)(C)O,345.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CC(C)O,340.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CCCCCC,339.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CCCCO,340.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CCO,340.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CCOC(C)=O,340.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CN(C)C=O,344.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CO,341.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CS(C)=O,346.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,ClC(Cl)Cl,337.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,ClCCl,335.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,O,342.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,OCCO,342.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,C1CCCCC1,385.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,C1CCOC1,402.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,C1COCCO1,393.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CC#N,392.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CC(C)(C)O,407.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CC(C)O,404.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CCCCCC,383.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CCCCO,405.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CCO,402.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CCOC(C)=O,397.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CN(C)C=O,407.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CO,399.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,CS(C)=O,410.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,398.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,ClCCl,392.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,O,395.0
10826,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([N+](=O)[O-])cc1,OCCO,401.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1CCCCC1,344.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1CCOC1,348.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1COCCO1,347.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC#N,340.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC(C)(C)O,350.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC(C)O,347.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCCCCC,342.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCCCO,349.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCO,346.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCOC(C)=O,346.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CN(C)C=O,351.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CO,346.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CS(C)=O,352.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,ClC(Cl)Cl,343.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,ClCCl,341.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,O,354.0
7071,CCc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,OCCO,346.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1CCCCC1,341.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1CCOC1,348.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1COCCO1,344.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC#N,337.0
10825,Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,C1COCCO1,341.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1CCCCC1,340.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1CCOC1,344.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1COCCO1,341.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC#N,338.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC(C)(C)O,346.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC(C)O,343.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCCCCC,338.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCCCO,344.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCO,343.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCOC(C)=O,341.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CN(C)C=O,346.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CO,342.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CS(C)=O,347.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,ClC(Cl)Cl,339.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,ClCCl,335.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,O,343.0
9312,COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,OCCO,343.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC(C)(C)O,346.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC(C)O,345.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCCCCC,340.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCCCO,345.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCO,344.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCOC(C)=O,344.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CN(C)C=O,347.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CO,344.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CS(C)=O,348.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,ClC(Cl)Cl,346.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,ClCCl,341.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,O,346.0
11073,Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,OCCO,344.0
9695,COc1ccc2c(c1)-c1ccccc1C2=O,CCO,387.0
13419,Nc1cccc2c1-c1ccccc1C2=O,c1ccccc1,440.0
13421,Nc1cccc2c1C(=O)c1ccccc1-2,CC#N,420.0
9699,COc1ccc2c(c1)C(=O)c1cc(OC)cc(OC)c1-2,C1CCCCC1,478.0
9699,COc1ccc2c(c1)C(=O)c1cc(OC)cc(OC)c1-2,CC#N,491.0
9699,COc1ccc2c(c1)C(=O)c1cc(OC)cc(OC)c1-2,CCO,492.0
9700,COc1ccc2c(c1)C(=O)c1ccccc1-2,C1CCCCC1,421.0
9700,COc1ccc2c(c1)C(=O)c1ccccc1-2,CC#N,432.0
9700,COc1ccc2c(c1)C(=O)c1ccccc1-2,CCO,433.0
13419,Nc1cccc2c1-c1ccccc1C2=O,CCO,458.0
13421,Nc1cccc2c1C(=O)c1ccccc1-2,CCO,431.0
13419,Nc1cccc2c1-c1ccccc1C2=O,CC#N,451.0
13421,Nc1cccc2c1C(=O)c1ccccc1-2,c1ccccc1,416.0
13421,Nc1cccc2c1C(=O)c1ccccc1-2,C1CCCCC1,407.0
14067,O=C1c2ccccc2-c2ccccc21,C1CCCCC1,382.0
14067,O=C1c2ccccc2-c2ccccc21,CC#N,377.0
14067,O=C1c2ccccc2-c2ccccc21,CCO,379.0
14067,O=C1c2ccccc2-c2ccccc21,c1ccccc1,380.0
13379,Nc1ccc2c(c1)-c1ccccc1C2=O,C1CCCCC1,386.0
13379,Nc1ccc2c(c1)-c1ccccc1C2=O,CC#N,409.0
13379,Nc1ccc2c(c1)-c1ccccc1C2=O,CCO,429.0
13379,Nc1ccc2c(c1)-c1ccccc1C2=O,c1ccccc1,395.0
13419,Nc1cccc2c1-c1ccccc1C2=O,C1CCCCC1,427.0
13384,Nc1ccc2c(c1)C(=O)c1ccccc1-2,CC#N,481.0
8085,CNc1ccc2c(c1)-c1ccccc1C2=O,C1CCCCC1,389.0
8085,CNc1ccc2c(c1)-c1ccccc1C2=O,CC#N,424.0
8085,CNc1ccc2c(c1)-c1ccccc1C2=O,CCO,436.0
8085,CNc1ccc2c(c1)-c1ccccc1C2=O,c1ccccc1,409.0
8086,CNc1ccc2c(c1)C(=O)c1ccccc1-2,C1CCCCC1,474.0
8086,CNc1ccc2c(c1)C(=O)c1ccccc1-2,CC#N,508.0
8086,CNc1ccc2c(c1)C(=O)c1ccccc1-2,CCO,511.0
8086,CNc1ccc2c(c1)C(=O)c1ccccc1-2,c1ccccc1,491.0
9693,COc1ccc2c(c1)-c1cc(OC)ccc1C2=O,C1CCCCC1,361.0
13384,Nc1ccc2c(c1)C(=O)c1ccccc1-2,C1CCCCC1,455.0
8090,CNc1cccc2c1-c1ccccc1C2=O,C1CCCCC1,449.0
8090,CNc1cccc2c1-c1ccccc1C2=O,CC#N,471.0
8090,CNc1cccc2c1-c1ccccc1C2=O,CCO,477.0
8090,CNc1cccc2c1-c1ccccc1C2=O,c1ccccc1,461.0
8091,CNc1cccc2c1C(=O)c1ccccc1-2,C1CCCCC1,432.0
8091,CNc1cccc2c1C(=O)c1ccccc1-2,CC#N,445.0
8091,CNc1cccc2c1C(=O)c1ccccc1-2,CCO,448.0
8091,CNc1cccc2c1C(=O)c1ccccc1-2,c1ccccc1,445.0
8770,COc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1-2,CC#N,504.0
13384,Nc1ccc2c(c1)C(=O)c1ccccc1-2,CCO,488.0
9929,COc1cccc2c1-c1ccccc1C2=O,C1CCCCC1,420.0
9929,COc1cccc2c1-c1ccccc1C2=O,CC#N,432.0
13384,Nc1ccc2c(c1)C(=O)c1ccccc1-2,c1ccccc1,469.0
7679,CN(C)c1ccc2c(c1)-c1ccccc1C2=O,C1CCCCC1,400.0
7679,CN(C)c1ccc2c(c1)-c1ccccc1C2=O,CC#N,431.0
7679,CN(C)c1ccc2c(c1)-c1ccccc1C2=O,CCO,437.0
7679,CN(C)c1ccc2c(c1)-c1ccccc1C2=O,c1ccccc1,420.0
7768,CN(C)c1cccc2c1-c1ccccc1C2=O,C1CCCCC1,412.0
7768,CN(C)c1cccc2c1-c1ccccc1C2=O,CC#N,439.0
7768,CN(C)c1cccc2c1-c1ccccc1C2=O,CCO,438.0
7768,CN(C)c1cccc2c1-c1ccccc1C2=O,c1ccccc1,433.0
7769,CN(C)c1cccc2c1C(=O)c1ccccc1-2,CCO,449.0
7769,CN(C)c1cccc2c1C(=O)c1ccccc1-2,c1ccccc1,445.0
7769,CN(C)c1cccc2c1C(=O)c1ccccc1-2,C1CCCCC1,433.0
7769,CN(C)c1cccc2c1C(=O)c1ccccc1-2,CC#N,444.0
8770,COc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1-2,C1CCCCC1,489.0
7681,CN(C)c1ccc2c(c1)C(=O)c1ccccc1-2,CC#N,510.0
7681,CN(C)c1ccc2c(c1)C(=O)c1ccccc1-2,CCO,509.0
7681,CN(C)c1ccc2c(c1)C(=O)c1ccccc1-2,c1ccccc1,507.0
7681,CN(C)c1ccc2c(c1)C(=O)c1ccccc1-2,C1CCCCC1,484.0
8770,COc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1-2,CCO,506.0
8771,COc1cc(OC)c2c(c1)C(=O)c1ccc(OC)cc1-2,C1CCCCC1,422.0
8771,COc1cc(OC)c2c(c1)C(=O)c1ccc(OC)cc1-2,CC#N,441.0
8771,COc1cc(OC)c2c(c1)C(=O)c1ccc(OC)cc1-2,CCO,442.0
8772,COc1cc(OC)c2c(c1)C(=O)c1ccccc1-2,C1CCCCC1,446.0
8772,COc1cc(OC)c2c(c1)C(=O)c1ccccc1-2,CC#N,455.0
8772,COc1cc(OC)c2c(c1)C(=O)c1ccccc1-2,CCO,455.0
9693,COc1ccc2c(c1)-c1cc(OC)ccc1C2=O,CC#N,376.0
9693,COc1ccc2c(c1)-c1cc(OC)ccc1C2=O,CCO,382.0
9929,COc1cccc2c1-c1ccccc1C2=O,CCO,432.0
9695,COc1ccc2c(c1)-c1ccccc1C2=O,C1CCCCC1,365.0
9695,COc1ccc2c(c1)-c1ccccc1C2=O,CC#N,379.0
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCCCC1,342.5009419
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCOC1,348.1045706
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1COCCO1,348.2985615
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC#N,347.1981112
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)=O,348.894006
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CC(C)(C)C,340.7967829
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CO,350.2995061
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)O,348.894006
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(O)CO,353.9948317
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1CCCO1,347.2945753
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1COC(=O)O1,350.5942573
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCC(C)CC,339.99728
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCC,339.6047001
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCC,340.9013432
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCCC,341.7985439
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCCCC,341.7985439
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCO,351.0989397
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCO,351.2962833
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCO,347.5963711
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCO,351.2962833
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCO,350.4959518
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOC(C)=O,345.697791
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOCC,344.1985337
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CN(C)C=O,352.0011264
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CO,350.2013658
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,COCCOC,349.4060098
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CS(C)=O,354.4967918
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1,349.0035947
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1C,349.1985892
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,ClC(Cl)Cl,352.2987493
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,ClCCl,350.5942573
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,NC=O,355.0001775
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,OC1CCCCC1,352.2987493
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,OCCO,355.6946717
8151,COC(=O)C(Cc1ccc2oc(-c3ccc(N(C)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,c1ccccc1,349.8950315
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCCCC1,341.2037669
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCOC1,350.9018177
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1COCCO1,347.3548925
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC#N,346.4043231
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)=O,348.5049139
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CC(C)(C)C,338.9026333
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CO,357.8969972
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)O,355.5049948
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)OC(C)C,350.0052501
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(O)CO,355.7959155
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1CCCO1,348.1045706
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1COC(=O)O1,353.8946102
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCC(C)CC,339.3051031
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCC,338.9026333
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCC,338.9026333
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCCC,340.2981011
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCCCC,339.99728
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCO,359.5053207
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCO,359.1954023
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCO,355.4039166
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCO,357.9226171
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCO,356.2014676
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOC(C)=O,346.5964231
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOCC,346.4043231
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CN(C)C=O,354.195445
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CO,353.5067873
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,COCCOC,351.9020305
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CS(C)=O,357.8969972
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1,346.5964231
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1C,346.4043231
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,ClC(Cl)Cl,347.1981112
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,ClCCl,345.6022119
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,NC=O,355.7959155
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,OC1CCCCC1,357.1045959
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,OCCO,357.8969972
8153,COC(=O)C(Cc1ccc2oc(-c3ccc(Nc4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,c1ccccc1,346.8970063
9934,COc1cccc2cc(-c3cc4cccc(OC)c4oc3=O)oc12,CC#N,352.0
9934,COc1cccc2cc(-c3cc4cccc(OC)c4oc3=O)oc12,CCOC(C)=O,351.0
9934,COc1cccc2cc(-c3cc4cccc(OC)c4oc3=O)oc12,CS(C)=O,359.0
9934,COc1cccc2cc(-c3cc4cccc(OC)c4oc3=O)oc12,Cc1ccccc1,358.0
9934,COc1cccc2cc(-c3cc4cccc(OC)c4oc3=O)oc12,O,363.0
8707,COc1cc(Br)cc2cc(-c3cc4cc(Br)cc(OC)c4oc3=O)oc12,CC#N,353.0
8707,COc1cc(Br)cc2cc(-c3cc4cc(Br)cc(OC)c4oc3=O)oc12,CCOC(C)=O,355.0
8707,COc1cc(Br)cc2cc(-c3cc4cc(Br)cc(OC)c4oc3=O)oc12,CS(C)=O,359.0
8707,COc1cc(Br)cc2cc(-c3cc4cc(Br)cc(OC)c4oc3=O)oc12,Cc1ccccc1,360.0
8707,COc1cc(Br)cc2cc(-c3cc4cc(Br)cc(OC)c4oc3=O)oc12,O,359.0
9940,COc1cccc2oc(-c3cc4c(OC)cccc4oc3=O)cc12,CC#N,383.0
9940,COc1cccc2oc(-c3cc4c(OC)cccc4oc3=O)cc12,CCOC(C)=O,385.0
9940,COc1cccc2oc(-c3cc4c(OC)cccc4oc3=O)cc12,CS(C)=O,389.0
9940,COc1cccc2oc(-c3cc4c(OC)cccc4oc3=O)cc12,Cc1ccccc1,389.0
9940,COc1cccc2oc(-c3cc4c(OC)cccc4oc3=O)cc12,O,384.0
9865,COc1ccc2oc(-c3cc4cc(OC)ccc4oc3=O)cc2c1,CCOC(C)=O,384.0
9865,COc1ccc2oc(-c3cc4cc(OC)ccc4oc3=O)cc2c1,CS(C)=O,389.0
9865,COc1ccc2oc(-c3cc4cc(OC)ccc4oc3=O)cc2c1,Cc1ccccc1,388.0
9865,COc1ccc2oc(-c3cc4cc(OC)ccc4oc3=O)cc2c1,O,347.0
9865,COc1ccc2oc(-c3cc4cc(OC)ccc4oc3=O)cc2c1,CC#N,382.0
11501,Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,CC#N,372.0
11501,Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,CCOC(C)=O,374.0
11501,Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,CS(C)=O,377.0
11501,Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,Cc1ccccc1,378.0
11501,Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,O,351.0
9793,COc1ccc2cc(-c3cc4ccc(OC)cc4oc3=O)oc2c1,CC#N,388.0
9793,COc1ccc2cc(-c3cc4ccc(OC)cc4oc3=O)oc2c1,CCOC(C)=O,390.0
9793,COc1ccc2cc(-c3cc4ccc(OC)cc4oc3=O)oc2c1,CS(C)=O,394.0
9793,COc1ccc2cc(-c3cc4ccc(OC)cc4oc3=O)oc2c1,Cc1ccccc1,395.0
9793,COc1ccc2cc(-c3cc4ccc(OC)cc4oc3=O)oc2c1,O,361.0
14533,O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,CC#N,370.0
14533,O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,CCOC(C)=O,371.0
14533,O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,CS(C)=O,374.0
14533,O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,Cc1ccccc1,377.0
14533,O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,O,331.0
14534,O=c1oc2ccc(Cl)cc2cc1-c1cc2cc(Cl)ccc2o1,CC#N,369.0
14534,O=c1oc2ccc(Cl)cc2cc1-c1cc2cc(Cl)ccc2o1,CCOC(C)=O,370.0
14534,O=c1oc2ccc(Cl)cc2cc1-c1cc2cc(Cl)ccc2o1,CS(C)=O,373.0
14534,O=c1oc2ccc(Cl)cc2cc1-c1cc2cc(Cl)ccc2o1,Cc1ccccc1,375.0
14534,O=c1oc2ccc(Cl)cc2cc1-c1cc2cc(Cl)ccc2o1,O,327.0
14551,O=c1oc2ccccc2cc1-c1cc2ccccc2o1,CC#N,366.0
14551,O=c1oc2ccccc2cc1-c1cc2ccccc2o1,CCOC(C)=O,368.0
14551,O=c1oc2ccccc2cc1-c1cc2ccccc2o1,CS(C)=O,371.0
14551,O=c1oc2ccccc2cc1-c1cc2ccccc2o1,Cc1ccccc1,373.0
14551,O=c1oc2ccccc2cc1-c1cc2ccccc2o1,O,365.0
8874,COc1cc2cc(-c3cc4cc(OC)c(OC)cc4oc3=O)oc2cc1OC,CC#N,404.0
8874,COc1cc2cc(-c3cc4cc(OC)c(OC)cc4oc3=O)oc2cc1OC,CCOC(C)=O,408.0
8874,COc1cc2cc(-c3cc4cc(OC)c(OC)cc4oc3=O)oc2cc1OC,CS(C)=O,411.0
8874,COc1cc2cc(-c3cc4cc(OC)c(OC)cc4oc3=O)oc2cc1OC,Cc1ccccc1,410.0
8874,COc1cc2cc(-c3cc4cc(OC)c(OC)cc4oc3=O)oc2cc1OC,O,358.0
11557,Cc1cccc2cc(-c3cc4cccc(C)c4oc3=O)oc12,CC#N,369.0
11557,Cc1cccc2cc(-c3cc4cccc(C)c4oc3=O)oc12,CCOC(C)=O,370.0
11557,Cc1cccc2cc(-c3cc4cccc(C)c4oc3=O)oc12,CS(C)=O,373.0
11557,Cc1cccc2cc(-c3cc4cccc(C)c4oc3=O)oc12,Cc1ccccc1,376.0
11557,Cc1cccc2cc(-c3cc4cccc(C)c4oc3=O)oc12,O,367.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,C1CCCCC1,335.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,C1COCCO1,335.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,CC#N,332.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,CC(C)(C)O,339.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,CC(C)O,339.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,CCCCCC,334.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,CCCCO,339.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,CCOC(C)=O,335.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,CN(C)C=O,337.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,CO,340.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,ClCCl,338.0
13983,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1,O,341.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,C1CCCCC1,336.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,C1COCCO1,337.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,CC#N,334.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,CC(C)(C)O,339.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,CC(C)O,339.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,CCCCCC,334.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,CCCCO,341.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,CCOC(C)=O,335.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,CN(C)C=O,340.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,CO,339.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,ClCCl,339.0
13984,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(Cl)cc1Cl,O,340.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,C1CCCCC1,333.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,C1COCCO1,334.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,CC#N,332.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,CC(C)(C)O,336.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,CC(C)O,338.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,CCCCCC,331.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,CCCCO,337.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,CCOC(C)=O,334.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,CN(C)C=O,337.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,CO,336.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,ClCCl,336.0
13985,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)cc1,O,338.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,C1CCCCC1,341.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,C1COCCO1,343.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CC#N,341.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CC(C)(C)O,347.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CC(C)O,345.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CCCCCC,340.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CCCCO,346.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CCOC(C)=O,342.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,C1CCCCC1,334.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,C1COCCO1,336.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CC#N,328.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CC(C)(C)O,338.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CC(C)O,338.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CCCCCC,333.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CCCCO,340.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CCOC(C)=O,334.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CN(C)C=O,338.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CO,343.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,ClCCl,331.0
9372,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,O,330.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,C1COCCO1,337.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CC#N,335.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CC(C)(C)O,345.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CC(C)O,345.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CCCCO,345.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CCOC(C)=O,339.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CN(C)C=O,344.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CO,343.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,ClCCl,339.0
9373,COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,O,347.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,ClCCl,337.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,O,336.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CN(C)C=O,344.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CO,346.0
13986,O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,ClCCl,344.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,C1CCCCC1,335.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,C1COCCO1,335.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,CC#N,334.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,CC(C)(C)O,339.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,CC(C)O,339.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,CCCCCC,333.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,CCCCO,340.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,CCOC(C)=O,335.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,CN(C)C=O,337.0
13987,O=C1Nc2ccccc2/C1=C/C(=O)c1ccccc1,CO,340.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,C1CCCCC1,333.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,C1COCCO1,334.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CC#N,332.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CC(C)(C)O,337.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CC(C)O,337.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CCCCCC,332.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CCCCO,338.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CCOC(C)=O,334.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CN(C)C=O,338.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,CO,339.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,ClCCl,337.0
11089,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1,O,338.0
11090,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,C1CCCCC1,335.0
11090,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,C1COCCO1,335.0
11090,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,CCCCCC,333.0
11090,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,CCOC(C)=O,335.0
11090,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,CN(C)C=O,338.0
11090,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,ClCCl,336.0
11090,Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,O,338.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,O,359.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,CC(C)O,357.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,CCO,357.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,CCOC(C)=O,356.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,CN(C)C=O,360.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,CO,356.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,CS(C)=O,363.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,O,359.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,C1CCOC1,358.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,C1COCCO1,358.0
13287,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,CC#N,357.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,C1CCOC1,353.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,C1COCCO1,353.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,CC#N,352.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,CC(C)O,352.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,CCO,352.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,CCOC(C)=O,352.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,CN(C)C=O,355.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,CO,351.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,CS(C)=O,358.0
13288,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1,O,354.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,C1CCOC1,359.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,C1COCCO1,359.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,CC(C)O,357.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,CCO,357.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,CCOC(C)=O,357.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,CN(C)C=O,361.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,CO,357.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,CS(C)=O,364.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,O,359.0
13289,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1,CC#N,358.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,C1CCOC1,358.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,C1CCOC1,359.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,C1COCCO1,360.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CC#N,358.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CC(C)O,358.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CCO,358.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CCOC(C)=O,358.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CN(C)C=O,362.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CO,357.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CS(C)=O,364.0
11187,Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,O,360.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,CN(C)C=O,361.0
13565,O=C(O)CCCCCOc1ccc(C2=NN(c3ccc(S(=O)(=O)[O-])cc3)C(c3ccccc3S(=O)(=O)[O-])C2)cc1,O,362.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,C1CCOC1,358.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,C1COCCO1,358.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,CC#N,357.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,CC(C)O,357.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,CO,356.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,CCO,357.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,CS(C)=O,363.0
13286,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Cl)cc2)cc1,CCOC(C)=O,357.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,C1CCOC1,359.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,C1COCCO1,360.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CC#N,358.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CC(C)O,358.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CCO,358.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CCOC(C)=O,358.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CN(C)C=O,361.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CO,357.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CS(C)=O,364.0
9489,COc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,O,360.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,C1COCCO1,358.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,CC#N,357.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,CC(C)O,357.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,CCO,357.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,CCOC(C)=O,357.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,CN(C)C=O,361.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,CO,356.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,CS(C)=O,364.0
13285,NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(Br)cc2)cc1,O,359.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,N#Cc1ccccc1,341.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,c1ccccc1,345.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,C1CCCCC1,353.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,C1CCOC1,355.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,C1COCCO1,367.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CC#N,349.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CC(C)=O,366.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CC(C)CO,352.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CC(C)O,352.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCCCC,355.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCCCCC,367.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCCCCCCCO,355.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCCCCCCO,354.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCCCCCO,355.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCCCO,353.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCCCOC(C)=O,367.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCCO,351.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCO,350.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CCOCC,363.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CN(C)C=O,349.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CO,348.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,CS(C)=O,373.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,Cc1ccccc1,381.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,Cc1ccccc1C,359.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,ClC(Cl)Cl,356.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,ClCCl,356.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,N#Cc1ccccc1,357.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,OCCO,349.0
14710,Oc1ccccc1/N=C/c1ccccc1Oc1ccccc1,c1ccccc1,366.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,C1CCCCC1,322.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,C1CCOC1,327.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,C1COCCO1,325.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CC#N,328.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CC(C)CO,323.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CC(C)O,324.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCCCC,318.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCCCCC,320.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCCCCCCCO,329.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCCCCCCO,325.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCCCCCO,321.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCCCO,331.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCCCOC(C)=O,326.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCCO,328.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCO,327.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCOC(C)=O,321.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CCOCC,327.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CN(C)C=O,329.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CO,328.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,CS(C)=O,329.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,Cc1ccccc1,324.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,Cc1ccccc1C,327.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,ClC(Cl)Cl,328.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,ClCCl,325.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,N#Cc1ccccc1,344.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,OCCO,328.0
14678,Oc1cccc(/N=C/c2ccccc2Oc2ccccc2)c1,c1ccccc1,328.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,C1CCCCC1,348.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,C1COCCO1,341.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CC#N,350.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CC(C)=O,342.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CC(C)CO,344.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CC(C)O,344.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CCCCC,341.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CCCCCC,346.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CCCCO,346.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CCCCOC(C)=O,346.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CCCO,345.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CCOC(C)=O,340.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CCOCC,345.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CN(C)C=O,345.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CO,342.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,CS(C)=O,348.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,Cc1ccccc1,342.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,Cc1ccccc1C,382.0
14632,Oc1ccc(/N=C/c2ccccc2Oc2ccccc2)cc1,ClC(Cl)Cl,343.0
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,BrC(Br)Br,758.3819629
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,BrCBr,725.6598985
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,BrCCBr,746.5013055
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Brc1cccc(Br)c1,783.3150685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Brc1ccccc1,781.1748634
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Brc1ccccc1Br,760.3989362
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Brc1cccnc1,720.1763224
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C#CCCCC,833.5568513
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C#CCO,513.3034111
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C#Cc1ccccc1,768.5752688
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1=CCCCC1,887.9192547
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1CCCCC1,925.2750809
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1CCNC1,731.2276215
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1CCNCC1,805.3802817
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1CCOC1,764.4652406
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1CCOCC1,789.8066298
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1CCSC1,779.0463215
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1CC[C@H]2CCCC[C@H]2C1,916.3782051
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1COCCN1,697.3414634
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1COCCO1,794.1944444
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C1COCO1,663.3642691
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=C(C)C(=O)OC,754.3799472
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=C(Cl)Cl,772.7297297
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=CC#N,612.2269807
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=CC(=O)OC,736.8814433
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=CCCCC,882.4382716
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=CCO,550.8863198
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=COC(C)=O,752.3947368
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=COCC,789.8066298
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C=Cc1ccccc1,821.5804598
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CBr,760.3989362
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC#N,626.995614
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)C(C)(C)C,733.1025641
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)C(C)C,699.0464548
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)C(Cl)(Cl)Cl,622.8976035
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)C1(C)COCOC1,688.939759
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)CC(C)=O,581.1178862
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)CC(C)C,725.6598985
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)N(C)C,666.4568765
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)O,553.0174081
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)OC(C)=O,651.2756264
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)OCC(COC(C)=O)OC(C)=O,707.6980198
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)Oc1cccc(O)c1,537.424812
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(=O)c1ccccc1,704.2118227
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(Br)CBr,731.2276215
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)(C)N,783.3150685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)(C)O,660.3002309
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)(C)c1ccc(O)c(C(C)(C)C)c1,618.8528139
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)(C)c1ccc(O)cc1,567.281746
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)(C)c1cccc(C(C)(C)C)c1O,683.9952153
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)(C)c1cccc(C(C)(C)C)n1,840.9117647
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)(C)c1ccccc1O,581.1178862
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)(Cl)Cl,754.3799472
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)=O,677.5118483
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)C(=O)C(C)C,738.7855297
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)C(C)O,625.6236324
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)C(O)C(C)C,712.9925187
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)CC(=O)CC(C)C,752.3947368
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)CCO,583.4897959
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)CO,588.2921811
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)N(C#N)C(C)C,680.7380952
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)O,590.7231405
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)OC(C)C,838.4457478
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(C)c1ccccc1O,567.281746
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(Cl)(Cl)Cl,789.8066298
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(Cl)Cl,725.6598985
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(O)C(C)O,551.9498069
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(O)CCO,541.4962121
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(O)CN,570.6786427
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(O)CO,528.4842884
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC(O)c1ccccc1,612.2269807
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC1CCC(C)O1,814.5584046
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC1CCCO1,783.3150685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC1CCCOC1,805.3802817
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC1CCS(=O)(=O)C1,664.9069767
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC1CO1,718.3668342
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC1COC(=O)O1,621.5434783
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC1OCCO1,642.494382
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC#N,655.7568807
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(=O)CC,727.5063613
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(=O)O,566.1584158
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(C)(C)O,697.3414634
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(C)(C)OC,831.1337209
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(C)=O,692.2760291
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(C)C,925.2750809
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(C)CO,595.6458333
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(C)O,607.0276008
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(N)CO,569.5418327
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(O)(C(C)C)C(C)C,754.3799472
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(O)(CC)CC,742.6233766
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(O)CC,625.6236324
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCC(O)CO,543.5551331
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCC#N,672.7294118
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCC(=O)CCC,734.9871465
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCC(C)=O,695.6447689
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCC(C)O,614.8602151
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCC,922.2903226
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCC(=O)CCCC,762.4266667
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCC(C)=O,712.9925187
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCC,922.2903226
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCC,919.3247588
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCC,919.3247588
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCCC,922.2903226
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCCCC,922.2903226
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCCCCCC,919.3247588
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCCCCCCO,601.9157895
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCCCCCO,600.6512605
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCCCCO,599.3920335
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCCCO,598.1380753
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCCO,594.4074844
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCCO,589.5051546
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCCO,585.8811475
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCCO,582.3014257
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCN(CCCC)CCCC,890.6853583
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCO,575.2716298
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCOC(=O)c1ccccc1C(=O)OCCCC,723.8227848
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCOC(C)=O,742.6233766
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCOCCCC,866.3939394
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCOCCO,571.82
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCOP(=O)(OCCCC)OCCCC,734.9871465
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCCl,764.4652406
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCO,563.9250493
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCOC(C)=O,762.4266667
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCOCCC,840.9117647
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCCOP(=O)(OCCC)OCCC,705.9506173
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCN(C#N)CC,660.3002309
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCN(CC)C(C)=O,690.6038647
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCN(CC)CC,890.6853583
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCN(CC)P(=O)(N(CC)CC)N(CC)CC,723.8227848
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCN(CC)S(=O)(=O)N(CC)CC,697.3414634
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCN1CCCC1=O,687.2836538
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCNCC,807.6553672
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCO,550.8863198
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOC(=O)C(Cl)(Cl)Cl,738.7855297
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOC(=O)CC(C)=O,578.7651822
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOC(=O)CCl,725.6598985
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOC(=O)OCC,779.0463215
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOC(=O)[C@H](C)O,559.5107632
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOC(=O)c1ccccc1,750.4199475
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOC(C)=O,750.4199475
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOC=O,699.0464548
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOCC,828.7246377
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOCCO,560.6078431
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOCCOCCOCC,762.4266667
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOCOCC,843.3923304
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOP(=O)(OCC)OCC,685.6354916
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCOc1ccccc1,781.1748634
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCP(C)(=O)N(C)C,675.9101655
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CC[N+](=O)[O-],655.7568807
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCc1ccc(O)cc1,569.5418327
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCc1cccc(O)c1,554.0891473
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CCc1ccccc1O,569.5418327
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN(C)C#N,652.7625571
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN(C)C(=N)N(C)C,727.5063613
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN(C)C(=O)N(C)C,699.0464548
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN(C)C=O,661.8287037
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN(C)C=S,649.7954545
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN(C)P(=O)(N(C)C)N(C)C,699.0464548
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN(C)c1ccccc1,783.3150685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN(C=O)c1ccccc1,700.7598039
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN1CCCC1=O,677.5118483
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN1CCCC1=S,668.0140187
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN1CCCN(C)C1=O,679.1211401
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CN1CCN(C)C1=O,672.7294118
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CNC(C)=O,549.8269231
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CNC=O,528.4842884
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CNc1ccccc1,672.7294118
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CO,516.0830325
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COC(=O)C(Cl)(Cl)Cl,721.9949495
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COC(=O)OC,748.4554974
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COC(=O)c1ccccc1C(=O)OC,702.4815725
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COC(=O)c1ccccc1O,629.7577093
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COC(C)(C)C,823.9481268
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COC(C)=O,734.9871465
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COC=O,682.3627685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COCC(C)O,588.2921811
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COCCC#N,643.9414414
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COCCO,549.8269231
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COCCOC,748.4554974
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COCCOCCOC,740.6994819
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COCCOCCOCCOC,734.9871465
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COCOC,798.6312849
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COP(=O)(OC)OC,655.7568807
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COc1cc(O)cc(OC)c1,562.8149606
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COc1ccc(O)cc1,629.7577093
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COc1cccc(OC)c1O,683.9952153
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COc1ccccc1,770.6469003
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,COc1ccccc1OC,744.5572917
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CS(C)=O,633.9467849
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CSCS(C)=O,649.7954545
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,CSc1ccccc1,772.7297297
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C[N+](=O)[O-],617.5161987
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,C[Si](C)(C)C,931.3029316
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cc(Br)ccc1Br,783.3150685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,682.3627685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cc(C)c(C)c(O)c1,624.2576419
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cc(C)cc(C)c1,869.0273556
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cc(C)cc(O)c1,601.9157895
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cc(C)nc(C)c1,785.467033
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cc(O)ccc1Cl,560.6078431
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(C(C)C)c(O)c1,590.7231405
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(C(C)C)cc1O,587.0841889
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(C)c(C)c1C,866.3939394
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(C)c(O)c1C,666.4568765
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(C)cc1,863.776435
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(O)c(C(C)(C)C)c1,610.9188034
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(O)c(C)c1,568.4095427
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(O)cc1,536.4165103
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccc(O)cc1C,605.7415254
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cccc(C)n1,774.8238482
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cccc(O)c1,545.629771
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cccc(O)c1C,633.9467849
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1cccc2ccccc12,809.9433428
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccccc1,843.3923304
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccccc1O,550.8863198
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccccn1,746.5013055
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccncc1,723.8227848
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cc1ccncc1C,734.9871465
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cl/C=C/Cl,835.994152
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Cl/C=C\Cl,682.3627685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC(Cl)(Cl)Br,821.5804598
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC(Cl)(Cl)Cl,882.4382716
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC(Cl)=C(Cl)C(Cl)(Cl)Cl,871.6768293
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,887.9192547
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC(Cl)=C(Cl)Cl,890.6853583
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC(Cl)C(Cl)(Cl)Cl,785.467033
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC(Cl)C(Cl)Cl,725.6598985
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC(Cl)Cl,731.2276215
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl,871.6768293
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC1CCCCC1,789.8066298
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClC=C(Cl)Cl,796.4066852
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCC(Cl)CCl,707.6980198
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCC(Cl)Cl,709.4540943
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCC1CO1,642.494382
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCCCCCCCCCCCl,781.1748634
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCCCCCl,723.8227848
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCCCCl,711.2189055
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCCCl,692.2760291
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCCOCCCl,687.2836538
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ClCCl,702.4815725
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Clc1ccc(Cl)c(Cl)c1,789.8066298
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Clc1cccc(Cl)c1,779.0463215
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Clc1cccc2ccccc12,772.7297297
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Clc1ccccc1,776.9293478
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Clc1ccccc1Cl,752.3947368
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Clc1ccccn1,682.3627685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,FC(Cl)(Cl)Cl,858.5885886
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,FC(F)(Cl)C(F)(Cl)Cl,861.1746988
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,FC(F)(F)C(Cl)(Cl)Cl,845.887574
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,FC(F)(F)C(F)(Cl)C(F)(F)Cl,850.922619
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,FC(F)(F)CCCl,702.4815725
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,FC(F)(F)c1ccccc1,742.6233766
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl,858.5885886
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1c(F)c(F)c(F)c(F)c1F,835.994152
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1cc(F)c(F)c(F)c1F,744.5572917
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1cc(F)cc(F)c1,861.1746988
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1ccc(F)cc1,785.467033
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1cccc(F)c1,766.5147453
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1cccc(F)n1,660.3002309
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1ccccc1,772.7297297
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1ccccc1F,727.5063613
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1ccccn1,674.3160377
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Fc1nc(F)c(F)c(F)c1F,787.630854
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,ICI,783.3150685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Ic1cccc2ccccc12,774.8238482
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Ic1ccccc1,789.8066298
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#CC(Cl)(Cl)Cl,714.775
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#CCCO,479.7147651
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#CCc1ccccc1,669.5784543
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#CN1CCCC1,671.1502347
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#CN1CCCCC1,679.1211401
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#CN1CCOCC1,668.0140187
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#Cc1ccc(O)cc1,547.7203065
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#Cc1ccccc1,688.939759
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,N#Cc1ccccn1,646.8552036
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,NC=O,512.3835125
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,NCCN,680.7380952
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,NCCO,551.9498069
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Nc1cccc(O)c1,607.0276008
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Nc1ccccc1,645.3950339
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Nc1ccccc1O,605.7415254
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O,453.0
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=C(Oc1ccccc1)c1ccccc1O,682.3627685
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=C1CCCC1,725.6598985
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=C1CCCCC1,718.3668342
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=C1CCCCCN1CO,687.2836538
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=C1CCCO1,645.3950339
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=C1NCCC1C1CCCCC1,707.6980198
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=C1OCCO1,588.2921811
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=CO,526.5377532
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=S1(=O)CCCC1,649.7954545
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=[N+]([O-])C1CCCCC1,721.9949495
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=[N+]([O-])c1ccccc1,693.9563107
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,O=[N+]([O-])c1ccccc1O,643.9414414
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OC(C(F)(F)F)C(F)(F)F,437.8407351
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OC1CCCC1,608.3191489
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OC1CCCCC1,605.7415254
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCC(Cl)(Cl)Cl,528.4842884
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCC(F)(F)C(F)F,481.3299663
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCC(F)(F)F,478.1103679
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCC(O)CO,501.5964912
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCC1CCCO1,568.4095427
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCCCCO,550.8863198
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCCCO,534.411215
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCCO,520.7832423
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCCc1ccccc1,589.5051546
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCCl,518.892922
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCN(CCO)CCO,516.0830325
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCO,507.8330373
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCOCCO,531.4312268
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCOCCOCCO,541.4962121
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCOCCOCCOCCO,547.7203065
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCS,533.4141791
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCSCCO,524.6055046
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCCc1ccccc1,577.5959596
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCc1ccccc1,567.281746
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,OCc1ccco1,568.4095427
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Oc1c(Cl)cccc1Cl,617.5161987
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Oc1ccc(Br)cc1,547.7203065
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Oc1ccc(Cl)cc1,525.5698529
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Oc1ccc(F)cc1,515.1531532
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Oc1ccccc1,535.411985
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,Oc1ccccc1Cl,522.6873857
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,S=C=S,871.6768293
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,[2H]C(Cl)(Cl)Cl,733.1025641
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccc(C2CCCCC2)cc1,835.994152
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccc(COCc2ccccc2)cc1,787.630854
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccc(Oc2ccccc2)cc1,809.9433428
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccc2c(c1)CCCC2,853.4626866
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccc2ncccc2c1,725.6598985
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccccc1,833.5568513
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccncc1,705.9506173
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccoc1,794.1944444
14810,[O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1,c1ccsc1,807.6553672
3314,CCCCCCCCCC[n+]1cc2ccc3c[n+](CCCCCCCCCC)cc4ccc(c1)c2c34,CC#N,418.0
10254,C[n+]1cc2ccc3c[n+](C)cc4ccc(c1)c2c34,CC#N,418.0
13829,O=C(c1ccc(C(=C(c2ccc(C(=O)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(C(=O)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,340.0
9048,COc1ccc(-c2ccc3c(c2)C=C2B(N3)OB3Nc4ccc(Br)cc4C=C3C(c3ccccc3)=C2c2ccccc2)cc1,ClCCl,419.0
15460,c1ccc2c(c1)ccc1c2c2ncc3cccc1n32,CO,469.0
1344,CC(C)CCCC(C)CCOc1cc(C#Cc2c3ccccc3c(C#Cc3ccc(C#Cc4cccc(C(=O)O)c4)cc3C#N)c3ccccc23)c(OCCC(C)CCCC(C)C)cc1C#Cc1ccccc1,Cc1ccccc1,516.0
7530,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(/C=C4\SC(=S)N(CC(=O)O)C4=O)cc3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,444.0
9246,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)c4ccccc34)=C2c2ccccc2)c2ccccc12,CC#N,550.0
9246,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)c4ccccc34)=C2c2ccccc2)c2ccccc12,CC(C)=O,549.0
9246,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)c4ccccc34)=C2c2ccccc2)c2ccccc12,CCOC(C)=O,542.0
9246,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)c4ccccc34)=C2c2ccccc2)c2ccccc12,CCOCC,540.0
9246,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)c4ccccc34)=C2c2ccccc2)c2ccccc12,ClC(Cl)(Cl)Cl,542.0
9246,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)c4ccccc34)=C2c2ccccc2)c2ccccc12,ClCCl,556.0
8665,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C1CCCCC1,408.0
8665,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CC#N,418.0
8665,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CN(C)C=O,430.0
8665,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CO,420.0
8665,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CS(C)=O,429.0
8665,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,c1ccccc1,418.0
4527,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)cc4)c4ccc(-c5sc(C=C(C#N)C(=O)O)c6c5OCCO6)cc4)cc3)cc2)cc1,ClCCl,488.0
12815,N#CC(=Cc1sc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2c1OCCO2)C(=O)O,ClCCl,489.0
2691,CCCCC(CC)Cc1cc(C)sc1-c1nc2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c2nc1-c1sc(C)cc1CC(CC)CCCC,C1CCOC1,370.0
1403,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#Cc2ccc(Br)cc2)c2cc3ccccc3cc12)(C(C)C)C(C)C,ClCCl,654.0
1404,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#Cc2ccc(C(F)(F)F)cc2)c2cc3ccccc3cc12)(C(C)C)C(C)C,ClCCl,654.0
1405,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#Cc2ccc(C=C(C#N)C(=O)O)cc2)c2cc3ccccc3cc12)(C(C)C)C(C)C,C1CCOC1,665.0
11078,Cc1ccc(C#Cc2c3cc4ccccc4cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc4ccccc4cc23)cc1,ClCCl,654.0
1407,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#Cc2ccc(F)cc2)c2cc3ccccc3cc12)(C(C)C)C(C)C,ClCCl,651.0
1408,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#Cc2ccccc2)c2cc3ccccc3cc12)(C(C)C)C(C)C,ClCCl,652.0
9324,COc1ccc(C#Cc2c3cc4ccccc4cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc4ccccc4cc23)cc1,ClCCl,655.0
1447,CC(C)[Si](C#Cc1ccc(C#Cc2c3cc4ccccc4cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc4ccccc4cc23)cc1)(C(C)C)C(C)C,ClCCl,659.0
3544,CCCCCCCCOc1ccc(C#Cc2c3cc4ccccc4cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc4ccccc4cc23)cc1,ClCCl,656.0
12500,N#C/C(=C\c1ccc(-c2sc(-c3ccc(N4c5ccccc5C5C6CCC(C6)C54)cc3)c3c2OCCO3)s1)C(=O)O,ClCCl,535.0
4184,CCCCCCOc1cc(-c2ccc(-n3c(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3/C=C(\C#N)C(=O)O)cc2)c(OCCCCCC)cc1-c1ccc(-n2c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2/C=C(\C#N)C(=O)O)cc1,ClCCl,426.0
1678,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(C#Cc4ccc(-c5ccc(/C=C(/C#N)C(=O)O)cc5)c5nsnc45)s2)c(=O)oc31,CCO,490.0
3115,CCCCCCCCCCCCN(c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClCCl,457.0
7101,CCn1c(-c2cc(-c3nc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)c(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)n3CC)c3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc(-c2ccc3c(c2)C(CC)(CC)c2ccccc2-3)c1-c1ccc2c(c1)C(CC)(CC)c1ccccc1-2,C1CCOC1,459.0
3145,CCCCCCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(OCCCCCC)cc3)ccc21,ClCCl,458.0
3433,CCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(OCCCCCC)cc3)ccc21,ClCCl,449.0
4078,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(OC)cc3)ccc21,ClCCl,475.0
4273,CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=C(/C#N)C(=O)O)ccc2N3CCCCCC)c(OCCCCCC)c1,ClCCl,477.0
4274,CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=C(\C#N)C(=O)O)ccc2N3CC)cc1,ClCCl,464.0
4275,CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=C(\C#N)C(=O)O)ccc2N3CCCCCC)cc1,ClCCl,474.0
3449,CCCCCCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3F)ccc21,ClCCl,423.0
4125,CCCCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc21,C1CCOC1,396.0
5294,CCCCN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CS(C)=O,572.0
7538,CN(C)c1ccc(C(=Cc2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,500.0
1696,CC1(C)Cc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)C5)O1,CC(C)O,485.9086492
1696,CC1(C)Cc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)C5)O1,CCCCCC,483.0917874
1696,CC1(C)Cc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)C5)O1,ClC(Cl)Cl,490.9180167
1696,CC1(C)Cc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)C5)O1,c1ccccc1,488.0429478
1696,CC1(C)Cc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)C5)O1,C1CCCCC1,484.9660524
1696,CC1(C)Cc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)C5)O1,C1COCCO1,488.997555
1696,CC1(C)Cc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)C5)O1,CC#N,488.997555
2154,CC1=[N+]2C(=C(c3ccccc3)c3c4c(c(C)n3[B-]2(F)F)CCc2ccccc2-4)C2=C1CCc1ccccc12,CC#N,565.0
14439,O=c1c(C2CCCCC2)coc2cc(O)ccc12,O,334.0
4191,CCCCCCOc1cc(-n2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nn2)c(OCCCCCC)cc1C=C(C#N)C(=O)O,C1COCCO1,388.0
4190,CCCCCCOc1cc(-n2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nn2)c(OCCCCCC)cc1/C=C(/C#N)C(=O)O,C1COCCO1,388.0
4348,CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc4c(c3)C(CCC)(CCC)c3c5c(c6c(c3-4)C(CCC)(CCC)c3ccccc3-6)C(CCC)(CCC)c3ccccc3-5)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,515.0
4351,CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4-c3ccc4c(c3)C(CCC)(CCC)c3c5c(c6c(c3-4)C(CCC)(CCC)c3ccccc3-6)C(CCC)(CCC)c3ccccc3-5)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,515.0
12883,N#CC(C(=O)O)=C1c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc(N(c3ccccc3)c3ccccc3)ccc21,ClCCl,449.0
10479,Cc1cc(/C=C/c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
8169,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cccc(Oc4ccccc4)c3)nc2c1,CC#N,305.0
8169,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cccc(Oc4ccccc4)c3)nc2c1,CC1CCCCC1,321.0
8169,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3cccc(Oc4ccccc4)c3)nc2c1,CO,305.0
8126,COC(=O)/C=C/c1sc(-c2ccc(N(C)C)cc2)c(-c2cccnc2)c1N,CC#N,415.0
2819,CCCCCC(CC)COc1ccc(-c2ccc(/C(=C\c3ccc(N4c5ccc(-c6ncc(-c7ccc(/C=C(\C#N)C(=O)O)s7)c7nccnc67)cc5C5CCCC54)cc3)c3ccc(-c4ccc(OCC(CC)CCCCC)cc4OC(CC)CCCCC)cc3)cc2)c(OCC(CC)CCCCC)c1,ClCCl,557.0
3754,CCCCCCCCc1ccc(-n2c3c4ccccc4nnc3c3c2c2nnc4ccccc4c2n3-c2ccc(CCCCCCCC)cc2)cc1,Cc1ccccc1,316.0
4938,CCCCCCc1ccc(-n2c3c4cccc(OC)c4nnc3c3c2c2nnc4c(OC)cccc4c2n3-c2ccc(CCCCCC)cc2)cc1,Cc1ccccc1,392.0
5605,CCCCc1ccc(-n2c3c4cc(F)ccc4nnc3c3c2c2nnc4ccc(F)cc4c2n3-c2ccc(CCCC)cc2)cc1,Cc1ccccc1,315.0
5607,CCCCc1ccc(-n2c3c4ccc(C(F)(F)F)cc4nnc3c3c2c2nnc4cc(C(F)(F)F)ccc4c2n3-c2ccc(CCCC)cc2)cc1,Cc1ccccc1,322.0
12904,N#CC=C(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,405.0
4825,CCCCCCc1cc(-c2sc(-c3sc(-c4ccc5c[n+](CC(=O)O)ccc5c4)cc3CCCCCC)cc2CCCCCC)sc1-c1ccc(N(c2ccc(-c3ccc(OCCCC)cc3OCCCC)cc2)c2ccc(-c3ccc(OCCCC)cc3OCCCC)cc2)cc1,ClC(Cl)Cl,485.0
11655,Cc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,C1CCOC1,343.0
11655,Cc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,CN(C)C=O,343.0
11655,Cc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,ClC(Cl)Cl,343.0
10067,CSc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,CN(C)C=O,364.0
10067,CSc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,ClC(Cl)Cl,364.0
10067,CSc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,C1CCOC1,363.0
8879,COc1cc2cc(/C=C/c3ccc(/C=C/c4ccc(C=C(C#N)C(=O)O)cc4)cc3)c(=O)oc2cc1OC,CC#N,415.0
8878,COc1cc2cc(/C=C/c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)c(=O)oc2cc1OC,CC#N,415.0
9749,COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc2nc(/C=C(\C#N)C(=O)O)ccc2c1,ClC(Cl)Cl,452.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,O,384.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,[2H]OC,390.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,[2H]OCC,390.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,[2H]O[2H],384.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CC#N,390.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CC(C)=O,391.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CCCCO,390.0
633,CC(=O)OC[C@@H]1O[C@H](N2C=CC3=Nc4nc(C)[n+](C)cc4CN3C2=O)[C@@H](O)[C@H]1O,CC#N,386.0
633,CC(=O)OC[C@@H]1O[C@H](N2C=CC3=Nc4nc(C)[n+](C)cc4CN3C2=O)[C@@H](O)[C@H]1O,CCO,388.0
633,CC(=O)OC[C@@H]1O[C@H](N2C=CC3=Nc4nc(C)[n+](C)cc4CN3C2=O)[C@@H](O)[C@H]1O,O,382.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CCCO,390.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CCO,390.0
11669,Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CO,390.0
7000,CC[P](CC)(CC)[Pt](C#Cc1cc(C#Cc2ccc(N(C)C)cc2)cc(C#Cc2ccc3c(c2)C(C)(C)c2ccccc2-3)c1)(C#Cc1ccc(/C=C(/C#N)C(=O)O)s1)[P](CC)(CC)CC,ClCCl,460.0
7001,CC[P](CC)(CC)[Pt](C#Cc1cc(C#Cc2ccc(N(C)C)cc2)cc(C#Cc2ccc3c(c2)C(C)(C)c2ccccc2-3)c1)(C#Cc1ccc(C#C/C=C(/C#N)C(=O)O)s1)[P](CC)(CC)CC,ClCCl,389.0
6762,CCOC(=O)c1cc(N2CCC2)c(C(=O)OCC)cc1N1CCC1,CCCCCC,410.0
6762,CCOC(=O)c1cc(N2CCC2)c(C(=O)OCC)cc1N1CCC1,CCO,401.0
6762,CCOC(=O)c1cc(N2CCC2)c(C(=O)OCC)cc1N1CCC1,CN(C)C=O,404.0
6762,CCOC(=O)c1cc(N2CCC2)c(C(=O)OCC)cc1N1CCC1,CO,398.0
6762,CCOC(=O)c1cc(N2CCC2)c(C(=O)OCC)cc1N1CCC1,CS(C)=O,405.0
6762,CCOC(=O)c1cc(N2CCC2)c(C(=O)OCC)cc1N1CCC1,Cc1ccccc1,412.0
6762,CCOC(=O)c1cc(N2CCC2)c(C(=O)OCC)cc1N1CCC1,ClCCl,406.0
6762,CCOC(=O)c1cc(N2CCC2)c(C(=O)OCC)cc1N1CCC1,O,403.0
8319,COC(=O)c1cc(N2CCC2)ccc1N1CCC1,ClCCl,375.0
13998,O=C1OC(=O)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)c3cccc1c23,CCCCCC,446.0
13998,O=C1OC(=O)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)c3cccc1c23,ClCCl,470.0
13998,O=C1OC(=O)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)c3cccc1c23,c1ccccc1,459.0
13998,O=C1OC(=O)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)c3cccc1c23,C1CCOC1,455.0
14015,O=C1O[B-]2(OC1=O)OC(c1ccc3ccccc3c1)=CC(c1ccc3ccccc3c1)=[O+]2,CC#N,435.0
14015,O=C1O[B-]2(OC1=O)OC(c1ccc3ccccc3c1)=CC(c1ccc3ccccc3c1)=[O+]2,ClC(Cl)(Cl)Cl,438.0
11904,Cn1ccc(-n2cncn2)nc1=O,O,310.0
11633,Cc1cn(C)c(=O)nc1-n1cncn1,O,323.0
5007,CCCCCCn1c(=O)c2c3[nH]c4ccccc4[nH]c3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O,ClCCl,538.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,C1CCOC1,479.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC#N,478.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)=O,474.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)O,493.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCCCC,435.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCCO,499.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCCOC(C)=O,468.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCO,499.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCO,498.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOC(=O)c1ccccc1,481.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOC(C)=O,464.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOCC,448.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CN(C)C=O,486.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CO,500.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CS(C)=O,496.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,Cc1ccccc1,475.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)(Cl)Cl,449.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)Cl,486.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClCCl,484.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,Clc1ccccc1Cl,488.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,S=C=S,489.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,c1ccccc1,475.0
7414,CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,c1ccncc1,488.0
15345,c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)c3ccccc3cc2c1,C1CCOC1,389.0
6442,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccccc3)ccc21,C1CCOC1,379.0
6442,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccccc3)ccc21,CS(C)=O,387.0
6442,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccccc3)ccc21,Cc1ccccc1,382.0
6442,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccccc3)ccc21,ClCCl,384.0
6439,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccc(C#N)cc3)ccc21,C1CCOC1,383.0
6439,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccc(C#N)cc3)ccc21,CS(C)=O,398.0
6439,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccc(C#N)cc3)ccc21,Cc1ccccc1,386.0
6439,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccc(C#N)cc3)ccc21,ClCCl,388.0
6440,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccc(OC)cc3)ccc21,C1CCOC1,381.0
6440,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccc(OC)cc3)ccc21,CS(C)=O,386.0
6440,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccc(OC)cc3)ccc21,Cc1ccccc1,380.0
6440,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3ccc(OC)cc3)ccc21,ClCCl,383.0
3955,CCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCC)c4ccc(C(=O)O)cc4C3(C)C)C2=O)Sc2ccc(OC)cc21,CCO,648.0
3956,CCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCC)c4ccc(C(=O)O)cc4C3(C)C)C2=O)Sc2ccccc21,CCO,640.0
4034,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2ccc(-c3ccccc3)cc21,C1CCOC1,433.0
4031,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2ccc(-c3ccc(OC)cc3)cc21,C1CCOC1,449.0
938,CC(C)(C)c1cc(/C=C/C=C2\N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)c2cc3c4c(c2[o+]1)CCCN4CCC3,CCO,648.0
940,CC(C)(C)c1cc(/C=C/C=C2\N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)c2cc3c4c(c2[o+]1)CCCN4CCC3,CCO,648.0
943,CC(C)(C)c1cc(/C=C/C=C2\N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCC(=O)O)c2cc3c4c(c2[o+]1)CCCN4CCC3,CCO,647.0
944,CC(C)(C)c1cc(/C=C/C=C2\N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)O)cc3C2(C)CCCC(=O)O)c2cc3c4c(c2[o+]1)CCCN4CCC3,CCO,647.0
12999,N#Cc1c(N2CCCCC2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c2c1-c1ccccc1C2=O,C1CCOC1,393.0
6949,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3oc-2c1,ClC(Cl)Cl,610.0
8047,CN1c2ccccc2C(O)(c2ccccc2)c2cc([N+](=O)[O-])ccc21,C1CCOC1,392.4
8047,CN1c2ccccc2C(O)(c2ccccc2)c2cc([N+](=O)[O-])ccc21,CC#N,396.9
8047,CN1c2ccccc2C(O)(c2ccccc2)c2cc([N+](=O)[O-])ccc21,CCO,393.7
8047,CN1c2ccccc2C(O)(c2ccccc2)c2cc([N+](=O)[O-])ccc21,CO,396.0
8047,CN1c2ccccc2C(O)(c2ccccc2)c2cc([N+](=O)[O-])ccc21,CS(C)=O,410.0
8047,CN1c2ccccc2C(O)(c2ccccc2)c2cc([N+](=O)[O-])ccc21,Cc1ccccc1,381.5
14838,c1cc(-c2nc3sc(-c4ccncc4)nc3s2)ccn1,O,357.0
14092,O=C1c2ccccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,404.0
14092,O=C1c2ccccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,CCCCCC,404.0
14092,O=C1c2ccccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,Cc1ccccc1,404.0
14092,O=C1c2ccccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClC(Cl)Cl,404.0
14092,O=C1c2ccccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClCCl,404.0
4058,CCCCCCN1c2ccc(-c3scc4c3OCCO4)cc2Sc2cc(-c3sc(C=C(C#N)C(=O)O)c4c3OCCO4)ccc21,ClCCl,486.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCCCOCCCC,390.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCN(CC)CC,389.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCOC(C)=O,390.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCOCC,386.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CN(C)C=O,390.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,ClCCl,396.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,C1CCOC1,391.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CC#N,390.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CC(C)OC(C)C,389.0
15270,c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCCCCC,386.0
3191,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c(CCCCCCC)c(CCCCCCC)c(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc2c(c1)Sc1cc(-c4ccc(OCCCCCC)cc4)ccc1N2CCCCCC)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,675.0
3192,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c(OCCCCCCC)c(OCCCCCCC)c(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc2c(c1)Sc1cc(-c4ccc(OCCCCCC)cc4)ccc1N2CCCCCC)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,678.0
3190,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c(CCCCCC)cc(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc2c(c1)Sc1cc(-c4ccc(OCCCCCC)cc4)ccc1N2CCCCCC)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,683.0
1828,CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)sc3-4)cc21,CCO,480.0
4619,CCCCCCOc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3cc(OCCCCCC)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)sc3-4)ccc1-2,CCO,491.0
12149,F[Si-](F)(c1ccccc1)(c1ccccc1)c1c2ccccc2cc2ccccc12,C1CCOC1,391.0
10238,C[Si]1(C)c2ccc(-c3ccc(-c4cccs4)s3)cc2C=Cc2cc(-c3ccc(-c4cccs4)s3)ccc21,ClCCl,398.0
3881,CCCCCCCCn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(C(=O)O)s3)c2n1,ClCCl,511.0
3880,CCCCCCCCn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1,ClCCl,520.0
279,C(=C/c1nc(/C=C/c2ccccc2)nc(/C=C/c2ccccc2)n1)\c1ccccc1,ClCCl,327.0
11011,Cc1ccc(-n2c(-c3cccc4cc[n-]c34)[nH+]c3c4ccccc4c4ccccc4c32)cc1,Cc1ccccc1,373.0
5601,CCCCc1ccc(-n2c(-c3ccc4c(c3)Sc3cc(C=C(C#N)C(=O)O)ccc3N4CC)nc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1,ClC(Cl)Cl,465.0
2940,CCCCCCC1CC(C)(CCCCCC)N(C)c2ccc(-c3ccc(/C=C/C4=C/C(=C(\C#N)C(=O)O)CC(C)(C)C4)s3)cc21,ClCCl,473.0
4549,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4cc5sc(C=C(C#N)C(=O)O)cc5s4)c4c3OCCO4)cc2)cc1,ClC(Cl)Cl,552.0
12365,N#C/C(=C\c1cc2sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OCCO4)cc2s1)C(=O)O,ClCCl,501.0
5719,CCCCn1c2ccc(-c3ccc(C=O)cc3)cc2c2cc(-c3ccc(C=O)cc3)ccc21,C1CCOC1,358.0
5719,CCCCn1c2ccc(-c3ccc(C=O)cc3)cc2c2cc(-c3ccc(C=O)cc3)ccc21,CC#N,359.0
5719,CCCCn1c2ccc(-c3ccc(C=O)cc3)cc2c2cc(-c3ccc(C=O)cc3)ccc21,CC(C)=O,356.0
5719,CCCCn1c2ccc(-c3ccc(C=O)cc3)cc2c2cc(-c3ccc(C=O)cc3)ccc21,CCCCCC,350.0
5719,CCCCn1c2ccc(-c3ccc(C=O)cc3)cc2c2cc(-c3ccc(C=O)cc3)ccc21,CS(C)=O,368.0
5719,CCCCn1c2ccc(-c3ccc(C=O)cc3)cc2c2cc(-c3ccc(C=O)cc3)ccc21,Cc1ccccc1,355.0
3811,CCCCCCCCn1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)c(F)c3F)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)c(F)c3F)ccc21,ClC(Cl)Cl,401.0
5063,CCCCCCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc21,CN(C)C=O,362.0
5064,CCCCCCn1c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)cc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc21,CN(C)C=O,362.0
15534,c1cnc2nc(-c3ccc(N4CCCCC4)cc3)nn2c1,ClCCl,349.0
12395,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)OCCO6)c5ccc6c(c5)OCCO6)cc4)s3)s2)cc1)C(=O)O,ClCCl,472.0
3518,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4cc6c(cc4C5(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)-c4sc(-c5ccc(-c7ccc(C(=O)O)cc7)cc5)cc4C6(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(COCCCCCCC)c1,Cc1ccccc1,441.0
3519,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4cc6c(cc4C5(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)-c4sc(-c5ccc(-c7ccc(C(=O)O)cc7)cc5)cc4C6(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(OCCCCCCCC)c1,Cc1ccccc1,441.0
8705,COc1cc(/C=C2\C=C(c3ccccc3)C=C2c2ccccc2)cc(OC)c1,C1CCOC1,436.0
399,C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/c1ccccc1,C1CCOC1,438.0
11976,FC(F)(F)c1ccc(/C=C2\C=C(c3ccccc3)C=C2c2ccccc2)cc1,C1CCOC1,450.0
3946,CCCCCCN1/C(=C\C2=C([O-])/C(=C\C3=[N+](C)c4ccc(-c5sc(/C=C(\C#N)C(=O)O)c6c5OC[C@]5(COc7c(/C=C(\C#N)C(=O)O)sc(-c8ccc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)cc8)c7OC5)CO6)cc4C3)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,660.0
12122,F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,C1CCCCC1,429.0
12122,F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,C1CCOC1,404.0
12122,F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,C1COCCO1,387.0
12122,F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,CCCCCC,427.5
12122,F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,CO,391.0
12122,F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,ClCCl,408.0
7742,CN(C)c1ccc2nc(-c3ccc(C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)cc3)sc2c1,C1CCCCC1,390.0
7742,CN(C)c1ccc2nc(-c3ccc(C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)cc3)sc2c1,CC#N,398.0
7742,CN(C)c1ccc2nc(-c3ccc(C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)cc3)sc2c1,CC(C)O,397.0
7742,CN(C)c1ccc2nc(-c3ccc(C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)cc3)sc2c1,CO,397.0
7742,CN(C)c1ccc2nc(-c3ccc(C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)cc3)sc2c1,CS(C)=O,408.0
7742,CN(C)c1ccc2nc(-c3ccc(C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)cc3)sc2c1,ClC(Cl)Cl,401.0
7742,CN(C)c1ccc2nc(-c3ccc(C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)cc3)sc2c1,c1ccccc1,397.0
565,CB1C=Cc2ccc3ccccc3c2N1c1ccccc1,C1CCCCC1,359.0
10355,Cc1c2c(c(C)c3ccccc13)-c1c-2ccc2nc3ccccc3nc12,ClC(Cl)Cl,455.0
12339,N#C/C(=C\c1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,C1CCOC1,462.0
5032,CCCCCCn1c2c(c3cc(C#Cc4ccc(/C=C(\C#N)C(=O)O)s4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,458.0
1640,CC1(C)CC(/C=C/c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)=C/C(=C(/C#N)C(=O)O)C1,ClC(Cl)Cl,522.0
2760,CCCCC1(CCCC)C(C=C2C(=O)C(c3ccc4c(c3)C3CCCC3N4c3ccc4c(c3)C(C)(C)c3ccccc3-4)=C2[O-])=[N+](CCC(=O)O)c2ccccc21,CS(C)=O,643.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,CO,390.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,CS(C)=O,378.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,O,374.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,CN1CCCC1=O,393.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,C1CCOC1,401.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,CC#N,390.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,CC(C)=O,398.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,CCO,393.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,CCOCC,400.0
14446,O=c1c(Nc2ccccc2)c([O-])c1=[NH+]c1ccccc1,CN(C)C=O,393.0
7910,CN(c1ccccc1)c1c([O-])/c(=[N+](\C)c2ccccc2)c1=O,CN(C)C=O,387.0
14992,c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1,Cc1ccccc1,403.0
4231,CCCCCCOc1ccc(-c2c3ccc(-c4ccc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)s4)cc3c(-c3ccc(OCCCCCC)cc3)c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc23)cc1,ClCCl,499.0
4232,CCCCCCOc1ccc(-c2c3ccc(-c4ccc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)s4)cc3c(-c3ccc(OCCCCCC)cc3)c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc23)cc1,ClCCl,499.0
4774,CCCCCCc1cc(-c2ccc3c(-c4ccc(C(C)(C)C)cc4)c4cc(-c5cc(OCCCCC)c(/C=C(/C#N)C(=O)O)s5)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,490.0
4775,CCCCCCc1cc(-c2ccc3c(-c4ccc(C(C)(C)C)cc4)c4cc(-c5cc(OCCCCC)c(/C=C(\C#N)C(=O)O)s5)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,490.0
4559,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc5c(-c6ccc(C(C)(C)C)cc6)c6cc(-c7cc(OCCCCC)c(/C=C(/C#N)C(=O)O)s7)ccc6c(-c6ccc(C(C)(C)C)cc6)c5c4)cc3CCCCCC)cc2)cc1,ClC(Cl)Cl,494.0
4560,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc5c(-c6ccc(C(C)(C)C)cc6)c6cc(-c7cc(OCCCCC)c(/C=C(\C#N)C(=O)O)s7)ccc6c(-c6ccc(C(C)(C)C)cc6)c5c4)cc3CCCCCC)cc2)cc1,ClC(Cl)Cl,494.0
10688,Cc1cc(C)c(B(c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,355.0
1062,CC(C)(C)c1ccc(-n2c(-c3ccc(-c4cc(-c5ccccc5)c5c6ccccc6c6ccccc6c5c4-c4ccccc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,C1CCOC1,365.0
4635,CCCCCCSC1=C(SCCCCCC)SC(=C(C(=C2SC(SCCCCCC)=C(SCCCCCC)S2)c2ccc(-c3ccc(-c4ccncc4)cc3)s2)c2ccc(-c3ccc(-c4ccncc4)cc3)s2)S1,C1CCOC1,419.0
5274,CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C#N)cc4)nc3c3c(c4ccccc4n3C(=O)O)c21,C1COCCO1,427.0
5275,CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C#N)cc4)nc3c3c(c4ccccc4n3CCCC(=O)O)c21,C1COCCO1,425.0
5276,CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C#N)cc4)nc3c3c(c4ccccc4n3CCCCCC(=O)O)c21,C1COCCO1,431.0
5277,CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C(=O)O)cc4)nc3c3[nH]c4ccccc4c3c21,C1CCOC1,412.0
5277,CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C(=O)O)cc4)nc3c3[nH]c4ccccc4c3c21,C1COCCO1,416.0
5278,CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C(=O)O)cc4)nc3c3c(c4ccccc4n3CCC(=O)O)c21,C1COCCO1,411.0
5279,CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C(=O)O)cc4)nc3c3c(c4ccccc4n3CCCCCC(=O)O)c21,C1COCCO1,417.0
10322,Cc1c(C)c2cc3cc4ccccc4cc3n2c2nc3cc4ccccc4cc3cc12,ClCCl,517.0
14474,O=c1c2cccc3cccc(c32)c2nc3c4ccccc4c4ccccc4c3n12,ClCCl,436.0
3711,CCCCCCCC[N+]1=C(C=C2C(=O)C(c3ccc(-c4ccc5c(c4)Sc4cc(OC[C@@H](CC)CCCC)ccc4N5CCCCCC)s3)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,C1CCOC1,653.0
1812,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5ccccc5c5c4oc4ccccc45)cc3)cc21,C1CCOC1,359.0
9552,COc1ccc(N(c2ccc(C=Cc3ccc(/C=C/c4ccc(N(c5ccc(OC)cc5)c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)cc1,CCO,480.0
14873,c1cc2cc(c1)c1cccc(c1)c1ccc3c(c1)c1cc(ccc1[C@]14OCCO[C@]31OCCO4)c1cccc(c1)c1cccc2c1,ClC(Cl)Cl,255.0
2874,CCCCCCC1(CCCCCC)c2cc(-c3cc4c(s3)c3sc(/C=C(/C#N)C(=O)O)cc3n4-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc21,C1CCOC1,516.0
2876,CCCCCCC1(CCCCCC)c2cc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc21,C1CCOC1,516.0
2396,CCC12C(=C3C(=C4c5ccc(-c6ccc(C(C)=O)cc6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C(C)=O)cc3)cc1S2(=O)=O,C1COCCO1,456.0
2399,CCC12C(=C3C(=C4c5ccc(-c6ccc(CO)cc6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(CO)cc3)cc1S2(=O)=O,C1COCCO1,463.0
2400,CCC12C(=C3C(=C4c5ccc(-c6ccccc6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccccc3)cc1S2(=O)=O,C1COCCO1,456.0
12592,N#C/C(=C\c1ccc2c(c1)Sc1ccccc1N2CCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,C1CCOC1,433.0
12592,N#C/C(=C\c1ccc2c(c1)Sc1ccccc1N2CCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,396.0
1233,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(N(c8ccc(-n9c%10ccc(C(C)(C)C)cc%10c%10cc(C(C)(C)C)ccc%109)cc8)c8ccc(-n9c%10ccc(C(C)(C)C)cc%10c%10cc(C(C)(C)C)ccc%109)cc8)cc7)s6)s5)s4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,450.0
4366,CCCCCCOc1ccc(N(c2ccc(C=C3C(=O)c4cc(C(=O)O)c(C(=O)O)cc4C3=O)cc2)c2ccc(OCCCCCC)cc2)cc1,C1CCOC1,505.0
13687,O=C(O)c1cc2c(cc1C(=O)O)C(=O)C(=Cc1ccc(N(c3ccccc3)c3ccccc3)cc1)C2=O,C1CCOC1,495.0
2287,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)n3C)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21,C1CCOC1,475.0
10682,Cc1cc(C)c(B(c2cc(C#Cc3ccccc3)sc2-c2sc(C#Cc3ccccc3)cc2P(=O)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,CO,400.0
8912,COc1ccc(-c2c(C#N)c3ccccn3c2N)cc1,CN(C)C=O,393.0
12927,N#Cc1c(-c2ccccc2F)c(N)n2ccccc12,CN(C)C=O,383.0
12915,N#Cc1c(-c2ccc(Br)cc2)c(N)n2ccccc12,CN(C)C=O,398.0
12928,N#Cc1c(-c2ccccc2O)c(N)n2ccccc12,CN(C)C=O,392.0
12923,N#Cc1c(-c2ccccc2)c(N)n2ccccc12,CN(C)C=O,398.0
1794,CC1(C)c2ccccc2-c2ccc(C3c4cc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)s5)cc5c4C(CCC5)N3c3ccccc3)cc21,CCO,445.0
1842,CC1(C)c2ccccc2-c2ccc([C@H]3c4cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc5c4[C@H](CCC5)N3c3ccccc3)cc21,CCO,445.0
7336,CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,C1CCOC1,365.0
7336,CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,C1COCCO1,362.0
7336,CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,CC#N,366.0
7336,CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,CCCCCCC,357.0
7336,CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,CCCCCCCCO,362.0
7336,CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,CS(C)=O,380.0
7336,CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,Cc1ccccc1,367.0
7336,CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,ClCCl,373.0
10004,COc1coc2cc(-c3ccc(N(C)C)cc3)ccc2c1=O,C1CCOC1,362.0
10004,COc1coc2cc(-c3ccc(N(C)C)cc3)ccc2c1=O,C1COCCO1,360.0
10004,COc1coc2cc(-c3ccc(N(C)C)cc3)ccc2c1=O,CC#N,363.0
10004,COc1coc2cc(-c3ccc(N(C)C)cc3)ccc2c1=O,CCCCCCC,348.0
10004,COc1coc2cc(-c3ccc(N(C)C)cc3)ccc2c1=O,CCCCCCCCO,373.0
10004,COc1coc2cc(-c3ccc(N(C)C)cc3)ccc2c1=O,CS(C)=O,375.0
10004,COc1coc2cc(-c3ccc(N(C)C)cc3)ccc2c1=O,Cc1ccccc1,361.0
10004,COc1coc2cc(-c3ccc(N(C)C)cc3)ccc2c1=O,ClCCl,368.0
9079,COc1ccc(-c2cnc(-c3cccnc3)o2)cc1OC,ClCCl,330.0
4051,CCCCCCN1c2ccc(-c3ccc4[n+](c3)[B-](F)(F)N3C=CC=CC3=C4C#N)cc2Sc2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc21,C1CCOC1,466.0
1677,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(/C=C/c4ccc(/C=C(/C#N)C(=O)O)s4)s2)c(=O)oc31,CC#N,525.0
1677,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(/C=C/c4ccc(/C=C(/C#N)C(=O)O)s4)s2)c(=O)oc31,CCO,525.0
5222,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(-c4ccccc4)c(/C=C/c4ccc(N(C)C)cc4)nc3c2)cc1,CC#N,462.0
5222,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(-c4ccccc4)c(/C=C/c4ccc(N(C)C)cc4)nc3c2)cc1,ClCCl,468.0
5222,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(-c4ccccc4)c(/C=C/c4ccc(N(C)C)cc4)nc3c2)cc1,C1COCCO1,458.0
7326,CN(C)c1ccc(-c2ccc(/C=C/c3ccncn3)cc2)cc1,ClCCl,386.0
11031,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2ccc(C)cc2)cc1,ClC(Cl)Cl,594.0
11031,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2ccc(C)cc2)cc1,ClCCl,588.0
11032,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2/C=C(/C=C/C=C(C(=O)O)C(=O)O)C(=N2)/C=4c2ccc(C)cc2)cc1,CN(C)C=O,612.0
7068,CCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CC)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(CC)cc2)=C2/C=C(/C=C/C=C(C(=O)O)C(=O)O)C(=N2)/C=4c2ccc(CC)cc2)cc1,CN(C)C=O,612.0
11041,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2\N=C(C=C2/C=C(\C#N)C(=O)O)/C=4c2ccc(C)cc2)cc1,ClCCl,622.0
14658,Oc1ccc(O)c(/C2=C3\C=CC(=N3)/C(c3cc(O)ccc3O)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(O)ccc2O)=C2/C=CC(=N2)/C=4c2cc(O)ccc2O)c1,CCO,424.0
10647,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,586.0
9226,COc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2ccc(OC)cc2)cc1,ClCCl,589.0
9227,COc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(OC)cc2)=C2\N=C(C=C2/C=C(/C#N)C(=O)O)/C=4c2ccc(OC)cc2)cc1,ClCCl,619.0
13525,O=C(O)C(=C/C=C/C1=C/C2=C(\c3ccccc3)c3ccc4n3[Zn]n3/c(cc/c3=C(\c3ccccc3)C1=N2)=C(/c1ccccc1)C1=N/C(=C\4c2ccccc2)C=C1)C(=O)O,CN(C)C=O,610.0
10654,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2c(C)cc(C)cc2C)=C2\N=C(C=C2/C=C(/C#N)C(=O)O)/C=4c2ccc(C(C)(C)C)cc2)c(C)c1,ClCCl,612.0
10658,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2c(C)cc(C)cc2C)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,592.0
10660,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3ccc(NC(=O)CCCC(=O)O)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2c(C)cc(C)cc2C)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,C1CCOC1,550.0
3060,CCCCCCCCCCCCC#CC#CCCCCCCCCCNC(=O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)NCCCCCCCCCC#CC#CCCCCCCCCCCCC)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2ccc(C(=O)NCCCCCCCCCC#CC#CCCCCCCCCCCCC)cc2)cc1,Cc1ccccc1,598.0
10773,Cc1cc(C)cc(/C2=C3\C=CC(=N3)/C(c3cc(C)cc(C)c3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(C)cc(C)c2)=C2/C=C(/C=C/C=C(C(=O)O)C(=O)O)C(=N2)/C=4c2cc(C)cc(C)c2)c1,CN(C)C=O,610.0
5608,CCCCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CCCC)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(CCCC)cc2)=C2/C=C(/C=C/C=C(C(=O)O)C(=O)O)C(=N2)/C=4c2ccc(CCCC)cc2)cc1,CN(C)C=O,611.0
8664,COc1cc(/C2=C3\C=CC(=N3)/C(c3cc(OC)c(OC)c(OC)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CN(C)C=O,606.0
14677,Oc1cccc(/C2=C3\C=CC(=N3)/C(c3cccc(O)c3O)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cccc(O)c2O)=C2/C=CC(=N2)/C=4c2cccc(O)c2O)c1O,CCO,425.0
4627,CCCCCCOc1cccc(OCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCC)cccc1OCCCCCC,ClCCl,594.0
3755,CCCCCCCCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CCCCCCCC)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(CCCCCCCC)cc2)=C2/C=C(/C=C/C=C(C(=O)O)C(=O)O)C(=N2)/C=4c2ccc(CCCCCCCC)cc2)cc1,CN(C)C=O,612.0
1071,CC(C)(C)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(C)(C)C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(C)(C)C)cc2)=C2\N=C(C=C2/C=C(\C#N)C(=O)O)/C=4c2ccc(C(C)(C)C)cc2)cc1,ClCCl,623.0
12324,N#C/C(=C\C1=CC2=N/C1=C(/c1ccccc1)c1ccc3n1[Zn]n1/c(cc/c1=C/2c1ccccc1)=C(/c1ccccc1)C1=N/C(=C\3c2ccccc2)C=C1)C(=O)O,ClCCl,620.0
14629,Oc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(O)c(O)c3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(O)c(O)c2)=C2/C=CC(=N2)/C=4c2ccc(O)c(O)c2)cc1O,CCO,428.0
14630,Oc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(O)cc3O)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(O)cc2O)=C2/C=CC(=N2)/C=4c2ccc(O)cc2O)c(O)c1,CCO,426.0
1377,CC(C)Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CC(C)C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(CC(C)C)cc2)=C2\N=C(C=C2/C=C(\C#N)C(=O)O)/C=4c2ccc(CC(C)C)cc2)cc1,ClCCl,623.0
7060,CCc1cc(CC)c(/C2=C3\C=CC(=N3)/C(c3c(CC)cc(CC)cc3CC)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2c(CC)cc(CC)cc2CC)c(CC)c1,ClCCl,588.0
13710,O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2ccc(C(=O)O)cc2)cc1,CCO,425.0
13719,O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccccc2)=C2/C=CC(=N2)/C=4c2ccccc2)cc1,ClC(Cl)Cl,594.0
13719,O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccccc2)=C2/C=CC(=N2)/C=4c2ccccc2)cc1,ClCCl,583.0
13727,O=C(O)c1ccc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3ccccc3)=C3/C=CC2=N3)/C(c2ccccc2)=C2/C=CC(=N2)/C=4c2ccccc2)cc1,C1CCOC1,595.0
8158,COC(=O)C(NC(=O)CCNc1cccc2ccccc12)c1ccccc1,CCO,330.0
10555,Cc1cc(/C=C/c2ccc3ccccc3c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
3635,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(C)cc1)c1ccc(C)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,644.0
3637,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccccc1)c1ccccc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,641.0
13737,O=C(O)c1ccc(C#C/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N(c3ccccc3)c3ccccc3)=C3/C=CC(=N3)/C=4c3ccccc3)/C(c3ccccc3)=C3/C=CC2=N3)cc1,C1CCOC1,640.0
13738,O=C(O)c1ccc(C#C/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N(c3ccccc3)c3ccccc3)=C3/C=CC(=N3)/C=4c3ccccc3)/C(c3ccccc3)=C3/C=CC2=N3)cc1O,C1CCOC1,640.0
10643,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(C#Cc3c(F)c(F)c(C(=O)O)c(F)c3F)=c3/cc/c4n3[Zn]n3c2ccc3/C(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,641.0
10644,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(C#Cc3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,634.0
13528,O=C(O)C(=Cc1ccc(C#C/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N(c3ccccc3)c3ccccc3)=C3/C=CC(=N3)/C=4c3ccccc3)/C(c3ccccc3)=C3/C=CC2=N3)cc1)C(=O)O,C1CCOC1,642.0
3623,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(/C=C(/O)C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,640.0
12296,N#C/C(=C/c1ccc(C#C/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N(c3ccccc3)c3ccccc3)=C3/C=CC(=N3)/C=4c3ccccc3)/C(c3ccccc3)=C3/C=CC2=N3)cc1)C(=O)O,C1CCOC1,644.0
3759,CCCCCCCCc1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(C(=O)O)cc2)c2ccc(CCCCCCCC)cc2)cc1,C1CCOC1,662.0
12368,N#C/C(=C\c1cc2sc3cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc3c2s1)C(=O)O,ClCCl,472.0
12037,F[B-]1(F)OC(c2ccccc2)=C(c2ccccc2)c2oc3ccccc3[n+]21,C1CCOC1,344.0
6790,CCOC(=O)c1ccc(C2=C(c3ccccc3)c3oc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,350.0
7553,CN(C)c1ccc(C2=C(c3ccccc3)c3oc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,414.0
4112,CCCCCCN1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,464.0
5384,CCCCN1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,455.0
4093,CCCCCCN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,464.0
5382,CCCCN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,455.0
7294,CN(C)c1ccc(-c2c(/C=C3/C=Cc4ccccc4N3Cc3ccccc3)c(=O)c2=O)cc1,C1CCCCC1,358.0
7294,CN(C)c1ccc(-c2c(/C=C3/C=Cc4ccccc4N3Cc3ccccc3)c(=O)c2=O)cc1,Cc1ccccc1,364.0
7294,CN(C)c1ccc(-c2c(/C=C3/C=Cc4ccccc4N3Cc3ccccc3)c(=O)c2=O)cc1,ClCCl,511.0
15095,c1ccc(-c2nc(-c3ccccn3)sc2N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,388.0
14571,OC1(c2ccc(-c3cccs3)s2)CCCC1,C1CCOC1,344.0
14571,OC1(c2ccc(-c3cccs3)s2)CCCC1,CC#N,343.0
14571,OC1(c2ccc(-c3cccs3)s2)CCCC1,CCCCCC,341.0
14571,OC1(c2ccc(-c3cccs3)s2)CCCC1,CCO,342.0
14571,OC1(c2ccc(-c3cccs3)s2)CCCC1,OCCOCCO,347.0
14571,OC1(c2ccc(-c3cccs3)s2)CCCC1,c1ccncc1,348.0
2842,CCCCCC1c2c(C)c(-c3ccc(/C=C(/C#N)C(=O)O)o3)c(C)n2[B-](F)(F)[N+]2=C(C)C(c3ccc4c(c3)Sc3cc(C5=C(C)C6C(CCCCC)c7c(C)c(-c8ccc(/C=C(\C#N)C(=O)O)o8)c(C)n7[B-](F)(F)[N+]6=C5C)ccc3N4CCC)=C(C)C12,ClCCl,555.0
15269,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4n3)cc2)cc1,ClC(Cl)Cl,374.0
15269,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4n3)cc2)cc1,ClCCl,374.0
15317,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4c5cccc6cccc(c7cccc3c74)c65)n2)cc1,C1COCCO1,444.0
15317,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4c5cccc6cccc(c7cccc3c74)c65)n2)cc1,CC#N,444.0
15317,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4c5cccc6cccc(c7cccc3c74)c65)n2)cc1,CCCCOCCCC,444.0
15317,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4c5cccc6cccc(c7cccc3c74)c65)n2)cc1,CCOC(C)=O,443.0
13792,O=C(ON1C(=O)C=CC1=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1,O,496.0
13789,O=C(ON1C(=O)C=CC1=O)c1cc(Cl)c(C(=O)O)c(-c2c3cc(Cl)c(=O)c(Cl)c-3oc3c(Cl)c(O)c(Cl)cc23)c1Cl,O,533.0
13790,O=C(ON1C(=O)C=CC1=O)c1cc(Cl)c(C(=O)O)c(-c2c3cc(Cl)c(=O)cc-3oc3cc(O)c(Cl)cc23)c1Cl,O,521.0
7226,CCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3CC,ClC(Cl)Cl,419.0
2278,CCC(CC)n1c2ccccc2c2cc3c(cc21)c1ccccc1n3C(CC)CC,ClC(Cl)Cl,419.0
14421,O=c1[nH]c2ccccc2[nH]1,CCCCCl,287.0016933
14421,O=c1[nH]c2ccccc2[nH]1,CCCCO,280.00224
14421,O=c1[nH]c2ccccc2[nH]1,CCCO,280.00224
14421,O=c1[nH]c2ccccc2[nH]1,CCCOCCC,280.00224
14421,O=c1[nH]c2ccccc2[nH]1,CCO,280.00224
14421,O=c1[nH]c2ccccc2[nH]1,C1CCOC1,291.0022116
14421,O=c1[nH]c2ccccc2[nH]1,CC#N,281.0014893
14421,O=c1[nH]c2ccccc2[nH]1,CC(C)=O,284.99772
14421,O=c1[nH]c2ccccc2[nH]1,CCCCCCC,291.9963792
7314,CN(C)c1ccc(-c2cc[n+](C)cc2)s1,CCO,468.0
856,CC(C)(C)OC(=O)NC(C(=O)OCc1ccc2c3cccc4cccc(c5cccc1c52)c43)c1c[nH]c2ccccc12,CCO,435.0
120,C(#Cc1cc2ccc3cccc4ccc(c1)c2c34)c1ccccc1,Cc1ccccc1,390.0
8022,CN1CCN(c2cccc(/C=C/c3ncc(-c4ccc(OCc5ccccc5)c(OCc5ccccc5)c4)o3)c2)CC1,ClCCl,354.0
9823,COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccc7ccccc7c6)c(Br)c(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccc5ccccc5c4)=C3Br)ccc2c1,ClCCl,698.0
9824,COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccc7ccccc7c6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccc5ccccc5c4)=C3)ccc2c1,ClCCl,718.0
6179,CCN(CC)c1ccc2cc(-c3cc(-c4ccccc4C(=O)O)c4ccc(N(CC)CC)cc4[o+]3)c(=O)oc2c1,ClCCl,662.0
7597,CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1,CC#N,427.0
7597,CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1,CCOC(C)=O,413.0
7597,CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1,Cc1ccccc1,411.0
11315,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nccnc45)cc3C3CCCC32)cc1,ClCCl,481.0
11302,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nccnc45)cc3C3CCCC32)cc1,ClCCl,411.0
11303,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nccnc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,481.0
10543,Cc1cc(/C=C/c2ccc(Oc3ccc(C=O)cc3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,566.0
10544,Cc1cc(/C=C/c2ccc(Oc3ccc(Cl)cc3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10545,Cc1cc(/C=C/c2ccc(Oc3ccc(F)cc3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,558.0
10546,Cc1cc(/C=C/c2ccc(Oc3cccc(Cl)c3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10547,Cc1cc(/C=C/c2ccc(Oc3ccccc3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
11373,Cc1ccc(Oc2ccc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=CC=CC3=C4)cc2)cc1,CS(C)=O,561.0
10460,Cc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(C)c1Oc1ccccc1,CS(C)=O,559.0
9665,COc1ccc(Oc2ccc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=CC=CC3=C4)cc2)cc1,CS(C)=O,562.0
12046,F[B-]1(F)OC(c2ccccc2)=Nc2sc(-c3ccccc3)n[n+]21,C1CCOC1,332.0
12046,F[B-]1(F)OC(c2ccccc2)=Nc2sc(-c3ccccc3)n[n+]21,CC#N,330.0
12046,F[B-]1(F)OC(c2ccccc2)=Nc2sc(-c3ccccc3)n[n+]21,CCO,328.0
12046,F[B-]1(F)OC(c2ccccc2)=Nc2sc(-c3ccccc3)n[n+]21,CCOC(C)=O,331.0
12046,F[B-]1(F)OC(c2ccccc2)=Nc2sc(-c3ccccc3)n[n+]21,Cc1ccccc1,337.0
12046,F[B-]1(F)OC(c2ccccc2)=Nc2sc(-c3ccccc3)n[n+]21,ClC(Cl)Cl,335.0
12046,F[B-]1(F)OC(c2ccccc2)=Nc2sc(-c3ccccc3)n[n+]21,ClCCl,333.0
6877,CCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)s2)s1,C1CCOC1,402.0
1811,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,452.0
4617,CCCCCCOc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)c3ccc4c(c3)C(C)(C)c3cc(OCCCCCC)ccc3-4)ccc1-2,CCO,462.0
1026,CC(C)(C)c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(/C=C(/C#N)C(=O)O)o4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1,CCO,456.0
1802,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc(-c6ccc(/C=C(\C#N)C(=O)O)s6)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,436.0
12443,N#C/C(=C\c1ccc(-c2ccc(/C=C3/c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)sc43)s2)s1)C(=O)O,C1CCOC1,437.0
8129,COC(=O)/C=C/c1sc(-c2ccc(N(C)C)s2)c(-c2cn(C)c3ccccc23)c1O,CC#N,478.0
6675,CCOC(=O)c1c(/N=C/c2cccs2)sc(/N=C/c2cccs2)c1C(=O)OCC,CC#N,440.0
3319,CCCCCCCCCCc1csc(/C=N/c2sc(/N=C/c3cc(CCCCCCCCCC)cs3)c(C(=O)OCC)c2C(=O)OCC)c1,CC#N,440.0
13321,Nc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,C1CCOC1,443.0
13321,Nc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,CCCCCC,395.0
13321,Nc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,CCOC(C)=O,434.0
13321,Nc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,CCOCC,433.0
13321,Nc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,Cc1ccccc1,417.0
13321,Nc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,ClC(Cl)(Cl)Cl,415.0
13321,Nc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,ClCCl,419.0
13041,N#Cc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1/C=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,433.0
231,C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,386.0
13039,N#Cc1cc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)c2)ccc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,429.0
13042,N#Cc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1/C=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C#N,ClCCl,447.0
1025,CC(C)(C)c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1,CCO,441.0
2175,CC1CC(C)(C)N(C)c2ccc(-c3cc4sc5cc(/C=C(\C#N)C(=O)O)sc5c4s3)cc21,CCO,444.0
10088,C[C@H]1CC(C)(C)N(C)c2ccc(-c3cc4sc5cc(/C=C(\C#N)C(=O)O)sc5c4s3)cc21,CCO,444.0
5403,CCCCN1c2ccccc2Sc2cc(-c3nc4c(-c5ccc(/C=C(\C#N)C(=O)O)cc5)ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c4n3CCCC)ccc21,C1CCOC1,370.0
2019,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(C5OCCCO5)cc4)c4ccc(=[NH2+])cc-4oc3c21,O,545.0
7270,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1,C1CCCCC1,389.0
7270,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1,C1CCOC1,391.0
7270,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1,CC#N,390.0
7270,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1,CC(C)=O,390.0
7270,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1,CCO,371.0
7270,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1,CN(C)C=O,391.0
7270,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1,CO,370.0
7270,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1,ClC(Cl)Cl,393.0
5197,CCCCCc1ccc(C#Cc2cc(C#Cc3ccc(CCCCC)cc3)c3ccc4c(C(=O)c5ccccc5)cc(C#Cc5ccc(CCCCC)cc5)c5ccc2c3c54)cc1,ClCCl,457.0
5326,CCCCN1C(=O)C2=C(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)NC(=O)C2=C1c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1,ClCCl,497.0
10250,C[Si]1(c2ccccc2)C(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2c3ccccc3n(-c3ccccc3)c2c1,C1CCOC1,398.0
858,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,440.0
12951,N#Cc1c(-n2c3ccccc3c3ccccc32)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1-n1c2ccccc2c2ccccc21,Cc1ccccc1,368.0
1193,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C#N,Cc1ccccc1,378.0
3479,CCCCCCCCOc1c2cccc3c(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc4c(OCCCCCCCC)c5cccc6c(-c7ccc(N(c8ccc(C)cc8)c8ccc(C)cc8)cc7)cc1c(c65)c4c32,C1CCOC1,461.0
15140,c1ccc(-c2oc3ccc4c(ccc5oc(-c6ccccc6)c(-c6ccccc6)c54)c3c2-c2ccccc2)cc1,ClCCl,380.0
1077,CC(C)(C)c1ccc(C#Cc2cc(C#Cc3ccc(C(C)(C)C)cc3)c(C#Cc3ccc(C(C)(C)C)cc3)c(C#Cc3ccc(C(C)(C)C)cc3)c2C#Cc2ccc(C(C)(C)C)cc2)cc1,ClCCl,373.0
12207,Fc1ccc(C#Cc2cc(C#Cc3ccc(F)cc3)c(C#Cc3ccc(F)cc3)c(C#Cc3ccc(F)cc3)c2C#Cc2ccc(F)cc2)cc1,ClCCl,371.0
9332,COc1ccc(C#Cc2cc(C#Cc3ccc(OC)cc3)c(C#Cc3ccc(OC)cc3)c(C#Cc3ccc(OC)cc3)c2C#Cc2ccc(OC)cc2)cc1,ClCCl,380.0
116,C(#Cc1cc(C#Cc2ccccc2)c(C#Cc2ccccc2)c(C#Cc2ccccc2)c1C#Cc1ccccc1)c1ccccc1,ClCCl,364.0
15400,c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Cc3ccccc32)c2ccccc12,Cc1ccccc1,440.0
11120,Cc1ccc(C2(c3ccc(C)cc3)c3cccc4c3N3c5c2cccc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(C=C(C#N)C(=O)O)s5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,488.0
11118,Cc1ccc(C2(c3ccc(C)cc3)c3cccc4c3N3c5c2cccc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,488.0
11118,Cc1ccc(C2(c3ccc(C)cc3)c3cccc4c3N3c5c2cccc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,488.0
14478,O=c1c2ccccc2c2c(C#C[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3c(=O)c4ccccc4c3c(C#C[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c12,ClC(Cl)Cl,520.0
14361,O=[N+]([O-])c1ccc(NCCN(Cc2c3ccccc3cc3ccccc23)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,C1CCCCC1,355.0
14361,O=[N+]([O-])c1ccc(NCCN(Cc2c3ccccc3cc3ccccc23)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,C1CCOC1,372.0
14361,O=[N+]([O-])c1ccc(NCCN(Cc2c3ccccc3cc3ccccc23)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CC#N,371.0
14361,O=[N+]([O-])c1ccc(NCCN(Cc2c3ccccc3cc3ccccc23)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CC(C)=O,371.0
14361,O=[N+]([O-])c1ccc(NCCN(Cc2c3ccccc3cc3ccccc23)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CCO,368.0
14361,O=[N+]([O-])c1ccc(NCCN(Cc2c3ccccc3cc3ccccc23)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CN(C)C=O,267.0
14361,O=[N+]([O-])c1ccc(NCCN(Cc2c3ccccc3cc3ccccc23)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,CO,369.0
14361,O=[N+]([O-])c1ccc(NCCN(Cc2c3ccccc3cc3ccccc23)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,ClC(Cl)Cl,355.0
8038,CN1c2cc3nc4cc(Br)c(Br)cc4nc3cc2N(C)C1(C)C,CCO,473.0
8039,CN1c2cc3nc4cc(Cl)c(Cl)cc4nc3cc2N(C)C1(C)C,CCO,471.0
8040,CN1c2cc3nc4cc(F)c(F)cc4nc3cc2N(C)C1(C)C,CCO,457.0
1699,CC1(C)Nc2cc3nc4cc(Br)c(Br)cc4nc3cc2N1,CCO,473.0
1700,CC1(C)Nc2cc3nc4cc(Cl)c(Cl)cc4nc3cc2N1,CCO,471.0
1701,CC1(C)Nc2cc3nc4cc(F)c(F)cc4nc3cc2N1,CCO,440.0
7603,CN(C)c1ccc(C=CC2=CC(=C(C#N)C(=O)O)C=C(C=Cc3ccc(N(C)C)cc3)O2)cc1,ClCCl,459.0
521,C=CCOC(=O)C(C#N)=C1C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N(C)C)cc2)=C1,C1CCOC1,470.0
521,C=CCOC(=O)C(C#N)=C1C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N(C)C)cc2)=C1,C1COCCO1,462.0
521,C=CCOC(=O)C(C#N)=C1C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N(C)C)cc2)=C1,CC#N,476.0
521,C=CCOC(=O)C(C#N)=C1C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N(C)C)cc2)=C1,CN(C)C=O,486.0
521,C=CCOC(=O)C(C#N)=C1C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N(C)C)cc2)=C1,Cc1ccccc1,467.0
521,C=CCOC(=O)C(C#N)=C1C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N(C)C)cc2)=C1,ClC(Cl)Cl,479.0
521,C=CCOC(=O)C(C#N)=C1C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N(C)C)cc2)=C1,ClCCCl,482.0
521,C=CCOC(=O)C(C#N)=C1C=C(/C=C/c2ccc(N(C)C)cc2)OC(/C=C/c2ccc(N(C)C)cc2)=C1,ClCCl,481.0
4621,CCCCCCOc1ccc2c(c1)C1=[N+]3C2=Cc2c4ccc(OCCCCCC)cc4c4n2[B-]3(Oc2ccccc21)Oc1ccccc1-4,C1CCOC1,748.0
10192,C[Si](C)(C)c1sc([Si](C)(C)C)c2c1sc1c2sc2sc3sc4c(sc5c([Si](C)(C)C)sc([Si](C)(C)C)c54)c3c21,ClC(Cl)Cl,332.0
5932,CCN(CC)c1ccc(-c2c3c(n4c2ccc2oc(-c5ccc(C#N)cc5)cc24)C(=O)N(CCCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,459.0
5933,CCN(CC)c1ccc(-c2c3c(n4c2ccc2oc(-c5ccccc5)cc24)C(=O)N(CCCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,424.0
861,CC(C)(C)OC(=O)NCCCN1Cc2c(-c3ccc(C#N)cc3)c3ccc4oc(-c5ccc(C#N)cc5)cc4n3c2C1=O,ClCCl,434.0
862,CC(C)(C)OC(=O)NCCCN1Cc2c(-c3ccc(C#N)cc3)c3ccc4oc(-c5ccccc5)cc4n3c2C1=O,ClCCl,413.0
5937,CCN(CC)c1ccc(-c2cc3c(ccc4c(-c5ccc(C#N)cc5)c5c(n43)C(=O)N(CCCNC(=O)OC(C)(C)C)C5)o2)cc1,ClCCl,431.0
865,CC(C)(C)OC(=O)NCCCN1Cc2c(-c3ccccc3)c3ccc4oc(-c5ccc(C#N)cc5)cc4n3c2C1=O,ClCCl,436.0
866,CC(C)(C)OC(=O)NCCCN1Cc2c(-c3ccccc3)c3ccc4oc(-c5ccccc5)cc4n3c2C1=O,ClCCl,410.0
5938,CCN(CC)c1ccc(-c2cc3c(ccc4c(-c5ccccc5)c5c(n43)C(=O)N(CCCNC(=O)OC(C)(C)C)C5)o2)cc1,ClCCl,423.0
9429,COc1ccc(C2=C3C(C)=CC(C=Cc4ccc(C(=O)OC5C[C@H]6CCC5(C)C6(C)C)cc4)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,Cc1ccccc1,568.0
2523,CCCC1(CCC)c2ccccc2-c2cc(N3c4ccc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)c6nsnc56)cc4C4CCCC43)ccc21,ClCCl,550.0
1460,CC(C)c1cc(C(C)C)c(-c2ccc(-n3c4ccccc4n4c5ccccc5nc34)nc2)c(C(C)C)c1,Cc1ccccc1,345.0
1739,CC1(C)c2cc(C=C(C#N)C(=O)O)ccc2-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc21,C1CCOC1,427.0
263,C(=C/c1ccncn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CS(C)=O,393.0
263,C(=C/c1ccncn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,381.0
263,C(=C/c1ccncn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CC#N,381.0
263,C(=C/c1ccncn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCCCCCC,373.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCOC(C)=O,290.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCOCC,289.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CN(C)C=O,314.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CO,312.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CS(C)=O,320.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,Cc1ccccc1,283.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,ClCCl,294.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,C1CCOC1,293.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,C1COCCO1,284.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CC#N,315.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CC(C)=O,304.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CC(C)O,306.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCCCCC,278.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCCCO,302.0
14075,O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCO,308.0
3504,CCCCCCCCOc1ccc(-c2c3c4n(c(-c5ccc(OCCCCCCCC)cc5)c3c3n2[B-](F)(F)[n+]2c(ccc5ccccc52)N=3)[B-](F)(F)[n+]2c(ccc3ccccc32)N=4)cc1,ClC(Cl)Cl,671.0
7231,CCn1c2ccccc2c2cccc(N(c3ccccc3)c3ccccc3)c21,ClCCl,353.0
5789,CCCN(CCC)c1ccc(-c2nc3c4ccc(OCc5ccccc5)cc4c4cccc2n43)cc1,CO,339.0
15229,c1ccc(COc2ccc3c(c2)c2cccc4c(-c5ccccc5)nc3n42)cc1,CO,469.0
9148,COc1ccc(-c2nc3c4ccc(OCc5ccccc5)cc4c4cccc2n43)cc1,CO,469.0
12441,N#C/C(=C\c1ccc(-c2ccc(/C3=c4\cc/c5n4[Zn]n4c(ccc4/C(c4ccc(-n6c7ccccc7c7ccccc76)cc4)=C4/C=CC3=N4)/C(c3ccc(-n4c6ccccc6c6ccccc64)cc3)=C3/C=CC(=N3)/C=5c3ccc(-n4c5ccccc5c5ccccc54)cc3)s2)s1)C(=O)O,ClCCl,597.0
790,CC(C)(C)CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccc3c4ccc5c6c(ccc(c7cccc2c73)c64)C(=O)OC5=O)cc1,ClCCl,605.0
6640,CCOC(=O)c1[nH]c(C)c(/C=C/c2c(I)c(C)c3n2[B-](F)(F)[N+]2=C(C)C(I)=C(C)C2=C3c2cc(OC)cc(OC)c2)c1C,C1CCOC1,611.0
6640,CCOC(=O)c1[nH]c(C)c(/C=C/c2c(I)c(C)c3n2[B-](F)(F)[N+]2=C(C)C(I)=C(C)C2=C3c2cc(OC)cc(OC)c2)c1C,CS(C)=O,612.0
6640,CCOC(=O)c1[nH]c(C)c(/C=C/c2c(I)c(C)c3n2[B-](F)(F)[N+]2=C(C)C(I)=C(C)C2=C3c2cc(OC)cc(OC)c2)c1C,ClCCl,606.0
209,C(=C/c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,415.0
2365,CCC1(CC)c2ccc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,490.0
2365,CCC1(CC)c2ccc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,490.0
2365,CCC1(CC)c2ccc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC(C)=O,487.0
2365,CCC1(CC)c2ccc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CS(C)=O,498.0
2365,CCC1(CC)c2ccc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,486.0
2365,CCC1(CC)c2ccc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClC(Cl)Cl,509.0
2365,CCC1(CC)c2ccc(/C=C/C3=C(Sc4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,504.0
15486,c1ccc2c3c(ccc2c1)-c1cccc2cc4ccccc4c-3c12,CCCCCCC,446.0
15432,c1ccc2c(c1)c1ccc3cccc4c3c1c2c1c2cccc3ccc5c6ccccc6c(c5c32)c41,ClCCl,625.0
1069,CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)s4)ccc32)cc1,C1CCOC1,428.0
7241,CCn1c2ccsc2c2c3nsnc3c3c4sccc4n(CC)c3c21,C1CCOC1,436.0
7241,CCn1c2ccsc2c2c3nsnc3c3c4sccc4n(CC)c3c21,CCOC(C)=O,433.0
7241,CCn1c2ccsc2c2c3nsnc3c3c4sccc4n(CC)c3c21,CN(C)C=O,441.0
7241,CCn1c2ccsc2c2c3nsnc3c3c4sccc4n(CC)c3c21,Cc1ccccc1,432.0
7241,CCn1c2ccsc2c2c3nsnc3c3c4sccc4n(CC)c3c21,ClCCl,436.0
4316,CCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCC)c(OCCCCCC)c3)c3nsnc23)cc1OCCCCCC,CCOC(C)=O,440.0
4316,CCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCC)c(OCCCCCC)c3)c3nsnc23)cc1OCCCCCC,CN(C)C=O,443.0
4316,CCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCC)c(OCCCCCC)c3)c3nsnc23)cc1OCCCCCC,COc1ccccc1,448.0
4316,CCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCC)c(OCCCCCC)c3)c3nsnc23)cc1OCCCCCC,Cc1ccccc1,448.0
4316,CCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCC)c(OCCCCCC)c3)c3nsnc23)cc1OCCCCCC,ClC(Cl)Cl,447.0
4316,CCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCC)c(OCCCCCC)c3)c3nsnc23)cc1OCCCCCC,ClCCCl,444.0
4316,CCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCC)c(OCCCCCC)c3)c3nsnc23)cc1OCCCCCC,ClCCl,445.0
4316,CCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCC)c(OCCCCCC)c3)c3nsnc23)cc1OCCCCCC,C1CCCCC1,446.0
15447,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nn3c2)cc1,C1CCOC1,341.0
1851,CC1(C)c2ccccc2N(c2cc3c4ccccc4n4c5ccccc5c(c2)c34)c2ccccc21,C1CCOC1,368.0
3313,CCCCCCCCCC[N+]1=C(/C=C2\C([O-])=C(/C=C3/N(CCCC)c4ccc5ccccc5c4C3(C)C)C2=C(C#N)C#N)C(C)(C)c2cc(-c3cc4sc(/C=C(\C#N)C(=O)O)cc4s3)ccc21,ClC(Cl)Cl,720.0
3482,CCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4ccncc4)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1/C=C/c1ccncc1,ClCCl,452.0
8515,COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C(\C#N)c3ccncc3)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C(\C#N)c2ccncc2)cc1,ClCCl,445.0
3123,CCCCCCCCCCCCN1B2c3c4c(cc(-c5ccccc5)c5cccc1c54)cc1cc(-c4ccccc4)c4cccc(c4c31)N2CCCCCCCCCCCC,ClCCl,454.0
14962,c1ccc(-c2cc3cc4cc(-c5ccccc5)c5cccc6c5c4c4c3c3c(cccc23)NB4N6)cc1,ClCCl,450.0
3951,CCCCCCN1B2c3c4c(cc(-c5ccccc5)c5cccc1c54)cc1cc(-c4ccccc4)c4cccc(c4c31)N2CCCCCC,ClCCl,454.0
2327,CCC1(CC)c2cc(/C=C/c3cc(Br)c(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3Br)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,C1CCOC1,439.9145299
2327,CCC1(CC)c2cc(/C=C/c3cc(Br)c(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3Br)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,CC#N,435.8119658
2327,CCC1(CC)c2cc(/C=C/c3cc(Br)c(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3Br)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,CCCCCC,433.4188034
2327,CCC1(CC)c2cc(/C=C/c3cc(Br)c(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3Br)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,Cc1ccccc1,439.9145299
2327,CCC1(CC)c2cc(/C=C/c3cc(Br)c(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3Br)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,ClCCl,426.0
2328,CCC1(CC)c2cc(/C=C/c3cc(C#N)c(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3C#N)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,ClCCl,419.0
2330,CCC1(CC)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,C1CCOC1,444.7278912
2330,CCC1(CC)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,CC#N,441.4965986
2330,CCC1(CC)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,CCCCCC,440.6462585
2330,CCC1(CC)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,Cc1ccccc1,446.4285714
2330,CCC1(CC)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CC)(CC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)cc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,ClCCl,418.0
3155,CCCCCCCCCCCCOc1cc(/C=C/c2ccc3c(c2)C(CC)(CC)c2cc(N4c5ccccc5Sc5ccccc54)ccc2-3)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc2c(c1)C(CC)(CC)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2,C1CCOC1,442.4137931
3155,CCCCCCCCCCCCOc1cc(/C=C/c2ccc3c(c2)C(CC)(CC)c2cc(N4c5ccccc5Sc5ccccc54)ccc2-3)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc2c(c1)C(CC)(CC)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2,CC#N,436.7241379
3155,CCCCCCCCCCCCOc1cc(/C=C/c2ccc3c(c2)C(CC)(CC)c2cc(N4c5ccccc5Sc5ccccc54)ccc2-3)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc2c(c1)C(CC)(CC)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2,CCCCCC,436.3793103
3155,CCCCCCCCCCCCOc1cc(/C=C/c2ccc3c(c2)C(CC)(CC)c2cc(N4c5ccccc5Sc5ccccc54)ccc2-3)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc2c(c1)C(CC)(CC)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2,Cc1ccccc1,442.9310345
3155,CCCCCCCCCCCCOc1cc(/C=C/c2ccc3c(c2)C(CC)(CC)c2cc(N4c5ccccc5Sc5ccccc54)ccc2-3)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc2c(c1)C(CC)(CC)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2,ClCCl,420.0
4888,CCCCCCc1cc2c(=O)c3cc(CCCCCC)cc4c(=O)c5cc(CCCCCC)cc6c(=O)c(c1)c2n(c34)c65,ClCCl,424.0
7684,CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2C#Cc1ccccc1,O,680.0
7684,CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2C#Cc1ccccc1,CO,677.0
12390,N#C/C(=C\c1ccc(-c2ccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc2)cc1)C(=O)O,ClCCl,380.5
14882,c1cc2ccc1-c1ccc(cc1)-c1sc(c3c1OCCO3)-c1ccc(cc1)-c1ccc(cc1)-c1sc(c3c1OCCO3)-c1ccc(cc1)-c1ccc(cc1)-c1sc-2c2c1OCCO2,C1CCOC1,371.0
10179,C[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([Si](C)(C)C)cc5)cc4)c4nsnc34)cc2)cc1,C1CCOC1,401.0
215,C(=C/c1cc[n+](Cc2ccccc2)cc1)\c1cc[n+](Cc2ccccc2)cc1,CC#N,324.0
8296,COC(=O)c1cc(/C=C/c2ccccc2)n2ccccc12,ClCCl,368.0
14027,O=C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21,C1CCOC1,337.0
8346,COC(=O)c1ccc(-c2ccc3c(c2)C(=O)c2cc(-c4ccc(C(=O)OC)cc4)ccc2-3)cc1,C1CCOC1,342.0
681,CC(=O)c1ccc(-c2ccc3c(c2)C(=O)c2cc(-c4ccc(C(C)=O)cc4)ccc2-3)cc1,C1CCOC1,343.0
14130,O=Cc1ccc(-c2ccc3c(c2)C(=O)c2cc(-c4ccc(C=O)cc4)ccc2-3)cc1,C1CCOC1,344.0
2161,CC1=[N+]2C(=Cc3c4c(cn3[B-]2(F)F)-c2nc-4c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C(C)C1,ClCCl,640.0
242,C(=C/c1ccc(N2CCCCC2)c2nsnc12)\c1ccncc1,ClCCl,470.0
13826,O=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,Cc1ccccc1,340.0
6712,CCOC(=O)c1c2c3c(ccc(Br)c3c3cc4c(cc13)[Si](C)(C)O[Si]4(C)C)N(C)C2=O,CC#N,382.0
6714,CCOC(=O)c1c2c3c(ccc(C)c3c3cc4c(cc13)[Si](C)(C)O[Si]4(C)C)N(C)C2=O,CC#N,380.0
6716,CCOC(=O)c1c2c3c(ccc(Cl)c3c3cc4c(cc13)[Si](C)(C)O[Si]4(C)C)N(C)C2=O,CC#N,378.0
6718,CCOC(=O)c1c2c3c(ccc(F)c3c3cc4c(cc13)[Si](C)(C)O[Si]4(C)C)N(C)C2=O,CC#N,380.0
6720,CCOC(=O)c1c2c3c(ccc(OC)c3c3cc4c(cc13)[Si](C)(C)O[Si]4(C)C)N(C)C2=O,CC#N,378.0
6722,CCOC(=O)c1c2c3c(ccc([N+](=O)[O-])c3c3cc4c(cc13)[Si](C)(C)O[Si]4(C)C)N(C)C2=O,CC#N,376.0
6724,CCOC(=O)c1c2c3c(cccc3c3cc4c(cc13)[Si](C)(C)O[Si]4(C)C)N(C)C2=O,CC#N,376.0
10275,Cc1c(-c2ccc(CCC(=O)O)cc2)c(/C=C/C2=C(C#N)C(=C(C#N)C#N)OC2(C)C)n2ccccc12,ClCCl,636.0
9905,COc1cccc(C2=C(c3cccc(OC)c3)c3cc(C(C)(C)C)cc4c(-c5cccc(OC)c5)c(-c5cccc(OC)c5)nc(c34)O2)c1,ClCCl,390.0
9559,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c(C)c4n(c3C)[B-](F)(F)[N+]3=C(C)C(c5ccc(-c6cc[n+]([O-])cc6)s5)=C(C)C3=C4C)cc2)cc1,ClC(Cl)Cl,537.0
12114,F[B-]1(F)n2c(ccc2-n2cccn2)C(c2cccnc2)=C2C=CC(n3cccn3)=[N+]21,ClCCl,565.0
4760,CCCCCCc1cc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)sc1-c1cc(CCCCCC)c(-c2sc(C=C(C#N)C(=O)O)c3c2OCCO3)s1,ClC(Cl)Cl,512.0
289,C(=C/c1nc2ccccc2s1)\c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1,ClCCl,384.0
289,C(=C/c1nc2ccccc2s1)\c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1,C1CCOC1,386.0
289,C(=C/c1nc2ccccc2s1)\c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1,CC#N,380.0
289,C(=C/c1nc2ccccc2s1)\c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1,CO,375.0
6368,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4sc(-c5ccc6c(c5)CCN6c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)nc4c3)c(=O)n2CC(=O)O)SC1=S,ClCCl,390.0
7439,CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1,CC(C)=O,522.0
7439,CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1,CO,523.0
7439,CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1,ClCCl,556.0
9285,COc1ccc(/C=C/c2ccc3ccccc3[nH+]2)cc1,ClC(Cl)Cl,412.0
3716,CCCCCCCC[Si]1(CCCCCCCC)c2ccsc2-c2sc(/C=C(\C#N)C(=O)O)cc21,C1CCOC1,409.0
6614,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(N2CCCCC2)cc1,Cc1ccccc1,520.0
6614,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(N2CCCCC2)cc1,CC#N,523.0
6614,CCOC(=O)CN1C(=O)C2=C(c3ccc(N4CCCCC4)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(N2CCCCC2)cc1,CS(C)=O,540.0
9707,COc1ccc2c(c1)CCC1=C(c3ccccc3)C3=C(c4ccc5cccc(O)c5n4)c4c(-c5ccccc5)c5c(n4[B-](F)(F)[N+]3=C12)-c1ccc(OC)cc1CC5,O,660.0
2750,CCCCC(CC)Cn1c2ccccc2c2ccc3c4cc(-c5cc6sc(-c7ccc(/C=C(\C#N)C(=O)O)s7)cc6s5)ccc4n(CC(CC)CCCC)c3c21,ClC(Cl)Cl,479.0
3475,CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(N(c3ccccc3)c3ccccc3)s2)c2nsnc2c1-c1ccc(/C=C(/C#N)C(=O)O)o1,ClCCl,525.0
13629,O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)s2)SC1=S,ClC(Cl)Cl,548.0
3640,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)s2)=c2/cc/c3n2[Zn]n2c(ccc21)/C=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClC(Cl)Cl,449.0
15316,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cc4ccc5cccc6ccc(c3)c4c56)n2)cc1,CO,336.0
15316,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cc4ccc5cccc6ccc(c3)c4c56)n2)cc1,CC#N,336.0
15316,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cc4ccc5cccc6ccc(c3)c4c56)n2)cc1,CCCCOCCCC,336.0
5711,CCCCn1c2ccc(-c3ccc(-c4ccc(O)c(O)c4)s3)cc2c2cc(-c3ccc(-c4ccc(O)c(O)c4)s3)ccc21,C1COCCO1,370.0
5710,CCCCn1c2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)s3)cc2c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)s3)ccc21,C1COCCO1,383.0
1850,CC1(C)c2ccccc2N(c2cc(C#N)c(C#N)cc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,494.0
14879,c1cc2ccc1-c1ccc(cc1)-c1ccc([se]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc([se]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2[se]1,C1CCOC1,365.0
3821,CCCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5cc(C=C(C#N)C(=O)O)ccc5n6CCCCCCCC)cc4)c4ccc(C)cc4C)cc3)ccc21,ClC(Cl)Cl,403.0
2718,CCCCC(CC)Cn1c2cc(C#N)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)cc21,ClCCl,420.0
5716,CCCCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2cc(-c3ccc(-c4ccc(OC)cc4)s3)ccc21,ClCCl,436.0
4519,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(-c7ccc(C=C(C#N)C(=O)O)cc7)cc6)=C5C(=O)N4CC(CC)CCCC)s3)cc2)cc1,C1CCOC1,560.0
12683,N#CC(=Cc1ccc(-c2ccc(C(=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1)C(=O)O,ClCCl,309.0
15264,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5O4)c4ccccc4-c4ccccc43)cc2)cc1,ClCCl,345.0
11271,Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(/C=C/c5ccc(/C=C(\C#N)C(=O)O)cc5)cc4)c4ccc(C)cc4C)cc3)cc2)c(C)c1,C1CCOC1,447.0
3148,CCCCCCCCCCCCN1c2ccccc2Oc2cc(/C=C/c3ccc(/C=c4\s/c(=C5/SC(=S)N(CCCCCCCC)C5=O)n(CC(=O)O)c4=O)s3)ccc21,CCO,568.0
3148,CCCCCCCCCCCCN1c2ccccc2Oc2cc(/C=C/c3ccc(/C=c4\s/c(=C5/SC(=S)N(CCCCCCCC)C5=O)n(CC(=O)O)c4=O)s3)ccc21,ClCCl,568.0
15310,c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc1,ClCCl,437.0
13402,Nc1ccc2c3c(c(=O)oc2c1S(=O)(=O)[O-])CCC3C(CC(=O)NCCCC(=O)O)S(=O)(=O)[O-],O,353.0
2589,CCCCC(CC)CN1C(=O)c2c(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)c(F)c4)s3)sc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CC(CC)CCCC)s3)c2C1=O,C1CCOC1,462.0
8298,COC(=O)c1cc(=O)n(C)c2cc(-c3cc(OC)c(OC)c(OC)c3)sc12,CC#N,398.0
8298,COC(=O)c1cc(=O)n(C)c2cc(-c3cc(OC)c(OC)c(OC)c3)sc12,ClCCl,400.0
671,CC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N(C)C)cc3)sc12,CC#N,440.0
671,CC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N(C)C)cc3)sc12,ClCCl,448.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,C1CCOC1,436.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CC#N,436.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CCO,444.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CN(C)C=O,442.0
8300,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N(C)C)cc3)sc12,CC#N,428.0
8300,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N(C)C)cc3)sc12,ClCCl,434.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CO,444.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CS(C)=O,446.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,C1CCOC1,402.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,ClCCl,442.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,Cc1ccccc1,434.0
5942,CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,ClC(Cl)Cl,442.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CC#N,396.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CCO,400.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CN(C)C=O,402.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CO,396.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CS(C)=O,404.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,Cc1ccccc1,402.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,ClC(Cl)Cl,400.0
8302,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,ClCCl,400.0
8306,COC(=O)c1cc(=O)n(C)c2cc(-c3cccc(N(C)C)c3)sc12,CC#N,396.0
8306,COC(=O)c1cc(=O)n(C)c2cc(-c3cccc(N(C)C)c3)sc12,ClCCl,396.0
8307,COC(=O)c1cc(=O)n(C)c2cc(-c3cccc(OC)c3)sc12,CC#N,394.0
8307,COC(=O)c1cc(=O)n(C)c2cc(-c3cccc(OC)c3)sc12,ClCCl,394.0
8308,COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3)sc12,CC#N,392.0
8308,COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3)sc12,ClCCl,394.0
8309,COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3N(C)C)sc12,CC#N,402.0
8309,COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3N(C)C)sc12,ClCCl,406.0
8310,COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3OC)sc12,CC#N,396.0
8310,COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3OC)sc12,ClCCl,398.0
8996,COc1ccc(-c2cc3c(ccc(=O)n3C)s2)cc1,CC#N,376.0
8996,COc1ccc(-c2cc3c(ccc(=O)n3C)s2)cc1,ClCCl,378.0
9010,COc1ccc(-c2cc3c(s2)c(C(C)=O)cc(=O)n3C)cc1,CC#N,412.0
9010,COc1ccc(-c2cc3c(s2)c(C(C)=O)cc(=O)n3C)cc1,ClCCl,418.0
9012,COc1ccc(-c2cc3c(s2)c(C)cc(=O)n3C)cc1,CC#N,374.0
9012,COc1ccc(-c2cc3c(s2)c(C)cc(=O)n3C)cc1,ClCCl,376.0
12494,N#C/C(=C\c1ccc(-c2nnc(-c3c4ccccc4cc4ccccc34)o2)s1)C(=O)O,ClC(Cl)Cl,400.0
4436,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4sc(-c5sc(/C=C(/C#N)C(=O)O)c6c5OCCO6)c(C)c4s3)cc2)cc1,ClC(Cl)Cl,494.0
14375,O=[N+]([O-])c1ccc([N+]2=Cc3ccc4ccccc4c3O[B-]2(F)F)cc1,ClCCl,430.0
1241,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,396.0
10541,Cc1cc(/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,567.0
2517,CCCC1(CCC)c2ccccc2-c2c1c1c(c3c2C(CCC)(CCC)c2cc(N(c4ccc(/C=C/c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)c4ccc5c(c4)C(CCC)(CCC)c4c6c(c7c(c4-5)C(CCC)(CCC)c4ccccc4-7)Cc4ccccc4-6)ccc2-3)Cc2ccccc2-1,ClCCl,540.0
5566,CCCC[C@H](CC)Cn1c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2c2cc3c4cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc4n(C[C@H](CC)CCCC)c3cc21,ClCCl,467.0
2729,CCCCC(CC)Cn1c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2c2cc3c4cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc4n(CC(CC)CCCC)c3cc21,ClCCl,467.0
12676,N#CC(=Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)s2)s1)C(=O)O,CN(C)C=O,511.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,C1CCCCC1,418.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,CC#N,419.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,CC(C)O,417.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,CCC(C)=O,420.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,CCO,410.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,CCOC(C)=O,417.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,CS(C)=O,428.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,Cc1ccccc1,426.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,ClCCl,426.0
1346,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)CCCC3=O,Clc1ccccc1,427.0
11765,Clc1ccc(/C=C/c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1,C1CCOC1,376.0
11765,Clc1ccc(/C=C/c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1,CC#N,368.0
11765,Clc1ccc(/C=C/c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1,CO,360.0
11765,Clc1ccc(/C=C/c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1,ClCCl,377.0
818,CC(C)(C)NC(=O)c1ccc(-c2cc3ccccc3o2)c2ccc3c4ccccc4c4ccccc4c3c12,ClCCl,364.0
5729,CCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3ccc(-c4ccc(OC)cc4)s3)ccc21,ClCCl,408.0
3215,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccnc(O)c1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,643.0
3216,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccncc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,643.0
3214,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccnc(C(=O)O)c1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,650.0
2275,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5cccs5)n4[B-](F)(F)[n+]4nnn(c43)[B-](F)(F)[N+]2=C1c1cccs1,C1CCOC1,784.0
2275,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5cccs5)n4[B-](F)(F)[n+]4nnn(c43)[B-](F)(F)[N+]2=C1c1cccs1,ClCCl,795.0
9694,COc1ccc2c(c1)-c1cc3c(cc1[Si]2(c1ccccc1)c1ccccc1)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1,ClCCl,334.0
15336,c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)-c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1,ClCCl,328.0
7003,CC[P](CC)(CC)[Pt](C#Cc1ccc(C=C(C#N)C(=O)O)cc1)(C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)[P](CC)(CC)CC,C1CCOC1,357.0
14293,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)s3)s2)cc1,ClC(Cl)Cl,444.0
14293,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)s3)s2)cc1,ClCCl,446.0
14293,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)s3)s2)cc1,C1CCOC1,443.0
14293,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)s3)s2)cc1,Cc1ccccc1,442.0
4651,CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc23)S1,ClCCl,421.0
12408,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,ClCCl,424.0
4321,CCCCCCOc1ccc(C2(c3ccc(OCCCCCC)cc3)c3cc4c(cc3-c3sc(/C=C(\C#N)C(=O)O)cc32)C(c2ccc(OCCCCCC)cc2)(c2ccc(OCCCCCC)cc2)c2cc(N(c3ccc(C)cc3)c3cccc(C)c3)sc2-4)cc1,C1CCOC1,500.0
4322,CCCCCCOc1ccc(C2(c3ccc(OCCCCCC)cc3)c3cc4c(cc3-c3sc(/C=C(\C#N)C(=O)O)cc32)C(c2ccc(OCCCCCC)cc2)(c2ccc(OCCCCCC)cc2)c2cc(N(c3ccc(OC)cc3)c3cccc(OC)c3)sc2-4)cc1,C1CCOC1,520.0
4323,CCCCCCOc1ccc(C2(c3ccc(OCCCCCC)cc3)c3cc4c(cc3-c3sc(/C=C(\C#N)C(=O)O)cc32)C(c2ccc(OCCCCCC)cc2)(c2ccc(OCCCCCC)cc2)c2cc(N(c3ccccc3)c3ccccc3)sc2-4)cc1,C1CCOC1,490.0
5041,CCCCCCn1c2cc(/C=C(\C#N)C(=O)O)sc2c2sc(-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)cc21,CN(C)C=O,531.0
4591,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(N(c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5CCCCCC)cc3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3c5c(c6c(c3-4)C(CCCCCC)(CCCCCC)c3ccccc3-6)C(CCCCCC)(CCCCCC)c3ccccc3-5)cc2)cc1,CN(C)C=O,543.0
7464,CN(C)c1ccc(/C=C/c2ncccn2)cc1,ClCCl,379.0
2004,CC1=CC(C)(C)N(CCCS(=O)(=O)O)c2cc3[o+]c(C(C)(C)C)cc(/C=C/C=C4\N(CCCS(=O)(=O)[O-])c5ccc(S(=O)(=O)O)cc5C4(C)CCCC(=O)O)c3cc21,CCO,653.0
942,CC(C)(C)c1cc(/C=C/C=C2\N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCC(=O)O)c2cc3c(cc2[o+]1)N(CCCS(=O)(=O)[O-])C(C)(C)C=C3CS(=O)(=O)O,CCO,653.0
6422,CCN1c2cc3[o+]c(C(C)(C)C)cc(/C=C/C=C4\N(CCCCCC(=O)O)c5ccc(S(=O)(=O)O)cc5C4(C)C)c3cc2C(C)=CC1(C)C,CCO,656.0
6423,CCN1c2cc3[o+]c(C(C)(C)C)cc(/C=C/C=C4\N(CCCCCC(=O)O)c5ccc(S(=O)(=O)[O-])cc5C4(C)C)c3cc2C(C)=CC1(C)C,CCO,656.0
6424,CCN1c2cc3[o+]c(C(C)(C)C)cc(/C=C/C=C4\N(CCCS(=O)(=O)[O-])c5ccc([S](=O)([O-])=O)cc5C4(C)CCCC(=O)O)c3cc2C(C)=CC1(C)C,CCO,655.0
3245,CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccc(C=C(c5ccccc5)c5ccccc5)cc4C4C5CCC(C5)C43)cc2)sc1-c1cc2sc(/C=C(/C#N)C(=O)O)cc2s1,ClCCl,489.0
9203,COc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C(C)(C)C(c4ccc(/C=C(\C#N)C(=O)O)s4)=N5)c4ccc5c(c4)c4ccccc4n5-c4ccc(OC)cc4)ccc32)cc1,C1CCOC1,513.0
2807,CCCCC1=C(CCCC)c2ccccc2B2Nc3ccccc3C=C21,ClCCl,386.0
6070,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/C=C/c1ccc(N(C)C)cc1)CCC3,ClCCl,749.0
1441,CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4ccccc43)nc12)(C(C)C)C(C)C,CCCCCC,411.0
15007,c1ccc(-c2cccc3cnc(-c4ccccc4)n23)cc1,ClCCl,337.0
1046,CC(C)(C)c1ccc(-c2ncc3cccc(-c4ccccc4)n23)cc1,ClCCl,339.0
9062,COc1ccc(-c2cccc3cnc(-c4ccc(C#N)cc4)n23)cc1,ClCCl,329.0
9063,COc1ccc(-c2cccc3cnc(-c4ccccc4)n23)cc1,ClCCl,332.0
10962,Cc1ccc(-c2cccc3cnc(-c4ccccc4)n23)cc1,ClCCl,341.0
9163,COc1ccc(-c2ncc3cccc(-c4ccc(C(C)=O)cc4)n23)cc1,ClCCl,366.0
9164,COc1ccc(-c2ncc3cccc(-c4ccccc4)n23)cc1,ClCCl,341.0
11745,Clc1ccc(-c2cccc3cnc(-c4ccccc4)n23)cc1,ClCCl,338.0
13103,N#Cc1ccc(-c2ncc3cccc(-c4ccccc4)n23)cc1,ClCCl,331.0
682,CC(=O)c1ccc(-c2cccc3cnc(-c4ccccc4)n23)cc1,ClCCl,358.0
12190,Fc1ccc(-c2cccc3cnc(-c4ccccc4)n23)cc1,ClCCl,336.0
7355,CN(C)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c3ccccc3n2)cc1,ClCCl,384.0
5123,CCCCCCn1c2ccccc2c2cc(C(c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5(CCCCCC)CCCCCC)cc3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3c5c(c6c(c3-4)C(CCCCCC)(CCCCCC)c3ccccc3-6)C(CCCCCC)(CCCCCC)c3ccccc3-5)ccc21,ClCCl,551.0
7053,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,CO,525.0
7053,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,ClCCl,531.0
7052,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C(SC#N)=CC1=C2C,CC#N,562.0
7052,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C(SC#N)=CC1=C2C,CCCCCC,572.0
7052,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C(SC#N)=CC1=C2C,CCOC(C)=O,565.0
7052,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C(SC#N)=CC1=C2C,CO,562.0
7052,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C(SC#N)=CC1=C2C,ClCCl,568.0
7053,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,CC#N,524.0
7053,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,CCCCCC,534.0
7053,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,CCOC(C)=O,527.0
13161,N#Cc1ccc(N/N=C/c2cc(Cl)ccc2O)cc1,CO,354.0
13162,N#Cc1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1,CO,336.0
5991,CCN(CC)c1ccc(/C=N/Nc2ccc(C#N)cc2)c(O)c1,CC#N,382.0
5991,CCN(CC)c1ccc(/C=N/Nc2ccc(C#N)cc2)c(O)c1,CCCCCC,384.0
5991,CCN(CC)c1ccc(/C=N/Nc2ccc(C#N)cc2)c(O)c1,CO,368.0
5991,CCN(CC)c1ccc(/C=N/Nc2ccc(C#N)cc2)c(O)c1,CS(C)=O,391.0
5991,CCN(CC)c1ccc(/C=N/Nc2ccc(C#N)cc2)c(O)c1,ClC(Cl)Cl,373.0
10181,C[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([Si](C)(C)C)s5)cc4)c4nsnc34)cc2)s1,C1CCOC1,415.0
7633,CN(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,485.0
14029,O=C1c2cc(-n3c4ccccc4c4ccccc43)ccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClC(Cl)Cl,406.0
14029,O=C1c2cc(-n3c4ccccc4c4ccccc43)ccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClCCl,406.0
14029,O=C1c2cc(-n3c4ccccc4c4ccccc43)ccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,406.0
14029,O=C1c2cc(-n3c4ccccc4c4ccccc43)ccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,CCCCCC,406.0
14029,O=C1c2cc(-n3c4ccccc4c4ccccc43)ccc2S(=O)(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21,Cc1ccccc1,406.0
4802,CCCCCCc1cc(-c2ccc3c(c2)c2ccccc2n3CC)sc1-c1sc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1CCCCCC,ClCCl,440.0
4836,CCCCCCc1cc(-c2sc(-c3sc(/C=C(/C#N)C(=O)O)cc3CCCCCC)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC,ClC(Cl)Cl,463.0
4862,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c(c3)c3ccccc3n4CC)cc2CCCCCC)s1,ClC(Cl)Cl,492.0
4838,CCCCCCc1cc(-c2sc(-c3sc(/C=C(\C#N)C(=O)O)cc3CCCCCC)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC,ClC(Cl)Cl,453.0
5564,CCCC[C@H](CC)Cc1cc(-c2sc(-c3sc(-c4ccc5c(c4)c4ccccc4n5CC)cc3C[C@@H](CC)CCCC)cc2C[C@@H](CC)CCCC)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,470.0
5565,CCCC[C@H](CC)Cc1cc(-c2sc(-c3sc(/C=C(/C#N)C(=O)O)cc3C[C@@H](CC)CCCC)cc2C[C@H](CC)CCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC,ClC(Cl)Cl,451.0
7176,CCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)s3)ccc21,ClC(Cl)Cl,443.0
2684,CCCCC(CC)Cc1cc(-c2sc(-c3sc(-c4ccc5c(c4)c4ccccc4n5CC)cc3CC(CC)CCCC)cc2CC(CC)CCCC)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,470.0
2685,CCCCC(CC)Cc1cc(-c2sc(-c3sc(/C=C(/C#N)C(=O)O)cc3CC(CC)CCCC)cc2CC(CC)CCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC,ClC(Cl)Cl,451.0
4823,CCCCCCc1cc(-c2sc(-c3sc(-c4ccc5c(c4)c4ccccc4n5CC)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,471.0
13595,O=C(O)CN1C(=O)/C(=C/c2cc3c4c(c2)CCCN4CCC3)SC1=S,CCO,540.0
8600,COc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc2c3c1CCCN3CCC2,CC#N,493.0
413,C1=C2B(Nc3ccccc31)c1sccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,382.0
6631,CCOC(=O)CSc1nc(-c2ccccc2)c(C)c(C#N)c1C#N,CCOC(C)=O,366.0
6631,CCOC(=O)CSc1nc(-c2ccccc2)c(C)c(C#N)c1C#N,ClC(Cl)Cl,376.0
6631,CCOC(=O)CSc1nc(-c2ccccc2)c(C)c(C#N)c1C#N,c1ccccc1,372.0
6630,CCOC(=O)CSc1nc(-c2ccc(OC)cc2)c(C)c(C#N)c1C#N,c1ccccc1,374.0
6631,CCOC(=O)CSc1nc(-c2ccccc2)c(C)c(C#N)c1C#N,C1COCCO1,350.0
6631,CCOC(=O)CSc1nc(-c2ccccc2)c(C)c(C#N)c1C#N,CC#N,365.0
6631,CCOC(=O)CSc1nc(-c2ccccc2)c(C)c(C#N)c1C#N,CCO,367.0
4397,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc6cc(/C=C(/C#N)C(=O)O)c(=O)[nH]c6c5)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,469.0
4399,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc6cc(C(=O)O)c(=O)[nH]c6c5)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,504.0
4401,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc6cc(C=C(C#N)C#N)c(=O)[nH]c6c5)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,470.0
4402,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc6cc(C=O)c(=O)[nH]c6c5)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,518.0
5555,CCCC[C@H](CC)COc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(OC[C@@H](CC)CCCC)cc4)ccc2N3[C@H]2C=CC(c3ccc(C(=O)O)cc3)=CC2)cc1,C1CCOC1,290.0
7158,CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc3n(CC)c21,C1CCOC1,422.0
15491,c1ccc2cc(-c3c4ccccc4c(-c4nccc5ccccc45)c4ccccc34)ccc2c1,ClCCl,375.0
13732,O=C(O)c8ccc(C#Cc5c1ccc(n1)c(c2ccccc2)c7ccc(cc3ccc(n3)c(c4ccccc4)c6ccc5[nH]6)[nH]7)cc8,C1CCOC1,431.0
2044,CC1=CC(C)=[N+]2C1=C(C1=C(C)C3=C(C)c4c(C)cc(C)n4[B-](F)(F)[N+]3=C1C)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,516.0
225,C(=C/c1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)cc3)o2)cc1)\c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CC#N,391.0
225,C(=C/c1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)cc3)o2)cc1)\c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CN(C)C=O,397.0
225,C(=C/c1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)cc3)o2)cc1)\c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,Cc1ccccc1,397.0
225,C(=C/c1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)cc3)o2)cc1)\c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,C1CCOC1,396.0
4696,CCCCCCc1c(C2=C/C(=C3/C=C(c4sc(-c5ccc(C=C(C#N)C(=O)O)s5)c(CCCCCC)c4CCCCCC)N(CCCCCC)C3=O)C(=O)N2CCCCCC)sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1CCCCCC,ClC(Cl)Cl,608.0
12587,N#C/C(=C\c1ccc2c(c1)Sc1ccccc1N2CCCCCCCCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,400.0
12146,F[B-]12Oc3ccccc3-c3c4[n+]5c(c([n+]31)-c1ccccc1O2)-c1ccccc1O[B-]5(F)Oc1ccccc1-4,ClCCl,553.0
8348,COC(=O)c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,C1CCOC1,375.0
8348,COC(=O)c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CC#N,370.0
8348,COC(=O)c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CCCCO,382.0
8348,COC(=O)c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CCO,379.0
8348,COC(=O)c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CN(C)C=O,381.0
8348,COC(=O)c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CO,376.0
8348,COC(=O)c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,Cc1ccccc1,366.0
8348,COC(=O)c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,ClCCl,367.0
10277,Cc1c(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)ncnc1-c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1,Cc1ccccc1,367.5
10808,Cc1cc(N2c3ccccc3C(C)(C)c3ccccc32)ccc1-c1cc(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2C)ncn1,Cc1ccccc1,375.9375
7939,CN1/C(=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2cc(CC(=O)O)ccc21,CCO,443.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,CC#N,527.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,CC(C)=O,530.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,CCCCCC,537.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,CCOC(C)=O,532.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,532.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,539.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,541.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,C1CCC2CCCCC2C1,542.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,C1CCCCC1,539.0
15309,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4nc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,C1CCOC1,535.0
1535,CC(Oc1ccccc1)C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,430.0
7810,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1,CS(C)=O,430.0
3038,CCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(-c3ccc(C(C)(C)C)cc3)c3cccc4c5ccc6c7cc(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)n8c7c(c7cc1c(c5c76)c2c34)=C1C=CC(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=[N+]1[B-]8(F)F,Cc1ccccc1,780.0
2142,CC1=[N+]2C(=C(c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCOC1,511.0
13092,N#Cc1ccc(-c2cn3cc(-c4ccccc4)c[n+]3[n-]2)cc1,ClCCl,383.0
8418,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3c[nH]cn3)nc2c1,CS(C)=O,400.0
14964,c1ccc(-c2cc3cc4cc5cc6oc(-c7ccccc7)cc6cc5cc4cc3o2)cc1,ClCCl,483.0
1953,CC1=C(c2ccccc2)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)c(-c3ccccc3)c(C)n1[B-]2(F)F,ClCCl,548.0
1947,CC1=C(c2ccc(N(C)C)cc2)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)c(-c3ccc(N(C)C)cc3)c(C)n1[B-]2(F)F,ClCCl,574.0
9390,COc1ccc(C2=C(C)C3=C(c4c(-c5ccccn5)nc5ccccn45)c4c(C)c(-c5ccc(OC)cc5)c(C)n4[B-](F)(F)[N+]3=C2C)cc1,ClCCl,555.0
13968,O=C1NC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)N(c1ccc(Cl)cc1)C5=O,CN(C)C=O,526.0
13969,O=C1NC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN(C)C=O,522.0
13265,NCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN(C)C=O,525.0
13334,Nc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)NC6=O)cc1,CN(C)C=O,524.0
7893,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4cc(F)ccc4c3Cl)cc2)cc1,CS(C)=O,430.0
7894,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1,CS(C)=O,431.0
15242,c1ccc(Cn2c3sccc3c3c4nsnc4c4c5ccsc5n(Cc5ccccc5)c4c32)cc1,Cc1ccccc1,424.0
15242,c1ccc(Cn2c3sccc3c3c4nsnc4c4c5ccsc5n(Cc5ccccc5)c4c32)cc1,ClCCl,424.0
5122,CCCCCCn1c2ccccc2c2cc(C(Cl)=CC=Nc3ccc(C(=O)O)c(O)c3)ccc21,CN(C)C=O,413.0
4912,CCCCCCc1ccc(-c2ccc(-c3ccc(N(c4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)cc4)c4ccc(-c5ccc(-c6ccc(CCCCCC)s6)s5)cc4)cc3)s2)s1,ClC(Cl)Cl,494.0
3069,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3sc(-c4ccc(N(c5ccc(-c6ccc(OCCCCCC)cc6OCCCCCC)cc5)c5ccc(-c6ccc(OCCCCCC)cc6OCCCCCC)cc5)cc4)c4c3OCCO4)cc21,ClCCl,581.0
13536,O=C(O)C1=CC2=C3C=C(C(=O)O)C=CN3[Ru]3(N=C=S)(N=C=S)(N2C=C1)N1C=CC(C(=O)O)=CC1=C1C=C(C(=O)O)C=CN13,CCO,539.0
13536,O=C(O)C1=CC2=C3C=C(C(=O)O)C=CN3[Ru]3(N=C=S)(N=C=S)(N2C=C1)N1C=CC(C(=O)O)=CC1=C1C=C(C(=O)O)C=CN13,CN(C)C=O,525.0
1748,CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21,Cc1ccccc1,341.0
1265,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1Oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc1C2(C)C,Cc1ccccc1,346.0
1051,CC(C)(C)c1ccc(-c2oc3c4oc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)c5cc(Br)cc(c6cc(Br)cc(c2-c2ccc(C(C)(C)C)cc2)c63)c54)cc1,ClCCl,422.0
1052,CC(C)(C)c1ccc(-c2oc3c4oc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)c5cccc(c6cccc(c2-c2ccc(C(C)(C)C)cc2)c63)c54)cc1,ClCCl,432.0
12893,N#CC1=CC(C#Cc2ccccc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1,ClC(Cl)Cl,489.0
6230,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)C(C)C)oc2c1,CCO,422.0
6230,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)C(C)C)oc2c1,ClCCl,428.0
6529,CCOC(=O)/N=c1/oc2c(OC)cccc2cc1C#N,ClCCl,374.0
6530,CCOC(=O)/N=c1/oc2cc(N(CC)CC)ccc2cc1C#N,ClCCl,440.0
6531,CCOC(=O)/N=c1/oc2cc(OC)cc(OC)c2cc1C#N,ClCCl,376.0
6532,CCOC(=O)/N=c1/oc2cc(OC)ccc2cc1C#N,ClCCl,370.0
6533,CCOC(=O)/N=c1/oc2ccc(OC)cc2cc1C#N,ClCCl,388.0
8780,COc1cc(OC)c2cc(C#N)c(=N)oc2c1,ClCCl,372.0
6235,CCN(CC)c1ccc2cc(C#N)/c(=N\C(C)=O)oc2c1,CCO,422.0
6235,CCN(CC)c1ccc2cc(C#N)/c(=N\C(C)=O)oc2c1,ClCCl,430.0
6236,CCN(CC)c1ccc2cc(C#N)c(=N)oc2c1,ClCCl,428.0
9937,COc1cccc2cc(C#N)c(=N)oc12,ClCCl,364.0
13065,N#Cc1cc2ccc(O)cc2oc1=N,C1CCOC1,360.0
13065,N#Cc1cc2ccc(O)cc2oc1=N,CC#N,356.0
13065,N#Cc1cc2ccc(O)cc2oc1=N,CCOC(C)=O,362.0
13065,N#Cc1cc2ccc(O)cc2oc1=N,CS(C)=O,355.0
13065,N#Cc1cc2ccc(O)cc2oc1=N,ClC(Cl)Cl,364.0
9866,COc1ccc2oc(=N)c(C#N)cc2c1,ClCCl,388.0
13074,N#Cc1cc2ccccc2oc1=N,CCOC(C)=O,351.0
13074,N#Cc1cc2ccccc2oc1=N,CS(C)=O,347.0
13074,N#Cc1cc2ccccc2oc1=N,ClC(Cl)Cl,352.0
13074,N#Cc1cc2ccccc2oc1=N,C1CCOC1,350.0
13074,N#Cc1cc2ccccc2oc1=N,CC#N,348.0
9818,COc1ccc2cc(C#N)c(=N)oc2c1,ClCCl,358.0
8435,COC(=O)c1ccn2c(NCC(=O)OC(C)(C)C)c(/C=C/c3ccc(OC)cc3)nc2c1,CS(C)=O,410.0
5784,CCCN(CCC)C(=O)CNc1c(/C=C/c2ccc(OC)cc2)nc2cc(C(=O)OC)ccn12,CS(C)=O,413.0
8220,COC(=O)CNc1c(/C=C/c2ccc(OC)cc2)nc2cc(C(=O)OC)ccn12,CS(C)=O,411.0
8416,COC(=O)c1ccn2c(NC(C)(C)C)c(/C=C/c3ccc(OC)cc3)nc2c1,CS(C)=O,416.0
8417,COC(=O)c1ccn2c(NC(C)C)c(/C=C/c3ccc(OC)cc3)nc2c1,CS(C)=O,413.0
7447,CN(C)c1ccc(/C=C/c2cnc(/C=C/c3ccc(C#N)cc3)o2)cc1,ClCCl,432.0
3105,CCCCCCCCCCCCCCCc1c(C=C(C#N)C(=O)O)sc2c1sc1c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c(CCCCCCCCCCCCCCC)c3sc21,Clc1ccccc1Cl,498.0
228,C(=C/c1ccc(/C=C/c2c3ccccc3cc3ccccc23)cc1)\c1ccncc1,C1CCOC1,390.0
3124,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(-c6ccccc6)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(-c5ccccc5)cc4)c(OC)cc23)C1=O,ClCCl,437.0
150,C(#Cc1ccccc1)C(C#Cc1ccccc1)=Cc1ccc2cc(C=C(C#Cc3ccccc3)C#Cc3ccccc3)ccc2c1,ClC(Cl)Cl,418.0
1779,CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc(C#Cc6ccc(C(=O)O)cc6)s5)ccc3N4c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,CN(C)C=O,418.0
7242,CCn1c2sccc2c2c3nsnc3c3c4ccsc4n(CC)c3c21,C1CCOC1,424.0
7242,CCn1c2sccc2c2c3nsnc3c3c4ccsc4n(CC)c3c21,CCOC(C)=O,422.0
7242,CCn1c2sccc2c2c3nsnc3c3c4ccsc4n(CC)c3c21,CN(C)C=O,430.0
7242,CCn1c2sccc2c2c3nsnc3c3c4ccsc4n(CC)c3c21,Cc1ccccc1,423.0
7242,CCn1c2sccc2c2c3nsnc3c3c4ccsc4n(CC)c3c21,ClCCl,425.0
14845,c1cc2c([nH]c3c4[nH]c5sccc5c4c4nsnc4c23)s1,CCOC(C)=O,414.0
14845,c1cc2c([nH]c3c4[nH]c5sccc5c4c4nsnc4c23)s1,CN(C)C=O,423.0
14845,c1cc2c([nH]c3c4[nH]c5sccc5c4c4nsnc4c23)s1,Cc1ccccc1,411.0
14845,c1cc2c([nH]c3c4[nH]c5sccc5c4c4nsnc4c23)s1,ClCCl,415.0
14845,c1cc2c([nH]c3c4[nH]c5sccc5c4c4nsnc4c23)s1,C1CCOC1,420.0
7118,CCn1c(-c2ccc(OC)cc2)c(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc(OC)cc1,CCOC(C)=O,259.0
8980,COc1ccc(-c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)c(N3CCCCC3)c2)cc1,CS(C)=O,398.0
12960,N#Cc1c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(-c2ccccc2)cc1N1CCCCC1,CS(C)=O,398.0
10939,Cc1ccc(-c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)c(N3CCCCC3)c2)cc1,CS(C)=O,401.0
6577,CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1,C1CCOC1,376.0
6577,CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1,CO,380.0
4367,CCCCCCOc1ccc(N(c2ccc(C=CC(=C(C#N)C(=O)O)c3cc(OC)ccc3OC)cc2)c2ccc(OCCCCCC)cc2)cc1,CCO,305.0
4368,CCCCCCOc1ccc(N(c2ccc(C=CC(=C(C#N)C(=O)O)c3cc(OCCC)ccc3OCCC)cc2)c2ccc(OCCCCCC)cc2)cc1,CCO,306.0
4369,CCCCCCOc1ccc(N(c2ccc(C=CC(=C(C#N)C(=O)O)c3cc(OCCCCCC)ccc3OCCCCCC)cc2)c2ccc(OCCCCCC)cc2)cc1,CCO,306.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CC#N,481.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CCO,490.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CCOC(C)=O,478.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CN(C)C=O,490.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CO,484.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,Cc1ccccc1,487.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,ClC(Cl)Cl,502.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CC(C)=O,481.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,C1COCCO1,480.0
12823,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,ClCCl,481.0
6512,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CC#N,457.0
6512,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CC(C)=O,457.0
6512,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CCO,466.0
6512,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CCOC(C)=O,454.0
6512,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CN(C)C=O,466.0
6512,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,CO,463.0
6512,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1,ClC(Cl)Cl,475.0
15252,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)c5nsnc45)s3)cc2)cc1,ClC(Cl)Cl,530.0
3239,CCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(-c4ccc(N(c5ccccc5)c5ccc(/C=C(\C#N)C(=O)O)cc5)cc4)s3)c3nsnc23)sc1-c1ccc(N(c2ccccc2)c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1,C1CCOC1,432.0
9567,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)s5)c5nsnc45)s3)cc2)cc1,ClC(Cl)Cl,545.0
12577,N#C/C(=C\c1ccc(OCCCCCCOc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2O)c(O)c1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,605.0
3962,CCCCCCN1C(=O)C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C1=O,ClC(Cl)Cl,421.0
3962,CCCCCCN1C(=O)C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C1=O,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,426.0
12761,N#CC(=Cc1ccc(C2CC3C(=C4SC(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)CC4C4C5CCCC4OCCCCCCOC4CCCC(OCCCCCCO5)C43)S2)s1)C(=O)O,ClCCl,570.0
2711,CCCCC(CC)Cn1c2cc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)c3cccc4c5cccc6c(-c7ccc(C=C(C#N)C(=O)O)s7)cc1c(c65)c2c34,ClCCl,472.0
2713,CCCCC(CC)Cn1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c5cccc6c(-c7ccc(C=C(C#N)C(=O)O)s7)cc1c(c65)c2c34,ClCCl,472.0
12782,N#CC(=Cc1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1)C(=O)O,CN(C)C=O,390.0
12299,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1)C(=O)O,CCO,405.0
4282,CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OCCCCCC)cc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2)cc1,CCO,427.0
4975,CCCCCCc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6ccc(C=C(C#N)C(=O)O)s6)cc5CCCCCC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)c1,ClCCl,486.0
4904,CCCCCCc1ccc(-c2cc(CCCCCC)c(-c3ccc(-c4ccc(-c5sc(-c6ccc(P(=O)(O)O)s6)cc5CCCCCC)s4)s3)s2)s1,ClC(Cl)Cl,426.0
1737,CC1(C)c2cc(C#N)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21,Cc1ccccc1,390.0
1737,CC1(C)c2cc(C#N)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21,ClC(Cl)Cl,389.0
1737,CC1(C)c2cc(C#N)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21,C1CCCCC1,395.0
1737,CC1(C)c2cc(C#N)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21,C1CCOC1,380.0
1737,CC1(C)c2cc(C#N)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21,CC#N,375.0
4748,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc(-c6cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s6)s5)ccc3N4c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)s2)sc1/C=C(\C#N)C(=O)O,C1CCOC1,495.0
4914,CCCCCCc1ccc(-c2ccc(-c3ccc4c(c3)N(CC(CC)CCCC)C(=O)/C4=C3/C(=O)N(CC(CC)CCCC)c4cc(-c5cc(CCCCCC)c(-c6ccc(P(=O)(O)O)s6)s5)ccc43)s2)s1,ClC(Cl)Cl,580.0
4989,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc1C=C(C#N)c1ccc(-c2ccc(C=C(C#N)C(=O)O)cc2)cc1,ClCCl,459.0
2437,CCC1=C(C)C2=C(c3cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,C1CCOC1,534.0
2437,CCC1=C(C)C2=C(c3cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,531.0
2437,CCC1=C(C)C2=C(c3cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,539.0
2437,CCC1=C(C)C2=C(c3cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,537.0
2437,CCC1=C(C)C2=C(c3cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClC(Cl)Cl,538.0
3987,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cccs5)s4)ccc(c23)C1=O,ClC(Cl)Cl,409.0
4142,CCCCCCN1c2ccccc2Sc2cc(C(c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5(CCCCCC)CCCCCC)cc3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3c5c(c6c(c3-4)C(CCCCCC)(CCCCCC)c3ccccc3-6)C(CCCCCC)(CCCCCC)c3ccccc3-5)ccc21,ClCCl,546.0
7322,CN(C)c1ccc(-c2ccc(-c3ncc4ccccn34)cc2)cc1,ClC(Cl)Cl,348.0
4019,CCCCCCN1c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2Sc2cc(-c3sc(C=C(C#N)C(=O)O)c4c3OCCO4)ccc21,ClCCl,484.0
14457,O=c1c2cc(F)c(N3CCOCC3)cc2oc2cc(N3CCOCC3)c(F)cc12,CCO,344.0
2781,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,418.0
2781,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,413.0
2781,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC#N,407.0
2781,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCOC(C)=O,411.0
2781,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CN(C)C=O,411.0
2781,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,418.0
2781,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClC(Cl)Cl,412.0
2781,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,410.0
2786,CCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3-4)cc21,C1CCOC1,366.0
8787,COc1cc(OC)cc(-c2nnc(-c3cccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,C1CCCCC1,290.0
8787,COc1cc(OC)cc(-c2nnc(-c3cccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,C1CCOC1,290.0
8787,COc1cc(OC)cc(-c2nnc(-c3cccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,CC#N,288.0
8787,COc1cc(OC)cc(-c2nnc(-c3cccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,CCO,288.0
8787,COc1cc(OC)cc(-c2nnc(-c3cccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,CS(C)=O,292.0
8787,COc1cc(OC)cc(-c2nnc(-c3cccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)c3)o2)c1,ClCCl,290.0
8458,COC(=O)c1noc(-c2ccccc2)c1Br,C1CCCCC1,307.0
8459,COC(=O)c1noc(-c2ccccc2)c1Cl,C1CCCCC1,307.0
8571,COOCc1noc(-c2ccccc2)c1Cl,C1CCCCC1,277.0
8570,COOCc1noc(-c2ccccc2)c1Br,C1CCCCC1,277.0
5792,CCCN(N=Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1)c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1,ClC(Cl)Cl,495.0
5778,CCCN(/N=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1,ClC(Cl)Cl,497.0
3331,CCCCCCCCCN(N=Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1)c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1,ClC(Cl)Cl,508.0
12929,N#Cc1c(-c2cccs2)cc(-c2ccc3c(c2)Cc2ccccc2-3)[nH]c1=O,C1CCOC1,343.0
12929,N#Cc1c(-c2cccs2)cc(-c2ccc3c(c2)Cc2ccccc2-3)[nH]c1=O,CC#N,389.0
12929,N#Cc1c(-c2cccs2)cc(-c2ccc3c(c2)Cc2ccccc2-3)[nH]c1=O,CCOC(C)=O,394.0
12929,N#Cc1c(-c2cccs2)cc(-c2ccc3c(c2)Cc2ccccc2-3)[nH]c1=O,CN(C)C=O,440.0
12929,N#Cc1c(-c2cccs2)cc(-c2ccc3c(c2)Cc2ccccc2-3)[nH]c1=O,CO,394.0
12929,N#Cc1c(-c2cccs2)cc(-c2ccc3c(c2)Cc2ccccc2-3)[nH]c1=O,CS(C)=O,449.0
12929,N#Cc1c(-c2cccs2)cc(-c2ccc3c(c2)Cc2ccccc2-3)[nH]c1=O,ClC(Cl)Cl,385.0
930,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3ccc(Br)cc3)=c3/cc/c([nH]3)=C(\c3ccc(Br)cc3)C3=N/C(=C(/c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc2c[nH]4)C=C3)cc(C(C)(C)C)c1,CC(=O)N(C)C,702.0
931,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3ccc([N+](=O)[O-])cc3)=c3/cc/c([nH]3)=C(\c3ccc([N+](=O)[O-])cc3)C3=N/C(=C(/c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc2c[nH]4)C=C3)cc(C(C)(C)C)c1,CC(=O)N(C)C,701.0
405,C1=C/C2=C(\c3ccccc3)c3c[nH]c(c3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)C1=N2,CC(=O)N(C)C,699.0
91,C#Cc1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccc(C#C)cc3)C3=N/C(=C(/c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(c[nH]4)/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4/C=CC2=N4)C=C3)cc1,CC(=O)N(C)C,703.0
4239,CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(OCCCCCC)cc5OCCCCCC)ccn4c3-c3ccc(/C=c4\s/c(=C5\SC(=S)N(CCCCCC)C5=O)n(CC(=O)O)c4=O)s3)cc2)c(OCCCCCC)c1,ClCCl,605.0
10410,Cc1cc(-c2ccccc2)[o+]c2cc(N(C)C)ccc12,ClCCl,510.0
8290,COC(=O)c1c(NC(C)(C)C)oc(-c2ccc(-c3ccccc3)cc2)c1C(=O)OC,CC#N,355.0
6699,CCOC(=O)c1c(NC(C)(C)C)oc(-c2ccc(-c3ccccc3)cc2)c1C(=O)OCC,CC#N,355.0
997,CC(C)(C)c1ccc(-c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c(C#N)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,345.0
6894,CCOc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,417.0
14993,c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,414.0
11963,FC(F)(F)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,420.0
9028,COc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,419.0
10946,Cc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,413.0
12189,Fc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,416.0
4179,CCCCCCOc1c2ccc(N(c3ccccc3)c3ccccc3)cc2c(OCCCCCC)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc12,C1CCOC1,479.0
2452,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc5ccc6cccc7ccc3c5c67)(Oc3ccccc3-4)[N+]2=C1C,CC#N,622.0
2452,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc5ccc6cccc7ccc3c5c67)(Oc3ccccc3-4)[N+]2=C1C,CCCCCC,627.0
2452,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc5ccc6cccc7ccc3c5c67)(Oc3ccccc3-4)[N+]2=C1C,Cc1ccccc1,630.0
2452,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc5ccc6cccc7ccc3c5c67)(Oc3ccccc3-4)[N+]2=C1C,ClCCl,628.0
7105,CCn1c(-c2ccc(-c3ccc(-c4ccc(-c5n(CC)c6cc(C)ccc6[n+]5CC)cc4)cc3)cc2)[n+](CC)c2ccc(C)cc21,O,307.0
7106,CCn1c(-c2ccc(-c3ccc(-c4ccc(-c5n(CC)c6ccccc6[n+]5CC)cc4)c(C)c3)cc2)[n+](CC)c2ccccc21,O,290.0
7107,CCn1c(-c2ccc(-c3ccc(-c4ccc(-c5n(CC)c6ccccc6[n+]5CC)cc4)cc3)cc2)[n+](CC)c2ccccc21,O,305.0
11814,Cn1c(-c2ccc(-c3ccc(-c4ccc(-c5n(C)c6ccccc6[n+]5C)cc4)cc3)cc2)[n+](C)c2ccccc21,O,312.0
5628,CCCCn1c(-c2ccc(-c3ccc(-c4ccc(-c5n(CCCC)c6cc(C)ccc6[n+]5CCCC)cc4)cc3)cc2)[n+](CCCC)c2ccc(C)cc21,O,304.0
5629,CCCCn1c(-c2ccc(-c3ccc(-c4ccc(-c5n(CCCC)c6ccccc6[n+]5CCCC)cc4)cc3)cc2)[n+](CCCC)c2ccccc21,O,303.0
11456,Cc1ccc2c(c1)n(C)c(-c1ccc(-c3ccc(-c4ccc(-c5n(C)c6cc(C)ccc6[n+]5C)cc4)cc3)cc1)[n+]2C,O,315.0
10390,Cc1cc(-c2ccc(-c3n(C)c4ccccc4[n+]3C)cc2)ccc1-c1ccc(-c2n(C)c3ccccc3[n+]2C)cc1,O,299.0
2715,CCCCC(CC)Cn1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,345.0
10362,Cc1c2c(nc3ccccc13)-c1cc3c(cc1CC2)-c1nc2ccccc2c(C)c1CC3,ClC(Cl)Cl,372.0
5581,CCCCc1c2c(nc3ccccc13)-c1cc3c(cc1CC2)-c1nc2ccccc2c(CCCC)c1CC3,ClC(Cl)Cl,372.0
5669,CCCCn1c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(C#N)cc2c2cc(C#N)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21,ClCCl,351.0
14204,O=P1(c2ccccc2)c2cccc3cccc(c23)-c2cccc3cccc1c23,ClCCl,346.0
7170,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,C1CCOC1,381.0
7170,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,CCOC(C)=O,378.0
7170,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,CN(C)C=O,387.0
7170,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,Cc1ccccc1,380.0
7170,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,ClCCl,381.0
7172,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,C1CCOC1,366.0
7172,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,CCOC(C)=O,364.0
7172,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,CN(C)C=O,369.0
7172,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,Cc1ccccc1,365.0
7172,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,ClCCl,366.0
7173,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,C1CCOC1,381.0
7173,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,CCOC(C)=O,378.0
7173,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,CN(C)C=O,384.0
7173,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,Cc1ccccc1,382.0
7173,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,ClCCl,384.0
7174,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,C1CCOC1,371.0
7174,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,CCOC(C)=O,369.0
7174,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,CN(C)C=O,374.0
7174,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,Cc1ccccc1,370.0
7174,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,ClCCl,370.0
7175,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,C1CCOC1,360.0
7175,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,CCOC(C)=O,359.0
7175,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,CN(C)C=O,363.0
7175,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,Cc1ccccc1,360.0
7175,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,ClCCl,360.0
3932,CCCCCCN(c1ccc(/C=C(\C#N)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2)cc1)c1ccc(/C=C(\C#N)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2)cc1,CN(C)C=O,446.0
12784,N#CC(=Cc1ccc(N(c2ccccc2)c2ccc(-c3nc4cc5sc(=S)sc5cc4[nH]3)cc2)cc1)C(=O)O,CCO,410.0
7150,CCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccc(C=C(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)cc3)ccc21,ClC(Cl)Cl,374.0
15260,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4nc(-c5ccccn5)n(-c5ccccc5)n4)cc3)cc2)cc1,ClCCl,349.0
3837,CCCCCCCCn1c2ccccc2c2c1c1c3ccccc3n(CCCCCCCC)c1c1c3cc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)ccc3n(CCCCCCCC)c21,ClCCl,464.0
3838,CCCCCCCCn1c2ccccc2c2c1c1c3ccccc3n(CCCCCCCC)c1c1c3cc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)cc5)c5nsnc45)ccc3n(CCCCCCCC)c21,ClCCl,497.0
13836,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2cccs2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,C1CCOC1,370.0
13836,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2cccs2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CC#N,364.0
13836,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2cccs2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CCO,368.0
13836,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2cccs2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CCOC(C)=O,366.0
13836,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2cccs2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,CN(C)C=O,358.0
13836,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2cccs2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,ClCCl,374.0
13836,O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H]1[C@H](c2cccs2)C[C@](O)(c2ccccn2)C[C@]1(O)c1ccccn1,c1ccccc1,372.0
10323,Cc1c(C)c2cc3cc4ccccc4cc3n2c2nc3ccccc3cc12,ClCCl,483.0
3742,CCCCCCCCc1ccc(-c2c3cc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(/C=C7\SC(N8CCCCC8)=NC7=O)cc6CCCCCCCC)s5)s4)sc3c(-c3ccc(CCCCCCCC)s3)c3cc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(/C=C7\SC(N8CCCCC8)=NC7=O)cc6CCCCCCCC)s5)s4)sc23)s1,ClC(Cl)Cl,475.0
4311,CCCCCCOc1ccc(-n2c3ccsc3c3sc(/C=C(\C#N)C(=O)O)cc32)c(OCCCCCC)c1,ClCCl,460.0
1955,CC1=C(c2ccccc2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3ccccc3)c(C)n1[B-]2(F)F,CO,524.0
1955,CC1=C(c2ccccc2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3ccccc3)c(C)n1[B-]2(F)F,Cc1ccccc1,530.0
1955,CC1=C(c2ccccc2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3ccccc3)c(C)n1[B-]2(F)F,ClCCl,528.0
14397,O=[N+]([O-])c1ccccc1C1=CC2=C(c3ccccc3)c3cc(-c4ccccc4[N+](=O)[O-])cn3[B-](F)(F)[N+]2=C1,ClCCl,538.0
14277,O=[N+]([O-])c1cc(Cl)ccc1C1=CC2=C(c3ccccc3)c3cc(-c4ccc(Cl)cc4[N+](=O)[O-])cn3[B-](F)(F)[N+]2=C1,ClCCl,537.0
9431,COc1ccc(C2=C3C=C(c4cc(OC)c(OC)cc4[N+](=O)[O-])C=[N+]3[B-](F)(F)n3cc(-c4cc(OC)c(OC)cc4[N+](=O)[O-])cc32)cc1,ClCCl,542.0
9924,COc1cccc(OC)c1C1=CC2=C(c3ccccc3)c3cc(-c4c(F)c(F)c(F)c(F)c4F)cn3[B-](F)(F)[N+]2=C1,ClCCl,553.0
9925,COc1cccc(OC)c1C1=CC2=C(c3ccccc3)c3cc(-c4c(OC)cccc4OC)cn3[B-](F)(F)[N+]2=C1,ClCCl,580.0
12167,Fc1c(F)c(F)c(C2=CC3=C(c4ccccc4)c4cc(-c5c(F)c(F)c(F)c(F)c5F)cn4[B-](F)(F)[N+]3=C2)c(F)c1F,ClCCl,546.0
12237,Fc1cccc(F)c1C1=CC2=C(c3ccccc3)c3cc(-c4c(F)cccc4F)cn3[B-](F)(F)[N+]2=C1,ClCCl,559.0
9671,COc1ccc([N+](=O)[O-])c(C2=CC3=C(c4ccccc4)c4cc(-c5cc(OC)ccc5[N+](=O)[O-])cn4[B-](F)(F)[N+]3=C2)c1,ClCCl,529.0
2843,CCCCCC1c2c(C)c(-c3ccc(/C=C(/C#N)C(=O)O)o3)c(C)n2[B-](F)(F)[N+]2=C(C)C(c3ccc4c(c3)Sc3ccccc3N4CCC)=C(C)C12,ClC(Cl)Cl,553.0
4041,CCCCCCN1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2CCc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,459.0
12484,N#C/C(=C\c1ccc(-c2ccc3c(c2)CCc2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2N3CCCCCCO)s1)C(=O)O,ClCCl,459.0
12079,F[B-]1(F)n2c(c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C=C2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=[N+]21,C1CCOC1,576.0
9305,COc1ccc(/C=C/c2nccc3ccccc23)cc1,ClC(Cl)Cl,360.0
9305,COc1ccc(/C=C/c2nccc3ccccc23)cc1,ClCCl,360.0
2516,CCCC1(CCC)c2ccccc2-c2c1c1c(c3c2C(CCC)(CCC)c2cc(N(c4ccc(-c5sc(/C=C(\C#N)C(=O)O)c6c5OCCO6)cc4)c4ccc5c(c4)C(CCC)(CCC)c4c6c(c7c(c4-5)C(CCC)(CCC)c4ccccc4-7)Cc4ccccc4-6)ccc2-3)Cc2ccccc2-1,ClCCl,519.0
12658,N#CC(=Cc1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(C=Cc7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5c5cc(-c6ccc(C=Cc7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)ccc54)cc3)s2)s1)C(=O)O,CN(C)C=O,519.0
4850,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc2c(c1)C1CCCC1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,523.0
12281,N#C/C(=C/c1ccc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClC(Cl)Cl,519.0
5224,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(/C=C/c4ccc(N(C)C)cc4)c(=O)n(CCC)c3c2)cc1,CC#N,488.0
5224,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(/C=C/c4ccc(N(C)C)cc4)c(=O)n(CCC)c3c2)cc1,ClCCl,494.0
5224,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(/C=C/c4ccc(N(C)C)cc4)c(=O)n(CCC)c3c2)cc1,C1COCCO1,481.0
10039,CSc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1,O,535.0
10769,Cc1cc(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)c1,O,530.0
8616,COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1C,O,530.0
5885,CCCc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1,O,530.0
14782,[NH2+]=c1ccc2c(-c3cccc(F)c3)c3ccc(N4CCCCC4)cc3oc-2c1,O,540.0
10901,Cc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1,O,535.0
9877,COc1cccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)c1,O,535.0
14783,[NH2+]=c1ccc2c(-c3ccccc3)c3ccc(N4CCCCC4)cc3oc-2c1,O,535.0
14773,[NH2+]=c1ccc2c(-c3ccc(F)cc3)c3ccc(N4CCCCC4)cc3oc-2c1,O,535.0
10384,Cc1cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)ccc1F,O,537.5
14781,[NH2+]=c1ccc2c(-c3cccc(Cl)c3)c3ccc(N4CCCCC4)cc3oc-2c1,O,540.0
7300,CN(C)c1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1,O,535.0
8942,COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1,O,535.0
8943,COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1OC,O,535.0
5102,CCCCCCn1c2ccccc2c2cc(-c3ccc(/C=C4\SC(=S)N(CC(=O)O)C4=O)cc3)ccc21,ClC(Cl)Cl,438.0
812,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1cccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)c1,C1CCOC1,502.0
14828,c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1,ClCCl,376.0
7036,CC[n+]1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,O,428.0
7036,CC[n+]1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,OCC(O)CO,440.0
7036,CC[n+]1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,C1CCOC1,447.0
7036,CC[n+]1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CC#N,438.0
7036,CC[n+]1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CS(C)=O,440.0
7036,CC[n+]1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,Cc1ccccc1,454.0
287,C(=C/c1nc2ccccc2o1)\c1ccc(Cn2cc(COc3cc(Cn4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7cn(Cc8cc(OCc9cn(Cc%10ccc(/C=C/c%11nc%12ccccc%12o%11)cc%10)nn9)cc(OCc9cnnn9Cc9ccc(/C=C/c%10nc%11ccccc%11o%10)cc9)c8)nn7)cc6)cc5)nn4)cc(OCc4cnnn4Cc4ccc(/C=C/c5nc6ccccc6o5)cc4)c3)nn2)cc1,CN(C)C=O,328.0
4264,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c(c3)sc3cc(-c5ccc(C=C(C#N)C(=O)O)s5)sc34)cc2)c(OCCCCCC)c1,C1CCOC1,469.0
4809,CCCCCCc1cc(-c2sc(-c3c(C)c4ccc(N(CC)CC)cc4oc3=O)cc2CCCCCC)sc1/C=C/c1ccc([Si](OCC)(OCC)OCC)s1,Cc1ccccc1,415.0
1854,CC1(C)c2ccccc2N(c2ccc(-c3cc(C#N)c(C#N)cc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,384.0
11409,Cc1ccc([N+]2=c3c4n(c5ccccc35)[B-](F)(F)[N+](c3ccc(C)cc3)=c3c=4n(c4ccccc34)[B-]2(F)F)cc1,ClCCl,743.0
11903,Cn1ccc(-c2nc3ccccc3nc2/C=C/N2CCCC2)c1,CC#N,445.0
7715,CN(C)c1ccc2c(ccc3c(-c4ccccc4C(=O)[O-])c4ccc(=[NH2+])cc-4oc32)c1,O,568.0
8406,COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2c1ccc1cccc(N)c12,O,576.0
8407,COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2c1ccc1cccc(O)c12,O,542.0
8408,COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2c1ccc1cccc(OC)c12,O,538.0
13401,Nc1ccc2c(ccc3c(-c4ccccc4C(=O)[O-])c4ccc(=[NH2+])cc-4oc32)c1,O,533.0
4575,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-n3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc6c(c5)C5CCCC5N6c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc43)cc2)cc1,ClCCl,544.0
1064,CC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,361.0
6149,CCN(CC)c1ccc2c(c1)Oc1c3c4c(cc1=C2c1ccccc1C(=O)[O-])CCC[N+]=4CCC3,O,566.0
6464,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)[O-])=c1cc3c4c(c1O2)CCC[N+]=4CCC3,O,554.0
12409,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(C#Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nsnc23)s1)C(=O)O,C1CCOC1,515.0
15080,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1,Cc1ccccc1,365.0
14208,O=P12n3c4c5ccccc5c3/N=C3\N=C(/N=c5/c6ccccc6c(n51)=c1c5ccccc5c(n12)=N4)c1ccccc13,CN(C)C=O,654.0
2810,CCCCC1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C1=C(C5=O)c2ccc3ccccc3[n+]2[B-](F)(F)O1,ClCCl,616.0
11283,Cc1ccc(N2c3cc(-c4ccc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)ccc3C3CCCC32)cc1,ClCCl,527.0
1931,CC1=C(C#Cc2ccccc2)C2=Cc3c(C#Cc4ccccc4)c(C)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,570.0
1608,CC1(C)C/C(=C(/C#N)C(=O)O)CC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C1,ClCCl,478.0
1610,CC1(C)C/C(=C(/C#N)C(=O)O)C[C@@H](/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C1,ClCCl,478.0
4342,CCCCCCOc1ccc(N(c2ccc(/C=C/C3C/C(=C(\C#N)C(=O)O)CC(C)(C)C3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,504.0
4343,CCCCCCOc1ccc(N(c2ccc(/C=C/[C@@H]3C/C(=C(\C#N)C(=O)O)CC(C)(C)C3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,504.0
8241,COC(=O)[C@H](Cc1ccccc1)Nc1c(C(C)=O)c(=O)oc2cc(N(C)C)ccc12,ClCCl,373.0
656,CC(=O)c1c(N[C@@H](Cc2ccc(O)cc2)C(=O)O)c2ccc(N(C)C)cc2oc1=O,ClCCl,368.0
657,CC(=O)c1c(N[C@@H](Cc2ccccc2)C(=O)O)c2ccc(N(C)C)cc2oc1=O,ClCCl,374.0
8399,COC(=O)c1cccc2c1C#Cc1c(N)cccc1OCCCO2,CC#N,359.0
8399,COC(=O)c1cccc2c1C#Cc1c(N)cccc1OCCCO2,ClCCl,363.0
8400,COC(=O)c1cccc2c1C#Cc1c(NC(C)=O)cccc1OCCCO2,CC#N,335.0
8400,COC(=O)c1cccc2c1C#Cc1c(NC(C)=O)cccc1OCCCO2,ClCCl,341.0
616,CC(=O)Nc1cccc2c1C#Cc1c(cccc1C(=O)N(C)C)OCCCO2,CC#N,315.0
616,CC(=O)Nc1cccc2c1C#Cc1c(cccc1C(=O)N(C)C)OCCCO2,ClCCl,318.0
8068,CNC(=O)[C@H](C)NC(=O)c1cccc2c1C#Cc1c(N)cccc1OCCCO2,CC#N,347.0
8068,CNC(=O)[C@H](C)NC(=O)c1cccc2c1C#Cc1c(N)cccc1OCCCO2,ClCCl,345.0
8069,CNC(=O)[C@H](C)NC(=O)c1cccc2c1C#Cc1c(NC(=O)[C@@H](NC(C)=O)C(C)C)cccc1OCCCO2,CC#N,324.0
8069,CNC(=O)[C@H](C)NC(=O)c1cccc2c1C#Cc1c(NC(=O)[C@@H](NC(C)=O)C(C)C)cccc1OCCCO2,ClCCl,336.0
6209,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CC(C)=O,518.0
6209,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CCOC(C)=O,508.0
6209,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CN(C)C=O,532.0
6209,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CS(C)=O,538.0
6209,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,Cc1ccccc1,508.0
6209,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,ClCCl,526.0
1163,CC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)s3)c2c1,C1CCOC1,486.0
6503,CCOC(=O)/C(=C/c1ccc(N(c2ccc(N3c4ccccc4Sc4ccccc43)cc2)c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1)c1nnn[nH]1,ClCCl,418.0
10694,Cc1cc(C)c(B(c2ccc(C#Cc3cc4ccc5cc(C#Cc6ccc(B(c7c(C)cc(C)cc7C)c7c(C)cc(C)cc7C)cc6)cc6ccc(c3)c4c56)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,414.0
8671,COc1cc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)=C2)ccc1O,ClCCl,492.0
5099,CCCCCCn1c2ccccc2c2cc(-c3ccc(-n4c(/C=C(/C#N)C(=O)O)ccc4/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21,ClCCl,415.0
5099,CCCCCCn1c2ccccc2c2cc(-c3ccc(-n4c(/C=C(/C#N)C(=O)O)ccc4/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21,C1CCOC1,415.0
5099,CCCCCCn1c2ccccc2c2cc(-c3ccc(-n4c(/C=C(/C#N)C(=O)O)ccc4/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21,CCO,415.0
5099,CCCCCCn1c2ccccc2c2cc(-c3ccc(-n4c(/C=C(/C#N)C(=O)O)ccc4/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21,CN(C)C=O,415.0
5950,CCN(CC)c1ccc(-c2nc(Oc3ccc(-c4nc5ccccc5s4)cc3)nc(Oc3ccc(-c4nc5ccccc5s4)cc3)n2)cc1,CN(C)C=O,374.0
1738,CC1(C)c2cc(C=C(C#N)C(=O)O)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)cc21,C1CCOC1,436.0
3727,CCCCCCCCc1cc(-c2sc(-c3ccc4c(c3)C(C)(C)c3cc(C=C(C#N)C(=O)O)ccc3-4)cc2CCCCCCCC)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,423.0
12133,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,ClCCl,486.0
11145,Cc1ccc(C2=C3C=CC(N4CCOCC4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,488.0
12911,N#CSc1ccc2n1[B-](F)(F)[N+]1=C(N3CCOCC3)C=CC1=C2c1ccccc1,CC#N,452.0
14346,O=[N+]([O-])c1ccc(C2=C3C=CC(N4CCOCC4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,496.0
12910,N#CSC1=CC2=C(c3ccccc3)c3ccc(SC#N)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CCCCCC,560.0
12129,F[B-]1(F)n2cccc2C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C2C=CC(N3CCOCC3)=[N+]21,ClCCl,491.0
12910,N#CSC1=CC2=C(c3ccccc3)c3ccc(SC#N)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CCOC(C)=O,554.0
12910,N#CSC1=CC2=C(c3ccccc3)c3ccc(SC#N)n3[B-](F)(F)[N+]2=C1N1CCOCC1,ClCCl,558.0
12911,N#CSc1ccc2n1[B-](F)(F)[N+]1=C(N3CCOCC3)C=CC1=C2c1ccccc1,CCCCCC,492.0
12911,N#CSc1ccc2n1[B-](F)(F)[N+]1=C(N3CCOCC3)C=CC1=C2c1ccccc1,CCOC(C)=O,464.0
12911,N#CSc1ccc2n1[B-](F)(F)[N+]1=C(N3CCOCC3)C=CC1=C2c1ccccc1,CO,458.0
12911,N#CSc1ccc2n1[B-](F)(F)[N+]1=C(N3CCOCC3)C=CC1=C2c1ccccc1,ClCCl,468.0
12133,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CC#N,473.0
12133,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CCOC(C)=O,480.0
12133,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CCCCCC,514.0
12133,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CO,479.0
6064,CCN(CC)c1ccc2c(-c3cccc(S(=O)(=O)[O-])c3)c(C)c(CC/C=C3/N(CCCCCC(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)[o+]c2c1,CCO,710.0
1498,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C1=O)c64)C(=O)OC5=O,ClCCl,576.0
15055,c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c3)n2)cc1,Cc1ccccc1,362.2516556
14670,Oc1ccc2ccccc2c1/C=N/c1cc2nc3ccccc3nc2cc1/N=C/c1c(O)ccc2ccccc12,CC#N,420.0
14321,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)o1,C1CCOC1,447.0
14321,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)o1,CC#N,452.0
14321,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)o1,CCCCCC,424.0
14321,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)o1,CS(C)=O,464.0
14321,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)o1,Cc1ccccc1,447.0
14321,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)o1,ClCCl,454.0
3804,CCCCCCCCn1c2c(c3ccccc31)-c1c(c3ccccc3n1CCCCCCCC)-c1c(c3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc3n1CCCCCCCC)-c1c-2c2ccccc2n1CCCCCCCC,ClCCl,474.0
10645,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(-c3ccc(C(=O)O)cc3)cc2)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,585.0
3904,CCCCCCCc1ccc(C2=[N+]3C(=C4c5cc(OCC(CC)CC)c(-c6ccc(CCCCCCC)o6)n5[B-](F)(F)[n+]5nnn(c54)[B-]3(F)F)C=C2OCC(CC)CC)o1,C1CCOC1,811.0
3904,CCCCCCCc1ccc(C2=[N+]3C(=C4c5cc(OCC(CC)CC)c(-c6ccc(CCCCCCC)o6)n5[B-](F)(F)[n+]5nnn(c54)[B-]3(F)F)C=C2OCC(CC)CC)o1,ClCCl,826.0
6040,CCN(CC)c1ccc(N=Nc2ccncc2)cc1,CCO,500.0
12514,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nc(-c3ccccc3)c(-c3ccccc3)nc12)C(=O)O,CN(C)C=O,463.0
3167,CCCCCCCCCCCCOc1cc2c3c(ccc4c5c(OCCCCCCCCCCCC)cc6c7c(ccc(c1c34)c75)C(=O)N(C1CCCCC1)C6=O)C(=O)N(C1CCCCC1)C2=O,ClC(Cl)Cl,570.0
3168,CCCCCCCCCCCCOc1cc2c3c(ccc4c5c(SCCCCCCCCCCCC)cc6c7c(ccc(c1c34)c75)C(=O)N(C1CCCCC1)C6=O)C(=O)N(C1CCCCC1)C2=O,ClC(Cl)Cl,568.0
3226,CCCCCCCCCCCCSc1cc2c3c(ccc4c5c(SCCCCCCCCCCCC)cc6c7c(ccc(c1c34)c75)C(=O)N(C1CCCCC1)C6=O)C(=O)N(C1CCCCC1)C2=O,ClC(Cl)Cl,574.0
2309,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21,C1CCOC1,420.6666666666667
13894,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2cccc3c(N4CCOCC4)ccc1c23,C1CCOC1,427.0
13894,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2cccc3c(N4CCOCC4)ccc1c23,CC#N,424.0
13894,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2cccc3c(N4CCOCC4)ccc1c23,CCO,423.0
13894,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2cccc3c(N4CCOCC4)ccc1c23,CO,419.0
13894,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2cccc3c(N4CCOCC4)ccc1c23,ClCCl,427.0
3523,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCCCC)cc4)cc3)c3ccc(-c4ccc(C#Cc5cc6c(OCCCCCCCC)c7sc(-c8ccc(C(=O)O)s8)cc7c(OCCCCCCCC)c6s5)c5nsnc45)cc3)cc2)cc1,C1CCOC1,491.0
8776,COc1cc(OC)c2cc(-c3ccc(-c4cc5c(OC)cc(OC)cc5oc4=O)cc3)c(=O)oc2c1,ClC(Cl)Cl,372.0
9794,COc1ccc2cc(-c3ccc(-c4cc5ccc(OC)cc5oc4=O)cc3)c(=O)oc2c1,ClC(Cl)Cl,362.0
14552,O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,CC#N,342.0
14552,O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,CCO,346.0
14552,O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,CCOC(C)=O,342.0
14552,O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,CS(C)=O,346.0
14552,O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,Cc1ccccc1,346.0
14552,O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,ClC(Cl)Cl,346.0
1357,CC(C)CCOc1cc(/C=C/c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)-c3ccccc3C4(C)C)cc2)c(OCCC(C)C)cc1C=Cc1cc(OCCC(C)C)c(/C=C/c2cc(OCCC(C)C)c(C=C(C#N)C(=O)O)cc2OCCC(C)C)cc1OCCC(C)C,C1CCOC1,472.0
8668,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-]3(OC(=O)C(=O)O3)O2)ccc1O,CC#N,525.0
10447,Cc1cc(/C=C/c2c3ccccc3c(C)c3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10448,Cc1cc(/C=C/c2c3ccccc3cc3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,536.0
571,CC(=C1C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1,ClCCl,433.0
2546,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OCc3ccc(C(=O)O)cc3)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,677.0
12798,N#CC(=Cc1ccc2c(c1)CCc1ccccc1N2c1ccc(N)cc1)C(=O)O,CC#N,421.0
12799,N#CC(=Cc1ccc2c(c1)CCc1ccccc1N2c1ccc([N+](=O)[O-])cc1)C(=O)O,CC#N,409.0
9627,COc1ccc(N2c3ccccc3CCc3cc(C=C(C#N)C(=O)O)ccc32)cc1,CC#N,416.0
4189,CCCCCCOc1cc(-n2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5cn(-c6cc(OCCCCCC)c(/C=C(/C#N)C(=O)O)cc6OCCCCCC)nn5)cc4)cc3)nn2)c(OCCCCCC)cc1/C=C(/C#N)C(=O)O,C1COCCO1,405.0
7099,CCc1s[c+](N2CCCCC2)sc1-c1cc(C)cc(I)c1[O-],C1CCOC1,409.0
7099,CCc1s[c+](N2CCCCC2)sc1-c1cc(C)cc(I)c1[O-],CC#N,405.0
7099,CCc1s[c+](N2CCCCC2)sc1-c1cc(C)cc(I)c1[O-],CO,360.0
7099,CCc1s[c+](N2CCCCC2)sc1-c1cc(C)cc(I)c1[O-],ClCCl,406.0
10320,Cc1c(C)c(N2c3ccccc3Oc3ccccc32)c(C)c(C)c1B(c1c(C)c(C)c(N2c3ccccc3Oc3ccccc32)c(C)c1C)c1c(C)c(C)c(N2c3ccccc3Oc3ccccc32)c(C)c1C,CC(C)(C)c1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1,398.0
2164,CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,C1CCOC1,584.0
2164,CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,CCCCCC,583.0
2164,CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,CO,583.0
2164,CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,CS(C)=O,587.0
2164,CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,ClC(Cl)Cl,584.0
2164,CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,ClCCl,583.0
10955,Cc1ccc(-c2ccc(/C=C/c3cccs3)cn2)nc1,CC#N,348.0
6045,CCN(CC)c1ccc(Nc2cc3oc(-c4ccc(C#N)cc4)nc3c3ccccc23)c(C)c1,C1COCCO1,415.0
6046,CCN(CC)c1ccc(Nc2cc3oc(-c4ccc(C#N)cc4)nc3c3ccccc23)cc1,C1COCCO1,420.0
6046,CCN(CC)c1ccc(Nc2cc3oc(-c4ccc(C#N)cc4)nc3c3ccccc23)cc1,CC(C)=O,420.0
6046,CCN(CC)c1ccc(Nc2cc3oc(-c4ccc(C#N)cc4)nc3c3ccccc23)cc1,ClCCl,420.0
6046,CCN(CC)c1ccc(Nc2cc3oc(-c4ccc(C#N)cc4)nc3c3ccccc23)cc1,c1ccccc1,420.0
344,C(=N/c1ccc(-c2cn3nc(-c4cccs4)sc3n2)cc1)\c1ccc2ccc3cccc4ccc1c2c34,ClC(Cl)Cl,403.0
14523,O=c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c(=O)nc(-c3ccccc3)c1=2,CCO,547.0
5652,CCCCn1c(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)nc2c3ccccc3c3ccccc3c21,ClCCl,363.0
5637,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,C1CCOC1,452.0
5637,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,CN(C)C=O,452.0
5637,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,CO,452.0
5637,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,ClCCl,452.0
10074,CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CCO,400.0
10074,CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CN(C)C=O,409.0
10074,CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CO,400.0
10074,CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CS(C)=O,405.5
10074,CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,C1CCOC1,396.5
10074,CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CC#N,396.0
13482,O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)OC1C(=O)C=CC1=O,CO,340.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,ClCCl,439.0
14139,O=Cc1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,392.0
11764,Clc1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,345.0
12254,Ic1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,349.0
34,Brc1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,347.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,CCO,429.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,446.0
691,CC(=O)c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,380.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,438.0
12204,Fc1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,332.0
14391,O=[N+]([O-])c1cccc(/C=C/N(c2ccccc2)c2ccccc2)c1,Cc1ccccc1,341.0
363,C/C(=C\N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1,Cc1ccccc1,425.0
14396,O=[N+]([O-])c1ccccc1/C=C/N(c1ccccc1)c1ccccc1,Cc1ccccc1,412.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,431.0
8353,COC(=O)c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,370.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,C1COCCO1,425.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,CC#N,434.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,CCCCCC,404.0
13123,N#Cc1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,370.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,CC(C)=O,433.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,CO,430.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,COc1ccccc1OC,441.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,CS(C)=O,452.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,424.0
14330,O=[N+]([O-])c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)(Cl)Cl,416.0
9526,COc1ccc(N(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1,Cc1ccccc1,445.0
4648,CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc23)S1,CN(C)C=O,442.0
5618,CCCCc1ccc2cc3cc4ccccc4cc3cc2c1,ClCCl,446.0
3871,CCCCCCCCn1nc2c(-c3ccc(C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2n1,ClCCl,595.0
3864,CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2n1,ClCCl,629.0
11467,Cc1ccc2cc3c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4c4ccccc4n3c2c1,C1CCOC1,411.0
3017,CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2sc(-c4ccc(/C=C5\SC(SCC)=NC5=O)c5nsnc45)cc21)C(CCCCCCCC)(CCCCCCCC)c1cc(-c2ccc(/C=C4\SC(SCC)=NC4=O)c4nsnc24)sc1-3,ClC(Cl)Cl,639.0
2467,CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3/C=C(\c1ccccc1)[N+](=O)[O-],ClCCl,684.0
14469,O=c1c2cc3ccc4cccc5ccc(c2c(=O)n1-c1ccccc1)c3c45,ClC(Cl)Cl,431.0
2583,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(C=C(C#N)C(=O)O)cc2)s1,ClCCl,610.0
13541,O=C(O)C1=CC=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1,C1CCOC1,384.0
13541,O=C(O)C1=CC=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1,CC#N,387.0
1600,CC1(C)C(=O)C=Cc2ccc(N3CCC3)cc21,O,387.0
433,C1=CCC2C=c3ccccc3=C(c3oc4cccc5[n+]4c3-c3ccccc3-5)C2=C1,ClCCl,411.0
10140,C[N+]1=c2cc3c(cc2C(C)(C)CC1)=C(c1ccccc1C(=O)O)c1cc2c(cc1O3)Oc1cc3c(cc1=C2c1ccccc1C(=O)O)C(C)(C)CC[N+]=3C,ClC(Cl)Cl,590.0
15419,c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)C1(CC1)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2,Cc1ccccc1,307.0
12342,N#C/C(=C\c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,ClCCl,493.0
873,CC(C)(C)OC(=O)N[C@@H](CCn1cc(COc2ccc(-c3cc(-c4ccccc4)c4n3[B-](F)(F)[N+]3=C(c5ccc(OCCCS(=O)(=O)[O-])cc5)C=C(c5ccccc5)C3=N4)cc2)nn1)C(=O)O,O,688.0
872,CC(C)(C)OC(=O)NCCn1cc(COc2ccc(-c3cc(-c4ccccc4)c4n3[B-](F)(F)[N+]3=C(c5ccc(OCCCS(=O)(=O)[O-])cc5)C=C(c5ccccc5)C3=N4)cc2)nn1,O,692.0
1834,CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4cc(/C=C/c5ccc(/C=C(/C#N)C(=O)O)s5)oc4c3)cc21,CCO,479.0
5738,CCCCn1c2ccc(C#Cc3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2nc3ccccc3nc21,C1CCOC1,401.0
14762,[N-]=[N+]=NCCOc1ccc(/C=C/c2ccc3n2[B-](F)(F)[n+]2c4n(c5ccccc52)[B-](F)(F)[N+]2=CC=CC2=C34)cc1,ClCCl,694.0
13564,O=C(O)CCCCCOc1ccc(/C=C/c2ccc3n2[B-](F)(F)[n+]2c4n(c5ccccc52)[B-](F)(F)[N+]2=CC=CC2=C34)cc1,ClCCl,695.0
8521,COCCOCCOCCOc1cc(/C=C/c2ccc(C3=C4C(=O)N(CCOCCOC)C(c5ccc(/C=C/c6cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c6)cc5)=C4C(=O)N3CCOCCOC)cc2)cc(OCCOCCOCCOC)c1OCCOCCOCCOC,ClCCl,501.0
8521,COCCOCCOCCOc1cc(/C=C/c2ccc(C3=C4C(=O)N(CCOCCOC)C(c5ccc(/C=C/c6cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c6)cc5)=C4C(=O)N3CCOCCOC)cc2)cc(OCCOCCOCCOC)c1OCCOCCOCCOC,O,510.0
1782,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc43)cc21,CCO,435.0
1784,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)s5)ccc43)cc21,CCO,435.0
4466,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)s3)cc2)cc1,ClCCl,511.0
4468,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C(C#N)=CC(=O)O)cc5)c5nsnc45)s3)cc2)cc1,ClCCl,517.0
4474,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C=CC(=O)O)cc5)c5nsnc45)s3)cc2)cc1,ClCCl,502.0
4475,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(CC(=O)O)cc5)c5nsnc45)s3)cc2)cc1,ClCCl,487.0
4476,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(CCC(=O)O)cc5)c5nsnc45)s3)cc2)cc1,ClCCl,486.0
4452,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5c(C)cc(/C(C#N)=C/C(=O)O)cc5C)c5nsnc45)s3)cc2)cc1,ClCCl,482.0
4453,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5c(C)cc(/C=C/C(=O)O)cc5C)c5nsnc45)s3)cc2)cc1,ClCCl,480.0
4454,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5c(C)cc(C(=O)O)cc5C)c5nsnc45)s3)cc2)cc1,ClCCl,480.0
3724,CCCCCCCCc1cc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3nsnc23)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCO,470.0
3725,CCCCCCCCc1cc(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)c3nsnc23)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,490.0
7698,CN(C)c1ccc2c(c1)OC(c1ccccc1)=C/C2=C\C=C1/CCCC(/C=C/c2cc(-c3ccccc3)[o+]c3cc(N(C)C)ccc23)=C1Cl,ClCCl,1026.0
1980,CC1=CC(/C=C/c2ccc(N(C)C)cc2)=[N+]2C1=C(c1ccc(C#CCO[C@@H]3O[C@H](CO)[C@@H](O)C(O)[C@H]3O)cc1)c1c(C)cc(/C=C/c3ccc(N(C)C)cc3)n1[B-]2(F)F,CC#N,701.0
1991,CC1=CC(/C=C/c2ccc([N+](C)(C)C)cc2)=[N+]2C1=C(c1ccc(C#CCO[C@@H]3O[C@H](CO)[C@@H](O)C(O)[C@H]3O)cc1)c1c(C)cc(/C=C/c3ccc([N+](C)(C)C)cc3)n1[B-]2(F)F,CC#N,618.0
635,CC(=O)OC[C@H]1O[C@@H](OCC#Cc2ccc(C3=C4C(C)=CC(/C=C/c5ccc(N(C)C)cc5)=[N+]4[B-](F)(F)n4c(/C=C/c5ccc(N(C)C)cc5)cc(C)c43)cc2)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O,CC#N,701.0
636,CC(=O)OC[C@H]1O[C@@H](OCC#Cc2ccc(C3=C4C(C)=CC(/C=C/c5ccc([N+](C)(C)C)cc5)=[N+]4[B-](F)(F)n4c(/C=C/c5ccc([N+](C)(C)C)cc5)cc(C)c43)cc2)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O,CC#N,618.0
5040,CCCCCCn1c2cc(/C=C(\C#N)C(=O)O)sc2c2sc(-c3ccc(N(c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(CCC)CCC)c5ccc6c(c5)-c5ccccc5C6(CCC)CCC)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)cc21,ClCCl,529.0
8704,COc1cc(/C=C2/SC(=O)NC2=O)ccc1O,C1CCCCC1,348.0
8704,COc1cc(/C=C2/SC(=O)NC2=O)ccc1O,C1COCCO1,358.0
8704,COc1cc(/C=C2/SC(=O)NC2=O)ccc1O,CC#N,354.0
8704,COc1cc(/C=C2/SC(=O)NC2=O)ccc1O,CN(C)C=O,340.0
8704,COc1cc(/C=C2/SC(=O)NC2=O)ccc1O,CO,355.0
8704,COc1cc(/C=C2/SC(=O)NC2=O)ccc1O,O,355.0
8704,COc1cc(/C=C2/SC(=O)NC2=O)ccc1O,OCC(O)CO,367.0
8704,COc1cc(/C=C2/SC(=O)NC2=O)ccc1O,OCCO,361.0
13959,O=C1NC(=O)/C(=C\c2ccccc2O)S1,C1CCCCC1,347.0
13959,O=C1NC(=O)/C(=C\c2ccccc2O)S1,C1COCCO1,350.0
13959,O=C1NC(=O)/C(=C\c2ccccc2O)S1,CC#N,348.0
13959,O=C1NC(=O)/C(=C\c2ccccc2O)S1,CN(C)C=O,353.0
13959,O=C1NC(=O)/C(=C\c2ccccc2O)S1,CO,352.0
13959,O=C1NC(=O)/C(=C\c2ccccc2O)S1,O,351.0
13959,O=C1NC(=O)/C(=C\c2ccccc2O)S1,OCC(O)CO,364.0
13959,O=C1NC(=O)/C(=C\c2ccccc2O)S1,OCCO,360.0
8703,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,C1CCCCC1,354.0
8703,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,C1COCCO1,367.0
8703,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,CC#N,362.0
8703,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,CN(C)C=O,341.0
8703,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,CO,359.0
8703,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,O,358.0
8703,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,OCC(O)CO,364.0
8703,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,OCCO,370.0
14332,O=[N+]([O-])c1ccc(/C=C/c2c[nH]c3ccccc23)cc1,CC#N,410.0
14332,O=[N+]([O-])c1ccc(/C=C/c2c[nH]c3ccccc23)cc1,CCCCCCC,393.0
14332,O=[N+]([O-])c1ccc(/C=C/c2c[nH]c3ccccc23)cc1,CO,413.0
743,CC(=O)n1cc(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21,CC#N,377.0
743,CC(=O)n1cc(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21,CCCCCCC,363.0
743,CC(=O)n1cc(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21,CO,374.0
743,CC(=O)n1cc(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21,O,381.0
14332,O=[N+]([O-])c1ccc(/C=C/c2c[nH]c3ccccc23)cc1,O,418.0
15097,c1ccc(-c2nc(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)oc2-c2ccccc2)cc1,C1COCCO1,343.0
7913,CN(c1ccccc1)c1ccc(-c2ccc(-c3ccc(N(C)c4ccccc4)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1,ClC(Cl)Cl,476.0
3431,CCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(-c7ccc8c(c7)Sc7ccccc7N8CCCCCC)s6)=C5C(=O)N4CC(CC)CCCC)s3)ccc21,ClCCl,604.0
3916,CCCCCCN(CCCCCC)c1cc2c(C#Cc3ccc(/C=C(/C#N)C(=O)O)cc3)c3oc(N(CCCCCC)CCCCCC)cc3c(C#Cc3ccc(/C=C(/C#N)C(=O)O)cc3)c2o1,C1CCOC1,516.0
3917,CCCCCCN(CCCCCC)c1cc2c(C#Cc3ccc(/C=C(/C#N)C(=O)O)cc3)c3oc(N(CCCCCC)CCCCCC)cc3c(C#Cc3ccccc3)c2o1,C1CCOC1,477.0
1066,CC(C)(C)c1ccc(-n2c(-c3ccc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,365.0
2442,CCC1=C(C)C2=C(c3ccc(C(=O)O)cc3)C3=C(C)C(CC)C(C)=[N+]3[B-](C#COCCOC)(C#COCCOC)N2C1C,CC#N,520.0
4381,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,C1CCOC1,544.0
12369,N#C/C(=C\c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,522.0
4385,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(C=C(C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,C1CCOC1,544.0
12647,N#CC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,522.0
9809,COc1ccc2cc(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1,CC#N,392.0
9812,COc1ccc2cc(/C=C/c3ccccc3)c(=O)oc2c1,CC#N,366.0
14560,O=c1oc2ccccc2cc1/C=C/c1ccc([N+](=O)[O-])cc1,CC#N,371.0
14561,O=c1oc2ccccc2cc1/C=C/c1ccccc1,CC#N,351.0
8877,COc1cc2cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)cc3)c(=O)oc2cc1OC,CC#N,400.0
6226,CCN(CC)c1ccc2cc(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1,CC#N,459.0
8880,COc1cc2cc(/C=C/c3ccc(C=C(C#N)C(=O)O)cc3)c(=O)oc2cc1OC,CC#N,400.0
6228,CCN(CC)c1ccc2cc(/C=C/c3ccccc3)c(=O)oc2c1,CC#N,421.0
1205,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1c1ccccc1n2-c1ccccc1,Cc1ccccc1,375.0681199
12066,F[B-]1(F)n2c(-c3ccccc3)cnc2-c2cccc[n+]21,C1CCCCC1,412.0
12066,F[B-]1(F)n2c(-c3ccccc3)cnc2-c2cccc[n+]21,C1CCOC1,394.0
12066,F[B-]1(F)n2c(-c3ccccc3)cnc2-c2cccc[n+]21,C1COCCO1,394.0
12066,F[B-]1(F)n2c(-c3ccccc3)cnc2-c2cccc[n+]21,CC#N,384.0
12066,F[B-]1(F)n2c(-c3ccccc3)cnc2-c2cccc[n+]21,CCCCCC,412.0
12066,F[B-]1(F)n2c(-c3ccccc3)cnc2-c2cccc[n+]21,CO,382.0
12066,F[B-]1(F)n2c(-c3ccccc3)cnc2-c2cccc[n+]21,ClC(Cl)Cl,369.0
2149,CC1=[N+]2C(=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,593.0
2149,CC1=[N+]2C(=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,596.0
1645,CC1(C)CC(/C=C/c2ccc(N3CCOCCOCCOCCOCC3)cc2)=CC(=C(C#N)C#N)C1,C1CCOC1,500.0
1645,CC1(C)CC(/C=C/c2ccc(N3CCOCCOCCOCCOCC3)cc2)=CC(=C(C#N)C#N)C1,CC#N,493.0
1645,CC1(C)CC(/C=C/c2ccc(N3CCOCCOCCOCCOCC3)cc2)=CC(=C(C#N)C#N)C1,CCO,504.0
1645,CC1(C)CC(/C=C/c2ccc(N3CCOCCOCCOCCOCC3)cc2)=CC(=C(C#N)C#N)C1,CCOC(C)=O,496.0
1645,CC1(C)CC(/C=C/c2ccc(N3CCOCCOCCOCCOCC3)cc2)=CC(=C(C#N)C#N)C1,ClCCl,502.0
1645,CC1(C)CC(/C=C/c2ccc(N3CCOCCOCCOCCOCC3)cc2)=CC(=C(C#N)C#N)C1,c1ccccc1,500.0
2992,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)cc3)cc21,C1CCOC1,475.0
2561,CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)cc3)cc21,C1CCOC1,479.0
2973,CCCCCCCCC(CCCCCC)Cn1c2ccc3cccc4c5cccc6c(C#Cc7ccc(-c8ccc(C(=O)O)cc8)c8nsnc78)cc1c(c65)c2c34,C1CCOC1,498.0
13101,N#Cc1ccc(-c2nc3nccc(-c4ccc(N5CCCCC5)cc4)n3n2)cc1,ClCCl,400.0
491,C=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1,CO,296.0
5610,CCCCc1ccc(C#Cc2ccc3nc4ccc(C#Cc5ccc(CCCC)cc5)cn4c(=O)c3c2)cc1,ClCCl,383.0
14451,O=c1c2cc(C#Cc3ccc(Cl)cc3)ccc2nc2ccc(C#Cc3ccc(Cl)cc3)cn12,ClCCl,382.0
14452,O=c1c2cc(C#Cc3ccccc3)ccc2nc2ccc(C#Cc3ccccc3)cn12,ClCCl,381.0
5893,CCCc1ccc(C#Cc2ccc3nc4ccc(C#Cc5ccc(CCC)cc5)cn4c(=O)c3c2)cc1,ClCCl,384.0
11084,Cc1ccc(C#Cc2ccc3nc4ccc(C#Cc5ccc(C)cc5)cn4c(=O)c3c2)cc1,ClCCl,385.0
9352,COc1ccc(C#Cc2ccc3nc4ccc(C#Cc5ccc(OC)cc5)cn4c(=O)c3c2)cc1,ClCCl,385.0
14857,c1cc2c3c(cccc3c1)-c1c-2ccc2c1ccc1ccccc12,CCCCCCC,405.0
12491,N#C/C(=C\c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccncc2)cc1,ClCCl,356.0
223,C(=C/c1ccc(-c2ccncc2)cc1)\c1ccc(-c2ccncc2)cc1,ClCCl,345.0
12257,N#C/C(=C(/C#N)c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccncc2)cc1,ClCCl,343.0
1196,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3cc4c(s3)-c3sc(/C=C(\C#N)C(=O)O)cc3C4(C)C)s2)s1,C1CCOC1,501.0
3573,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3cc4sc5c6sc7cc(/C=C(\C#N)C(=O)O)sc7c6c6cc(OCC(CC)CCCC)c(OCC(CC)CCCC)cc6c5c4s3)cc2)cc1,C1CCOC1,498.0
9130,COc1ccc(-c2nc(N)nc(C#N)c2C#N)cc1OC,C1COCCO1,347.0
9130,COc1ccc(-c2nc(N)nc(C#N)c2C#N)cc1OC,CC#N,359.0
9130,COc1ccc(-c2nc(N)nc(C#N)c2C#N)cc1OC,CC(C)=O,348.0
9130,COc1ccc(-c2nc(N)nc(C#N)c2C#N)cc1OC,CCO,350.0
9130,COc1ccc(-c2nc(N)nc(C#N)c2C#N)cc1OC,CCOC(C)=O,356.0
9130,COc1ccc(-c2nc(N)nc(C#N)c2C#N)cc1OC,CO,346.0
4075,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)ccc21,ClCCl,466.0
4061,CCCCCCN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,C1CCOC1,450.0
4077,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,469.0
4465,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc2)cc1,ClC(Cl)Cl,495.0
4702,CCCCCCc1cc(-c2cc(CCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,CC#N,420.0
4860,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2CCCCCC)s1,ClC(Cl)Cl,489.0
12656,N#CC(=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,ClC(Cl)Cl,503.0
2683,CCCCC(CC)Cc1cc(-c2sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3CC(CC)CCCC)cc2CC(CC)CCCC)sc1/C=C(\C#N)C(=O)O,C1CCOC1,454.0
12400,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,C1CCOC1,477.3333333333333
12400,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,ClCCl,495.0
4822,CCCCCCc1cc(-c2sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,C1CCOC1,456.0
4880,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2CCCCCC)s1,ClC(Cl)Cl,489.0
4936,CCCCCCc1ccc(-n2c3c4cccc(OC)c4nc(-c4ccc(C)cc4)c3c3c2c2c(-c4ccc(C)cc4)nc4c(OC)cccc4c2n3-c2ccc(CCCCCC)cc2)cc1,ClC(Cl)Cl,315.0
4937,CCCCCCc1ccc(-n2c3c4cccc(OC)c4nc(-c4ccc(OC)cc4)c3c3c2c2c(-c4ccc(OC)cc4)nc4c(OC)cccc4c2n3-c2ccc(CCCCCC)cc2)cc1,ClC(Cl)Cl,317.0
5604,CCCCc1ccc(-n2c3c4cc(F)ccc4nc(-c4ccc(OC)cc4)c3c3c2c2c(-c4ccc(OC)cc4)nc4ccc(F)cc4c2n3-c2ccc(CCCC)cc2)cc1,ClC(Cl)Cl,305.0
5606,CCCCc1ccc(-n2c3c4ccc(C(F)(F)F)cc4nc(-c4ccc(C#N)cc4)c3c3c2c2c(-c4ccc(C#N)cc4)nc4cc(C(F)(F)F)ccc4c2n3-c2ccc(CCCC)cc2)cc1,ClC(Cl)Cl,318.0
9195,COc1ccc(-n2c3c4ccccc4nc(-c4ccc(C#N)cc4)c3c3c2c2c(-c4ccc(C#N)cc4)nc4ccccc4c2n3-c2ccc(OC)cc2)cc1,ClC(Cl)Cl,315.0
3753,CCCCCCCCc1ccc(-n2c3c4ccccc4nc(-c4ccc(C#N)cc4)c3c3c2c2c(-c4ccc(C#N)cc4)nc4ccccc4c2n3-c2ccc(CCCCCCCC)cc2)cc1,ClC(Cl)Cl,314.0
4935,CCCCCCc1ccc(-n2c3c4cccc(OC)c4nc(-c4ccc(C#N)cc4)c3c3c2c2c(-c4ccc(C#N)cc4)nc4c(OC)cccc4c2n3-c2ccc(CCCCCC)cc2)cc1,ClC(Cl)Cl,322.0
3816,CCCCCCCCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,442.0
10684,Cc1cc(C)c(B(c2cc3ccc4cccc5ccc(c2)c3c45)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,413.0
9003,COc1ccc(-c2cc3c(o2)=CC2=Cc4c(C)cc(C)n4[B-](F)(F)[N+]=32)c(OC)c1,ClC(Cl)Cl,596.0
3779,CCCCCCCCc1nc2cnccn2c1NC1CCCCC1,CS(C)=O,329.0
3918,CCCCCCN(CCCCCC)c1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc5c(c4)C4CCCC4N5c4ccc5c(c4)C(CCC)(CCC)c4ccccc4-5)cc32)cc1,ClCCl,536.0
6905,CCOc1ccc(N(c2ccc(OCC)cc2)c2ccc(-c3ccc(-c4ccc5c(c4)sc4c[n+](CCCS(=O)(=O)[O-])ccc45)s3)cc2)cc1,CS(C)=O,465.0
2277,CCC(CC)c1ccc2cc3c([o+]c2c1)/C(=C/Cc1ccccc1)CCC3,CCO,604.0
2277,CCC(CC)c1ccc2cc3c([o+]c2c1)/C(=C/Cc1ccccc1)CCC3,ClC(Cl)Cl,616.0
2277,CCC(CC)c1ccc2cc3c([o+]c2c1)/C(=C/Cc1ccccc1)CCC3,ClCCl,615.0
4770,CCCCCCc1cc(-c2ccc(O)c(C#N)c2)sc1-c1cc(C)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,ClCCl,364.0
12399,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)cc1)C(=O)O,ClCCl,447.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,CO,423.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,CS(C)=O,428.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,Cc1ccccc1,407.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,ClC(Cl)Cl,425.0
14556,O=c1oc2ccccc2cc1-c1cn2ccccc2n1,ClC(Cl)Cl,349.0
6190,CCN(CC)c1ccc2cc(-c3cn4cc(C)ccc4n3)c(=O)oc2c1,ClC(Cl)Cl,424.0
6191,CCN(CC)c1ccc2cc(-c3cn4cc(OC)ccc4n3)c(=O)oc2c1,ClC(Cl)Cl,434.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,ClCCl,429.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,C1CCOC1,408.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,CC#N,421.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,CCO,424.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,CCOC(C)=O,407.0
6193,CCN(CC)c1ccc2cc(-c3cn4ccccc4n3)c(=O)oc2c1,CN(C)C=O,425.0
93,C#Cc1ccc(C#Cc2cnc(C#Cc3ccccc3)nc2)cc1,C1CCCCC1,325.0
2033,CC1=CC(C)(C)Nc2ccc3c(-c4ccc5ccccc5c4)c4ccc(=[NH2+])cc-4oc3c21,O,540.0
5880,CCCc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3c4c(ccc23)NC(C)(C)C=C4C)cc1,O,500.0
9872,COc1cccc(-c2c3ccc(=[NH2+])cc-3n(C)c3c4c(ccc23)NC(C)(C)C=C4C)c1,O,500.0
8611,COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3n(C)c3c4c(ccc23)NC(C)(C)C=C4C)cc1C,O,505.0
2038,CC1=CC(C)(C)Nc2ccc3c(-c4cccc(F)c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
2040,CC1=CC(C)(C)Nc2ccc3c(-c4ccccc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
2011,CC1=CC(C)(C)Nc2ccc3c(-c4cc(C)cc(C)c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,505.0
2013,CC1=CC(C)(C)Nc2ccc3c(-c4cc(F)c(F)c(F)c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,505.0
2016,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(C(C)(C)C)cc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
2017,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(C)cc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
8934,COc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3c4c(ccc23)NC(C)(C)C=C4C)cc1,O,500.0
10034,CSc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3c4c(ccc23)NC(C)(C)C=C4C)cc1,O,500.0
2023,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(F)c(C)c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
2025,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(F)c(Cl)c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
2026,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(F)cc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,505.0
1360,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4cc5nc(C(=O)O)c(C(=O)O)nc5cc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,C1CCOC1,413.0
8136,COC(=O)C(C)(C)C1Oc2ccc(Cl)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,ClCCl,367.0
8137,COC(=O)C(C)(C)C1Oc2ccc(F)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,ClCCl,367.0
8139,COC(=O)C(C)(C)C1Oc2ccc(OC)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,ClCCl,390.0
8140,COC(=O)C(C)(C)C1Oc2ccc(OC)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(OC)cc1,ClCCl,392.0
8142,COC(=O)C(C)(C)C1Oc2ccccc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,ClCCl,358.0
8143,COC(=O)C(C)(C)C1Oc2ccccc2C(=O)/C1=C\NS(=O)(=O)c1ccc(OC)cc1,ClCCl,358.0
7077,CCc1ccc2c(c1)C(=O)/C(=C\NS(=O)(=O)c1ccc(C)cc1)C(C(C)(C)C(=O)OC)O2,C1CCCCC1,364.0
7077,CCc1ccc2c(c1)C(=O)/C(=C\NS(=O)(=O)c1ccc(C)cc1)C(C(C)(C)C(=O)OC)O2,CC#N,369.0
7077,CCc1ccc2c(c1)C(=O)/C(=C\NS(=O)(=O)c1ccc(C)cc1)C(C(C)(C)C(=O)OC)O2,ClCCl,370.0
8132,COC(=O)C(C)(C)C1Oc2ccc(Br)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,ClCCl,343.0
8133,COC(=O)C(C)(C)C1Oc2ccc(C(C)C)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,ClCCl,368.0
8134,COC(=O)C(C)(C)C1Oc2ccc(C)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,C1CCCCC1,364.0
8134,COC(=O)C(C)(C)C1Oc2ccc(C)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,CC#N,380.0
8134,COC(=O)C(C)(C)C1Oc2ccc(C)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(C)cc1,ClCCl,367.0
8135,COC(=O)C(C)(C)C1Oc2ccc(C)cc2C(=O)/C1=C\NS(=O)(=O)c1ccc(OC)cc1,ClCCl,367.0
9211,COc1ccc(-n2nc(C#N)c(N3CCCCCC3)n2)cc1,CC#N,344.0
12385,N#C/C(=C\c1ccc(-c2cc3sc(-c4ccc5c(c4)N(c4ccccc4)C4C6CCC(C6)C54)cc3s2)s1)C(=O)O,ClCCl,526.0
13542,O=C(O)C1=CC=C(c2ccc3c(c2)CCN3c2ccccc2)CC1,C1CCOC1,395.0
15287,c1ccc(N(c2ccccc2)c2ccc(-n3ccc4cc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc43)cc2)cc1,ClCCl,308.0
8087,CNc1ccc2c3c(ccc2c1)C(c1ccccc1C(=O)[O-])=c1cc2c4c(c1O3)CCC[N+]=4CCC2,O,585.0
13746,O=C(O)c1ccc(C2=c3cc4c5c(c3Oc3c2ccc2cc(O)ccc32)CCC[N+]=5CCC4)c(C(=O)O)c1,O,569.0
8412,COC(=O)c1ccccc1C1=c2cc3c4c(c2Oc2c1ccc1cccc(N)c21)CCC[N+]=4CCC3,O,601.0
8413,COC(=O)c1ccccc1C1=c2cc3c4c(c2Oc2c1ccc1cccc(O)c21)CCC[N+]=4CCC3,O,585.0
8414,COC(=O)c1ccccc1C1=c2cc3c4c(c2Oc2c1ccc1cccc(OC)c21)CCC[N+]=4CCC3,O,582.0
13403,Nc1ccc2c3c(ccc2c1)C(c1ccccc1C(=O)[O-])=c1cc2c4c(c1O3)CCC[N+]=4CCC2,O,577.0
5639,CCCCn1c(-c2ccc(-c3ccc(C=O)o3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,380.0
13533,O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C[C@H](C(=O)O)N1,[2H]O[2H],535.0
13532,O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1,CO,533.0
13532,O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1,O,535.0
13532,O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1,OCCO,539.0
13532,O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1,[2H]O[2H],536.0
13533,O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C[C@H](C(=O)O)N1,CO,535.0
13533,O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C[C@H](C(=O)O)N1,O,536.0
13533,O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C[C@H](C(=O)O)N1,OCCO,541.0
11715,Cc1occc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,426.0
2765,CCCCC1(CCCC)c2cc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc(-c6ccc(CC=C(C#N)C(=O)O)s6)s5)ccc3-4)c3ccc4c(c3)c3ccccc3n4CC)cc21,C1CCOC1,506.0
14586,OCc1cc(/N=N/c2ccc(-c3ccc4ccccc4c3)cc2F)ccc1O,CS(C)=O,392.0
14590,OCc1cc(/N=N\c2ccc(-c3ccc4ccccc4c3)cc2F)ccc1O,CS(C)=O,312.0
11284,Cc1ccc(N2c3cc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)ccc3C3CCCC32)cc1,ClCCl,529.0
2640,CCCCC(CC)COc1cc(OCCC(CC)CCC)cc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)s4)cc3)c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)cc2)c1,ClCCl,491.0
2659,CCCCC(CC)COc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)cc6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)s4)cc3)c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)cc2)c(OCC(CC)CCCC)c1,ClCCl,491.0
8168,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(OC(=O)c4ccccc4)cc3OC(=O)c3ccccc3)nc2c1,CC#N,306.0
8168,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(OC(=O)c4ccccc4)cc3OC(=O)c3ccccc3)nc2c1,CC1CCCCC1,323.0
8168,COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(OC(=O)c4ccccc4)cc3OC(=O)c3ccccc3)nc2c1,CO,306.0
3717,CCCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCCC)cc2)cc1,CC#N,264.0
10255,C[n+]1ccc(-c2cc[n+](C)cc2)cc1,CC#N,260.0
14765,[NH2+]=C1c2cccn2[B-](F)(F)n2cccc21,CO,399.0
14765,[NH2+]=C1c2cccn2[B-](F)(F)n2cccc21,CCOC(C)=O,406.0
3892,CCCCCCCCn1nc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1,C1CCOC1,500.0
741,CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CCO,333.0
741,CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CCOC(C)=O,326.0
741,CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CCOCC,326.0
741,CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,ClCCl,328.0
741,CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CC#N,332.0
741,CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CCCCCC,324.0
2381,CCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21,CN(C)C=O,477.0
11971,FC(F)(F)c1ccc(-n2c(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccc(C(F)(F)F)cc7)cc6)c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccc(C(F)(F)F)cc7)cc6)cc5)cc4)c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(C(F)(F)F)cc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,376.0
11010,Cc1ccc(-n2c(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccc(C)cc7)cc6)c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccc(C)cc7)cc6)cc5)cc4)c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(C)cc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,376.0
1067,CC(C)(C)c1ccc(-n2c(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccc(C(C)(C)C)cc7)cc6)c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccc(C(C)(C)C)cc7)cc6)cc5)cc4)c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(C(C)(C)C)cc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,377.0
15150,c1ccc(-n2c(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccccc7)cc6)c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccccc7)cc6)cc5)cc4)c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccccc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,376.0
11800,Clc1cnc2nn3ccccc3c2n1,C1CCOC1,404.0
4736,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(/C=C/c4ccc5c(c4)c4c6c(c7ccccc7n6CC(CC)CCCC)c6c(c7ccccc7n6CC(CC)CCCC)c4n5CC(CC)CCCC)s3)c3nsnc23)sc1C#Cc1ccc(C(=O)O)cc1,ClCCl,544.0
15397,c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2cc2ccccc12,Cc1ccccc1,426.0
1852,CC1(C)c2ccccc2N(c2cc[n+]3c(c2)-c2ccccc2O[B-]3(F)F)c2ccccc21,Cc1ccccc1,358.0
4328,CCCCCCOc1ccc(C2CC(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)=NN2c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,C1CCOC1,505.0
6795,CCOC(=O)c1ccc(C2CC(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)=NN2c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,C1CCOC1,496.0
11481,Cc1ccc2nc(-c3ccc(N4N=C(c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)s5)CC4c4ccc(N(C)C)cc4)cc3)sc2c1,C1CCOC1,510.0
11482,Cc1ccc2nc(-c3ccc(N4N=C(c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)s5)CC4c4ccccc4)cc3)sc2c1,C1CCOC1,502.0
2777,CCCCC1(CCCC)c2cc(C#Cc3ccc(C=C4c5ccccc5-c5ccccc54)cc3)ccc2-c2ccc(C#Cc3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,C1CCOC1,380.0
15022,c1ccc(-c2cnn(-c3ccccn3)n2)cc1,CO,276.0
10929,Cc1ccc(-c2c3nc(c(-c4ccco4)c4ccc(s4)c(-c4ccco4)c4nc(c(-c5ccc(C)cc5)c5ccc2s5)C=C4)C=C3)cc1,ClCCl,448.0
992,CC(C)(C)c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,341.0
991,CC(C)(C)c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C#N)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,340.0
4716,CCCCCCc1cc(-c2cc3c4nn(C[C@@H](CC)CCCC)nc4c4cc(-c5ccc6c7ccccc7n(C[C@@H](CC)CCCC)c6c5)sc4c3s2)sc1/C=C(\C#N)C(=O)O,C1CCOC1,464.0
5567,CCCC[C@H](CC)Cn1nc2c3cc(-c4ccc5c6ccccc6n(C[C@@H](CC)CCCC)c5c4)sc3c3sc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3c2n1,C1CCOC1,470.0
2756,CCCCC(CC)Cn1nc2c3cc(-c4ccc5c6ccccc6n(CC(CC)CCCC)c5c4)sc3c3sc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3c2n1,C1CCOC1,470.0
4714,CCCCCCc1cc(-c2cc3c4nn(CC(CC)CCCC)nc4c4cc(-c5ccc6c7ccccc7n(CC(CC)CCCC)c6c5)sc4c3s2)sc1/C=C(/C#N)C(=O)O,C1CCOC1,464.0
15244,c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1,Cc1ccccc1,461.0
7960,CN1C(=CC2=C([O-])C(=Cc3oc4ccccc4[n+]3C)C2=C(C#N)C#N)C(C)(C)c2ccccc21,ClC(Cl)Cl,655.0
11805,Clc1nc(Nc2ccccc2)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,C1COCCO1,444.0
11805,Clc1nc(Nc2ccccc2)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CC#N,443.0
11805,Clc1nc(Nc2ccccc2)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CCCCOCCCC,443.0
11805,Clc1nc(Nc2ccccc2)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CCOC(C)=O,442.0
9282,COc1ccc(/C=C/c2ccc(-c3ccc(C)cn3)nc2)cc1,CC#N,345.0
10948,Cc1ccc(-c2ccc(/C=C/c3ccc(C#N)cc3)cn2)nc1,CC#N,343.0
10949,Cc1ccc(-c2ccc(/C=C/c3ccc(Cl)cc3)cn2)nc1,CC#N,337.0
10950,Cc1ccc(-c2ccc(/C=C/c3ccc(F)cc3)cn2)nc1,CC#N,334.0
10951,Cc1ccc(-c2ccc(/C=C/c3ccc(N(C)C)cc3)cn2)nc1,CC#N,383.0
10952,Cc1ccc(-c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cn2)nc1,CC#N,349.0
10953,Cc1ccc(-c2ccc(/C=C/c3ccccc3)cn2)nc1,CC#N,335.0
353,C(S/C=C/c1ccc(-c2ccc(/C=C/SC=C3CCCCCC3)cc2)cc1)=C1CCCCCC1,ClCCl,353.0
7795,CN(CCCCCC(=O)ON1C(=O)C=CC1=O)c1ccc([N+](=O)[O-])c2nonc12,CO,466.0
4140,CCCCCCN1c2ccccc2Sc2cc(/C=C3\C(=O)c4ccc(C(=O)O)cc4C3=O)ccc21,CN(C)C=O,504.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CC#N,382.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CC(C)=O,382.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CCO,395.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CCOCC,378.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CN(C)C=O,390.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CO,398.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CS(C)=O,395.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,ClC(Cl)(Cl)Cl,379.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,ClC(Cl)Cl,391.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,C1CCCCC1,372.0
7191,CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,C1CCOC1,385.0
7928,CN1/C(=C/C=C/C2=[N+](C)c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3C2(C)C)C(C)(C)c2c1c(F)c(F)c1c(F)c(F)c(F)c(F)c21,ClCCl,542.0
7929,CN1/C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,ClCCl,554.0
6060,CCN(CC)c1ccc2c(-c3ccc4cc(OC)ccc4c3)c3ccc(=[NH2+])cc-3[nH]c2c1,O,485.0
6061,CCN(CC)c1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3[nH]c2c1,O,485.0
9786,COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4n(C)c4cc(N(C)C)ccc34)ccc2c1,O,475.0
7659,CN(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,485.0
6761,CCOC(=O)c1cc(C)n2nc(-c3ccccc3)ccc12,C1CCCCC1,390.0
7078,CCc1ccc2ccc(-c3ccccc3)nn12,C1CCCCC1,405.0
8262,COC(=O)c1c(C(=O)OC)c2ccc(-c3ccccc3)nn2c1C,C1CCCCC1,397.6
12117,F[B-]1(F)n2c(ccc2-n2cnc3ccccc32)C(c2cccs2)=C2C=CC(n3cnc4ccccc43)=[N+]21,ClCCl,559.0
14729,S=P1(c2ccccc2)c2cccc3c4c5ccccc5c5ccccc5c4c4ccc1n4c23,ClCCl,422.0
14490,O=c1c2ccccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,CC#N,334.0
14490,O=c1c2ccccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,ClCCl,353.0
14450,O=c1c2cc(Br)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,CC#N,343.0
14450,O=c1c2cc(Br)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,ClCCl,358.0
14454,O=c1c2cc(Cl)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,CC#N,345.0
14454,O=c1c2cc(Cl)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,ClCCl,345.0
14464,O=c1c2cc(F)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,CC#N,337.0
14464,O=c1c2cc(F)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,ClCCl,350.0
14465,O=c1c2cc(I)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,CC#N,345.0
14465,O=c1c2cc(I)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,ClCCl,362.0
9105,COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C#N)cc3)n2)cc1,CC#N,401.0
9105,COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C#N)cc3)n2)cc1,CCO,403.0
9105,COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C#N)cc3)n2)cc1,CN(C)C=O,481.0
9105,COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C#N)cc3)n2)cc1,Cc1ccccc1,405.0
9105,COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C#N)cc3)n2)cc1,ClCCl,404.0
12619,N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CCO,398.0
12619,N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CN(C)C=O,477.0
12619,N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,Cc1ccccc1,401.0
12619,N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,ClCCl,399.0
12619,N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CC#N,396.0
6427,CCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])=c1cc2c(cc1C3(C)C)=[N+](CC)CCC2,CCO,683.0
6429,CCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1ccccc1C(=O)[O-])=c1cc2c(cc1C3(C)C)=[N+](CC)CCC2,CCO,653.0
1705,CC1(C)OB(c2ccc3c(c2)B2Nc4ccccc4C=C2C(c2ccccc2)=C3c2ccccc2)OC1(C)C,ClCCl,390.0
1409,CC(C)[Si](C#Cc1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc12)(C(C)C)C(C)C,C1CCOC1,500.0
5582,CCCCc1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c(CCCC)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc12,C1CCOC1,475.0
14117,O=Cc1cc2c(cc3ccc4cccc5ccc2c3c45)[nH]1,CCOC(C)=O,416.0
14593,OCc1cc2c(cc3ccc4cccc5ccc2c3c45)[nH]1,CCOC(C)=O,388.0
10178,C[Si](C)(C)c1cc2c(cc3ccc4cccc5ccc2c3c45)[nH]1,CCOC(C)=O,392.0
14891,c1cc2ccc3cc4[nH]ccc4c4ccc(c1)c2c34,CCOC(C)=O,384.0
876,CC(C)(C)OC(=O)n1ccc2c3ccc4cccc5ccc(cc21)c3c54,CCOC(C)=O,371.0
8325,COC(=O)c1cc2c(cc3ccc4cccc5ccc2c3c45)[nH]1,C1CCOC1,400.0
13688,O=C(O)c1cc2c(cc3ccc4cccc5ccc2c3c45)[nH]1,CCOC(C)=O,398.0
41,Brc1ccc(N(c2ccc(/C=C/c3ccncn3)cc2)c2ccc(/C=C/c3ccncn3)cc2)cc1,ClCCl,417.0
10068,CSc1nccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccnc(SC)n4)cc3)cc2)n1,ClCCl,430.0
265,C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccncn3)cc2)cc1,ClCCl,422.0
11478,Cc1ccc2nc(-c3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)c(NC(C)(C)C)n2c1,ClC(Cl)Cl,327.45
837,CC(C)(C)Nc1c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)nc2c(Br)cccn12,ClC(Cl)Cl,329.73
838,CC(C)(C)Nc1c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)nc2c(Cl)cc(Cl)cn12,ClC(Cl)Cl,329.18
839,CC(C)(C)Nc1c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)nc2ccc(F)cn12,ClC(Cl)Cl,330.3
840,CC(C)(C)Nc1c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)nc2ccccn12,ClC(Cl)Cl,324.3
6618,CCOC(=O)CNc1c(-c2cc(-c3ccc(F)cc3)n(-c3ccccc3)n2)nc2ccc(Cl)cn12,ClC(Cl)Cl,332.0
11615,Cc1cccn2c(NC(C)(C)C)c(-c3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)nc12,ClC(Cl)Cl,315.21
843,CC(C)(C)Nc1c(-c2nn(-c3ccccc3)c(-c3cccc(Br)c3)c2I)nc2ccccn12,ClC(Cl)Cl,320.0
11621,Cc1ccn2c(NC(C)(C)C)c(-c3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)nc2c1,ClC(Cl)Cl,317.12
11561,Cc1cccc2nc(-c3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)c(NC(C)(C)C)n12,ClC(Cl)Cl,328.02
15212,c1ccc(C2=C(c3ccccc3)c3cccc4c3c(cc3nc5cc(-c6ccccc6)c(-c6ccccc6)cc5nc34)O2)cc1,ClCCl,507.0
12682,N#CC(=Cc1ccc(-c2ccc(C(=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)o1)C(=O)O,ClCCl,310.0
8746,COc1cc(N(CC(=O)[O-])CC(=O)[O-])c2nc(COc3cc(C)ccc3N(CC(=O)[O-])CC(=O)[O-])ccc2c1,O,356.0
2036,CC1=CC(C)(C)Nc2ccc3c(-c4cccc(CN5CCOCC5)c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
12723,N#CC(=Cc1ccc(-c2nc(Cl)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1)C(=O)O,CN(C)C=O,397.0
7774,CN(C)c1nc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1,CN(C)C=O,374.0
2383,CCC1(CC)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc(C=C(C#N)c4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,C1CCOC1,560.0
2383,CCC1(CC)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc(C=C(C#N)c4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,Cc1ccccc1,578.0
11783,Clc1ccc2c(-c3ccccc3)c(-c3ccccc3)[n+]3c4ccccc4c(-c4ccccc4)c(-c4ccccc4)c3c2c1,ClCCl,465.0
11989,FC(F)(F)c1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccccc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,462.0
8386,COC(=O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)c3c4ccc(OC)cc4c(-c4ccccc4)c(-c4ccccc4)[n+]3c2c1,ClCCl,447.0
8387,COC(=O)c1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccccc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,467.0
8388,COC(=O)c1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)c1c3ccc(OC)cc3c(-c3ccccc3)c(-c3ccccc3)[n+]21,ClCCl,448.0
9723,COc1ccc2c(c1)c(-c1ccc(C(C)(C)C)cc1)c(-c1ccc(C(C)(C)C)cc1)[n+]1c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c(-c3ccc(C(C)(C)C)cc3)c21,ClCCl,452.0
9724,COc1ccc2c(c1)c(-c1ccc(C(F)(F)F)cc1)c(-c1ccc(C(F)(F)F)cc1)[n+]1c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c21,ClCCl,438.0
9725,COc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(-c1ccc(Cl)cc1)[n+]1c3ccccc3c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c21,ClCCl,445.0
9726,COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3cc(Cl)ccc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,453.0
9729,COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccc(Cl)cc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,447.0
9730,COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccc(F)cc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,443.0
9728,COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccc(C)cc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,445.0
9732,COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccc(OC)cc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,452.0
9733,COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccccc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,444.0
7712,CN(C)c1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccccc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,507.0
1181,CC(C)(C)c1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccccc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,450.0
6782,CCOC(=O)c1ccc(-c2c(-c3ccc(C(=O)OCC)cc3)[n+]3c4ccccc4c(-c4ccc(C(=O)OCC)cc4)c(-c4ccc(C(=O)OCC)cc4)c3c3ccc(OC)cc23)cc1,ClCCl,442.0
14923,c1ccc(-c2c(-c3ccccc3)[n+]3c4ccccc4c(-c4ccccc4)c(-c4ccccc4)c3c3ccccc23)cc1,ClCCl,454.0
8902,COc1ccc(-c2c(-c3ccc(OC)cc3)[n+]3c4ccccc4c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)c3c3ccccc23)cc1,ClCCl,493.0
3356,CCCCCCCCN(c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1,C1CCOC1,506.0
503,C=CC1CN2CCC1CC2[C@@H](OCc1ccccc1)c1ccnc2ccc(O)cc12,C1CCOC1,338.0
503,C=CC1CN2CCC1CC2[C@@H](OCc1ccccc1)c1ccnc2ccc(O)cc12,CC#N,335.0
503,C=CC1CN2CCC1CC2[C@@H](OCc1ccccc1)c1ccnc2ccc(O)cc12,CCCC#N,337.0
503,C=CC1CN2CCC1CC2[C@@H](OCc1ccccc1)c1ccnc2ccc(O)cc12,Cc1ccccc1,335.0
503,C=CC1CN2CCC1CC2[C@@H](OCc1ccccc1)c1ccnc2ccc(O)cc12,ClCCl,334.0
15560,c1csc(-c2nc3c4ccccc4c4cccc2n43)c1,CO,469.0
13657,O=C(O)C[C@H]1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,ClCCl,476.0
1866,CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)n(-c4ccccc4)n3)cc2)c2ccccc21,ClCCl,342.0
3378,CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc(N(c4ccccc4)c4ccc(/C=c5/s/c(=C6/SC(=S)N(CCCCCCCC)C6=O)n(CC(=O)O)c5=O)cc4)cc3)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,535.0
1676,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)s2)c(=O)oc31,C1CCOC1,532.0
10419,Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1N1c2ccccc2CCc2ccccc21,Cc1ccccc1,374.7311828
10415,Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1N1c2ccccc2CCc2ccccc21,Cc1ccccc1,392.7419355
15087,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5CCc5ccccc54)cc3)n2)cc1,Cc1ccccc1,366.6666667
14903,c1cc2ccc3cccc4c(-c5ccncc5)cc(c1)c2c34,Cc1ccccc1,340.0
11522,Cc1cccc(C)c1-c1cc2c(C)c3c4ccc5nc6c(ccc7c8c(C)c9cc(-c%10c(C)cccc%10C)c(-c%10c(C)cccc%10C)cc9c(C)c8c76)nc5c4c3c(C)c2cc1-c1c(C)cccc1C,ClC(Cl)Cl,501.0
2576,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(Br)cc1,ClCCl,493.0
14771,[NH2+]=c1ccc2c(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c3ccc(N4CCCCC4)cc3oc-2c1,O,535.0
5647,CCCCn1c(-c2ccc(-c3nnc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5CCCC)cc4)o3)cc2)nc2c3ccccc3c3ccccc3c21,ClCCl,366.0
793,CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6ccc(N(c7ccc(C(C)(C)CC(C)(C)C)cc7)c7ccc(C(C)(C)CC(C)(C)C)cc7)c7cccc(c2c45)c76)C(=O)OC3=O)cc1,ClCCl,599.0
794,CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6ccc(N(c7ccccc7)c7ccccc7)c7cccc(c2c45)c76)C(=O)OC3=O)cc1,ClCCl,540.0
787,CC(C)(C)CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccc3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7cccc2c73)c64)C(=O)OC5=O)cc1,ClCCl,605.0
8971,COc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc(-c3ccccc3)n2)cc1,ClC(Cl)Cl,365.0
7303,CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccccc3)n2)cc1,ClC(Cl)Cl,376.0
7167,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(C#N)cc4)n3)ccc21,C1CCOC1,367.0
7167,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(C#N)cc4)n3)ccc21,CCOC(C)=O,363.0
7167,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(C#N)cc4)n3)ccc21,CN(C)C=O,370.0
7167,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(C#N)cc4)n3)ccc21,Cc1ccccc1,366.0
7167,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(C#N)cc4)n3)ccc21,ClCCl,365.0
7168,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(OC)cc4)n3)ccc21,C1CCOC1,365.0
7168,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(OC)cc4)n3)ccc21,CCOC(C)=O,362.0
7168,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(OC)cc4)n3)ccc21,CN(C)C=O,369.0
7168,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(OC)cc4)n3)ccc21,Cc1ccccc1,363.0
7168,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccc(OC)cc4)n3)ccc21,ClCCl,364.0
7169,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccccc4)n3)ccc21,C1CCOC1,364.0
7169,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccccc4)n3)ccc21,CCOC(C)=O,360.0
7169,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccccc4)n3)ccc21,CN(C)C=O,367.0
7169,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccccc4)n3)ccc21,Cc1ccccc1,363.0
7169,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(-c4ccccc4)n3)ccc21,ClCCl,363.0
10499,Cc1cc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
4592,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc([C@@]34CSC(c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)c6nsnc56)=C3OCCO4)cc2)cc1,Clc1ccccc1,511.0
13538,O=C(O)C1=CC=C(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)CC1,CC#N,417.0
8876,COc1cc2cc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)cc2cc1OC,ClC(Cl)Cl,336.0
8876,COc1cc2cc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)cc2cc1OC,ClCCl,337.0
15120,c1ccc(-c2nc3sc4ccccc4c3s2)nc1,CS(C)=O,354.0
6984,CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,O,504.0
6984,CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,OCC(O)CO,520.0
6984,CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,C1CCOC1,520.0
6984,CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,CC#N,507.0
6984,CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,CS(C)=O,506.0
6984,CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,Cc1ccccc1,536.0
5039,CCCCCCn1c2cc(/C=C(\C#N)C(=O)O)sc2c2sc(-c3ccc(N(c4ccc(-n5c6ccsc6c6sccc65)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)cc21,ClCCl,510.0
1618,CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCCCO)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C,O,558.0
13158,N#Cc1ccc(N)c2nonc12,C1COCCO1,418.0
7898,CN(CCOC(=O)CI)c1ccc([N+](=O)[O-])c2nonc12,CO,472.0
13158,N#Cc1ccc(N)c2nonc12,CC#N,421.0
13158,N#Cc1ccc(N)c2nonc12,CCCCCC,397.0
13158,N#Cc1ccc(N)c2nonc12,CCO,430.0
13158,N#Cc1ccc(N)c2nonc12,Cc1ccccc1,409.0
13158,N#Cc1ccc(N)c2nonc12,ClCCl,407.0
7796,CN(CCN(C)c1ccc([N+](=O)[O-])c2nonc12)C(=O)CI,CO,478.0
7794,CN(CCCCCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,CO,467.0
5826,CCCNc1ccc([N+](=O)[O-])c2nonc12,CCO,486.0
13158,N#Cc1ccc(N)c2nonc12,O,430.0
12459,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)s1)C(=O)O,ClCCl,454.0
1242,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,458.0
12277,N#C/C(=C/c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)s1)C(=O)O,C1CCOC1,411.0
12690,N#CC(=Cc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)s1)C(=O)O,C1CCOC1,411.0
2302,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6cccc7ccccc67)ccc4-5)s3)cc21,C1CCOC1,423.0
13611,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)cc2)SC1=S,CCO,471.0
2377,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2ccccc2-1,C1CCOC1,356.0
2377,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2ccccc2-1,CC#N,353.0
2377,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2ccccc2-1,CC(C)=O,354.0
2377,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2ccccc2-1,CCCCCC,356.0
2377,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2ccccc2-1,Cc1ccccc1,360.0
5431,CCCCNc1nn(-c2ccc(OC)cc2)nc1C#N,CC#N,328.0
2207,CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,O,345.0
2207,CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,C1COCCO1,350.0
2207,CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CC#N,351.0
2207,CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CCO,342.0
2207,CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CS(C)=O,355.0
2207,CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,Cc1ccccc1,352.0
2207,CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,ClC(Cl)Cl,352.0
14966,c1ccc(-c2cc3cc4cccc5c(-c6ccccc6)cc6cc7cccc2c7c3c6c45)cc1,ClCCl,439.0
11527,Cc1cccc(C)c1C1=C2C=CC(=[N+](C)C)C=C2S(=O)(=O)c2cc(N(C)C)ccc21,O,704.0
9973,COc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2S(=O)(=O)c2cc(N(C)C)ccc21,O,707.0
9922,COc1cccc(OC)c1C1=C2C=CC(=[N+](C)C)C=C2S(=O)(=O)c2cc(N(C)C)ccc21,O,710.0
11589,Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2S(=O)(=O)c2cc(N(C)C)ccc21,O,703.0
7705,CN(C)c1ccc2c(c1)S(=O)(=O)C1=CC(=[N+](C)C)C=CC1=C2c1ccccc1,O,703.0
11618,Cc1cccn2c1cc1c3ccccc3nc(-c3cccs3)c12,CS(C)=O,398.0
11754,Clc1ccc(-c2nc3ccccc3c3cc4ccccn4c23)s1,CS(C)=O,407.0
15561,c1csc(-c2nc3ccccc3c3cc4ccccn4c23)c1,CS(C)=O,403.0
14024,O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc2cc3ccccc3cc2c1,ClC(Cl)Cl,380.0
2932,CCCCCCC1(CCCCCC)c2ccsc2-c2sc(-c3cc4c(s3)-c3sc(/C=C(/C#N)C(=O)O)cc3C4(CCCCCC)CCCCCC)cc21,ClCCl,546.0
10725,Cc1cc(C)c(C2=C3C=C(C(OC(=O)c4ccccc4)C(=O)NC(C)(C)C)C=[N+]3[B-](F)(F)n3cccc32)c(C)c1,CCOC(C)=O,505.5
802,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)C1=CC2=C(c3ccc(Br)cc3)c3cccn3[B-](F)(F)[N+]2=C1,CCOC(C)=O,507.0
803,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)C1=CC2=C(c3ccc(C(F)(F)F)cc3)c3cccn3[B-](F)(F)[N+]2=C1,CCOC(C)=O,509.5
804,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)C1=CC2=C(c3ccccc3)c3cccn3[B-](F)(F)[N+]2=C1,CCOC(C)=O,505.0
12444,N#C/C(=C\c1ccc(-c2ccc(C#Cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)s4)c4ccccc34)s2)s1)C(=O)O,CCO,485.0
1853,CC1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21,Cc1ccccc1,374.9508841
216,C(=C/c1cc[n+]2ccc(/C=C/c3cc[nH]c3)cc2c1)\c1cc[nH]c1,CO,457.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CCCCCC,678.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CCO,492.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CN(C)C=O,549.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CO,483.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,Cc1ccccc1,689.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,ClC(Cl)Cl,658.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,ClCCl,642.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,OCC(F)(F)F,464.0
5309,CCCCN1C(=O)C(=C/C=C/C=C/C=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CC#N,540.0
3293,CCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)c1sc(-c3ccc4c(c3)c3ccccc3n4CCCCCCCCCC)cc1c1cc(C=C(C#N)C(=O)O)sc12,C1CCOC1,483.0
2644,CCCCC(CC)COc1cc2c(cc1OCC(CC)CCCC)c1sc(-c3ccc4c(c3)c3ccccc3n4CCCC)cc1c1cc(C=C(C#N)C(=O)O)sc12,C1CCOC1,491.0
3332,CCCCCCCCCN(N=Cc1ccc(N(c2ccccc2)c2ccc(C=NN(CCCCCCCCC)c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)cc2)cc1)c1ccccc1,ClC(Cl)Cl,496.0
14229,O=S(=O)([O-])c1ccccc1-c1c2ccc(=[N+]3CC4CCC(CC4)C3)cc-2oc2cc(N3CC4CCC(CC4)C3)ccc12,CO,548.0
12471,N#C/C(=C\c1ccc(-c2ccc(N(c3cccc(-c4cccs4)c3)c3cccc(-c4cccs4)c3)cc2)cc1)C(=O)O,ClC(Cl)Cl,425.0
15390,c1ccc2c(c1)-c1sc3ccccc3c1C21c2ccccc2-c2sc3ccccc3c21,ClCCl,340.0
10417,Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc3c(cc21)C1c2ccccc2C3c2ccccc21,Cc1ccccc1,364.0
10425,Cc1cc(-n2c3ccccc3c3cc4c(cc32)C2c3ccccc3C4c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1,Cc1ccccc1,345.0
10426,Cc1cc(-n2c3ccccc3c3cc4c(cc32)C2c3ccccc3C4c3ccccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1,Cc1ccccc1,367.0
10279,Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc(-n2c3ccccc3c3cc4c(cc32)C2c3ccccc3C4c3ccccc32)c1C,Cc1ccccc1,344.0
15076,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4c5ccccc5C6c5ccccc54)cc3)n2)cc1,Cc1ccccc1,373.0
15249,c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)oc5cc4o3)cc2)cc1,ClCCl,358.0
7319,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)s2)cc1,C1CCCCC1,368.0
7319,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)s2)cc1,C1CCOC1,350.0
7319,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)s2)cc1,CN(C)C=O,384.0
7319,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)s2)cc1,CS(C)=O,379.0
7319,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)s2)cc1,Cc1ccccc1,377.0
7319,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)s2)cc1,ClC(Cl)Cl,377.0
12993,N#Cc1c(N2CCCCC2)cc(-c2ccc(-c3ccccc3)s2)c2c1CCc1ccccc1-2,C1CCOC1,345.0
4526,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=Cc4cc(CCCCCC)c(C=C(C#N)C(=O)O)s4)o3)cc2)cc1,ClCCl,516.0
15504,c1ccc2cc3cc4c(cc3cc2c1)-c1cccc2cccc-4c12,CCCCCCC,439.0
3764,CCCCCCCCc1ccc(N(/C2=C3\C=CC(=N3)/C(c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)=C2/C=CC(=N2)/C=4C#Cc2ccc(C(=O)O)cc2)c2ccc(CCCCCCCC)cc2)cc1,C1CCOC1,666.0
10814,Cc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c(=O)o1,CC#N,357.0
10814,Cc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c(=O)o1,ClCCl,360.0
10815,Cc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)c(=O)o1,CC#N,349.0
10815,Cc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)c(=O)o1,ClCCl,350.0
10816,Cc1cc(O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(=O)o1,CC#N,463.0
10816,Cc1cc(O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(=O)o1,ClCCl,469.0
10817,Cc1cc(O)c(C(=O)/C=C/c2ccc(O)c(O)c2)c(=O)o1,CC#N,390.0
10817,Cc1cc(O)c(C(=O)/C=C/c2ccc(O)c(O)c2)c(=O)o1,ClCCl,387.0
10818,Cc1cc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1,CC#N,358.0
10818,Cc1cc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1,ClCCl,361.0
10819,Cc1cc(O)c(C(=O)/C=C/c2cccc(O)c2)c(=O)o1,CC#N,367.0
10819,Cc1cc(O)c(C(=O)/C=C/c2cccc(O)c2)c(=O)o1,ClCCl,374.0
10820,Cc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)o1,CC#N,356.0
10820,Cc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)o1,ClCCl,358.0
10821,Cc1cc(O)c(C(=O)/C=C/c2ccccc2Cl)c(=O)o1,CC#N,353.0
10821,Cc1cc(O)c(C(=O)/C=C/c2ccccc2Cl)c(=O)o1,ClCCl,355.0
10822,Cc1cc(O)c(C(=O)/C=C/c2ccccc2O)c(=O)o1,CC#N,359.0
10822,Cc1cc(O)c(C(=O)/C=C/c2ccccc2O)c(=O)o1,ClCCl,360.0
9235,COc1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1,CC#N,380.0
9235,COc1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1,ClCCl,384.0
10823,Cc1cc(O)c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(=O)o1,CC#N,352.0
10823,Cc1cc(O)c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(=O)o1,ClCCl,365.0
9895,COc1cccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)c1,CC#N,373.0
9895,COc1cccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)c1,ClCCl,377.0
5970,CCN(CC)c1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1,CC#N,476.0
5970,CCN(CC)c1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1,CCCO,468.0
5970,CCN(CC)c1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1,CCO,488.0
5970,CCN(CC)c1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1,CCOC(C)=O,472.0
5970,CCN(CC)c1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1,Cc1ccccc1,471.0
5970,CCN(CC)c1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1,ClCCl,480.0
360,C(\c1ccccc1)=c1\o/c(=C\c2ccc(N3CCCC3)cc2)c2ccccc12,ClCCl,414.0
5013,CCCCCCn1c(=O)c2c3oc4ccccc4sc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O,ClCCl,437.0
234,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2)c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2)cc1)\c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1,C1CCOC1,411.0
234,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2)c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2)cc1)\c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1,Cc1ccccc1,410.0
2717,CCCCC(CC)Cn1c2cc(/C=C(\C#N)C(=O)O)sc2c2sc3c4cc(/C=C(/C#N)C(=O)O)sc4n(CC(CC)CCCC)c3c21,C1CCOC1,555.0
15441,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc3cc4oc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4cc3o2)cc1,ClCCl,372.0
1274,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCCCCN1c2ccccc2Sc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)ccc21,C1CCOC1,460.0
2735,CCCCC(CC)Cn1c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(CC)CCCC)cc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,ClCCl,465.0
4025,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2S(=O)(=O)c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc21,C1CCOC1,416.0
4022,CCCCCCN1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2S(=O)(=O)c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc21,C1CCOC1,416.6666666666667
4580,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3=C4C(=O)N(C[C@@H](CC)CCCC)C(c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)=C4C(=O)N3C[C@H](CC)CCCC)s2)cc1,C1CCOC1,640.0
5505,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(-c3ccc(-c4ccc5c(c4)C4(OCCO4)C4(OCCO4)c4cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc4-5)s3)cc2)cc1,ClC(Cl)Cl,420.0
5505,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(-c3ccc(-c4ccc5c(c4)C4(OCCO4)C4(OCCO4)c4cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc4-5)s3)cc2)cc1,ClCCl,420.0
2285,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)n4C)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,462.0
5225,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(/C=C/c4nc5ccc(/C=C/c6ccc(N(CCCC)CCCC)cc6)cc5n(CCC)c4=O)c(=O)n(CCC)c3c2)cc1,C1COCCO1,528.0
5225,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(/C=C/c4nc5ccc(/C=C/c6ccc(N(CCCC)CCCC)cc6)cc5n(CCC)c4=O)c(=O)n(CCC)c3c2)cc1,ClCCl,549.0
9323,COc1ccc(C#Cc2c3cc4cc(C)sc4cc3c(C#Cc3ccc(OC)cc3)c3cc4cc(C)sc4cc23)cc1,ClCCl,573.0
14665,Oc1ccc2ccccc2c1-c1nc2c(c3c1-c1ccccc1CC3)-c1ccccc1CC2,ClCCl,346.0
6208,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CC(C)=O,504.0
6208,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CCOC(C)=O,504.0
6208,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CN(C)C=O,532.0
6208,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CS(C)=O,542.0
6208,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,Cc1ccccc1,508.0
6208,CCN(CC)c1ccc2cc(/C(Cl)=C/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,ClCCl,526.0
6840,CCOC(=O)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,277.0
742,CC(=O)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,358.0
13234,N#Cc1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,364.0
15019,c1ccc(-c2cnn(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,C1CCOC1,348.0
3387,CCCCCCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cn3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cn1,C1CCOC1,588.0
3388,CCCCCCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cn3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cn1,C1CCOC1,579.0
2580,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cn3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cn1,C1CCOC1,580.0
2581,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cn3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cn1,C1CCOC1,564.0
11531,Cc1cccc(C)c1Nc1ccc(/C=C/c2ccc3ccccc3c2)cc1,CCCCCC,350.0
247,C(=C/c1ccc2ccccc2c1)\c1ccc(Nc2ccccc2)cc1,CC#N,361.0
247,C(=C/c1ccc2ccccc2c1)\c1ccc(Nc2ccccc2)cc1,CCCCCC,355.0
11531,Cc1cccc(C)c1Nc1ccc(/C=C/c2ccc3ccccc3c2)cc1,CC#N,356.0
3445,CCCCCCCCN1c2ccccc2Oc2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,518.0
3445,CCCCCCCCN1c2ccccc2Oc2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,CCO,510.0
3938,CCCCCCN(c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccc(/C=C(\C#N)c2ccc(C=C3C(=O)NC(=O)NC3=O)s2)cc1,ClC(Cl)Cl,479.0
2925,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(/C3=c4\cc/c5n4[Zn]n4c(ccc4/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4/C=CC3=N4)/C(C#Cc3ccc(C(=O)O)cc3)=C3/C=CC(=N3)/C=5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21,CC#N,439.0
3492,CCCCCCCCOc1cc(OCCCCCCCC)cc(/C2=C3\C=CC(=N3)/C(N(c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(OCCCCCCCC)cc(OCCCCCCCC)c2)c1,CC#N,443.0
13824,O=C(c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1)c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1,Cc1ccccc1,370.0
4863,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2CCCCCC)s1,ClC(Cl)Cl,472.0
12930,N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O,C1CCOC1,404.0
12930,N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O,CC#N,397.0
12930,N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O,CCOC(C)=O,401.0
12930,N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O,CN(C)C=O,407.0
12930,N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O,CO,390.0
12930,N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O,CS(C)=O,414.0
12930,N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O,ClC(Cl)Cl,397.0
4298,CCCCCCOc1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(C5=C6C(C)=CC(C)=[N+]6[B-](F)(F)n6c(C)cc(C)c65)cc4)cc32)c(OCCCCCC)c1,ClCCl,502.0
4202,CCCCCCOc1cc(C=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)c(OCCCCCC)cc1C=C1C(=C(C#N)C#N)c2ccccc2C1=C(C#N)C#N,ClCCl,542.0
5743,CCCCn1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2c2cc(C=C3C(=O)NC(=O)NC3=O)ccc21,C1CCOC1,477.0
5084,CCCCCCn1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2c2cc(C=C3C(=O)NC(=O)NC3=O)ccc21,C1CCOC1,455.0
8710,COc1cc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc(Cl)n1,CS(C)=O,432.0
7202,CCn1c2ccccc2c2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(OC)cc21,CC#N,494.0
5120,CCCCCCn1c2ccccc2c2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc21,CC#N,438.0
12410,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(C4=CC=CCC4)c4ccccc4)cc3)s2)s1)C(=O)O,C1CCOC1,473.0
4257,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4)cc3)c3ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)cc3)cc2)cc1,CC#N,455.0
8523,COCCOCCOCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCOCCOCCOC)cc4)cc3)c3ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)cc3)cc2)cc1,CC#N,455.0
4260,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)cc3)cc2)c(OCCCCCC)c1,ClCCl,518.0
7133,CCn1c2ccc(-c3ccc(-c4ccncc4)s3)cc2c2cc(-c3ccc(-c4ccc(N(c5ccc(-c6cccs6)cc5)c5ccc(-c6cccs6)cc5)cc4)s3)ccc21,ClC(Cl)Cl,372.0
8997,COc1ccc(-c2cc3c(ccc4sc(/C=C/c5cccs5)cc43)s2)cc1,ClCCl,376.0
14041,O=C1c2ccc3c4c(-c5ccccc5)cc5c6c(ccc(c7c(-c8ccccc8)cc(c2c37)C(=O)N1C1CCCCC1)c64)C(=O)N(C1CCCCC1)C5=O,ClC(Cl)Cl,556.0
8925,COc1ccc(-c2c3cc(C(C)=O)ccc3nn2C)o1,CC#N,372.0
8925,COc1ccc(-c2c3cc(C(C)=O)ccc3nn2C)o1,ClCCl,375.0
8926,COc1ccc(-c2c3cc(N(C)C)ccc3nn2C)o1,CC#N,367.0
8926,COc1ccc(-c2c3cc(N(C)C)ccc3nn2C)o1,ClCCl,370.0
9859,COc1ccc2nn(C)c(-c3ccc(C(C)=O)o3)c2c1,CC#N,363.0
9859,COc1ccc2nn(C)c(-c3ccc(C(C)=O)o3)c2c1,ClCCl,368.0
9860,COc1ccc2nn(C)c(-c3ccc(C)o3)c2c1,CC#N,340.0
9860,COc1ccc2nn(C)c(-c3ccc(C)o3)c2c1,ClCCl,343.0
9862,COc1ccc2nn(C)c(-c3ccc(C=O)o3)c2c1,CC#N,371.0
676,CC(=O)c1ccc(-c2c3cc(N(C)C)ccc3nn2C)o1,CC#N,401.0
676,CC(=O)c1ccc(-c2c3cc(N(C)C)ccc3nn2C)o1,ClCCl,407.0
9862,COc1ccc2nn(C)c(-c3ccc(C=O)o3)c2c1,ClCCl,377.0
9864,COc1ccc2nn(C)c(-c3ccc(OC)o3)c2c1,ClCCl,348.0
678,CC(=O)c1ccc(-c2c3ccccc3nn2C)o1,CC#N,355.0
678,CC(=O)c1ccc(-c2c3ccccc3nn2C)o1,ClCCl,359.0
9864,COc1ccc2nn(C)c(-c3ccc(OC)o3)c2c1,CC#N,346.0
10895,Cc1ccc(-c2c3cc(C=O)ccc3nn2C)o1,CC#N,368.0
10895,Cc1ccc(-c2c3cc(C=O)ccc3nn2C)o1,ClCCl,369.0
10896,Cc1ccc(-c2c3cc(N(C)C)ccc3nn2C)o1,CC#N,367.0
10896,Cc1ccc(-c2c3cc(N(C)C)ccc3nn2C)o1,ClCCl,368.0
10906,Cc1ccc(-c2c3ccccc3nn2C)o1,CC#N,335.0
10906,Cc1ccc(-c2c3ccccc3nn2C)o1,ClCCl,338.0
8954,COc1ccc(-c2c3ccccc3nn2C)o1,CC#N,341.0
8954,COc1ccc(-c2c3ccccc3nn2C)o1,ClCCl,344.0
708,CC(=O)c1ccc2nn(C)c(-c3ccc(C(C)=O)o3)c2c1,CC#N,368.0
708,CC(=O)c1ccc2nn(C)c(-c3ccc(C(C)=O)o3)c2c1,ClCCl,371.0
709,CC(=O)c1ccc2nn(C)c(-c3ccc(C)o3)c2c1,CC#N,362.0
709,CC(=O)c1ccc2nn(C)c(-c3ccc(C)o3)c2c1,ClCCl,365.0
6783,CCOC(=O)c1ccc(-c2c3cc(C(C)=O)ccc3nn2C)o1,CC#N,364.0
6783,CCOC(=O)c1ccc(-c2c3cc(C(C)=O)ccc3nn2C)o1,ClCCl,365.0
711,CC(=O)c1ccc2nn(C)c(-c3ccc(C=O)o3)c2c1,ClCCl,376.0
711,CC(=O)c1ccc2nn(C)c(-c3ccc(C=O)o3)c2c1,CC#N,372.0
6786,CCOC(=O)c1ccc(-c2c3ccccc3nn2C)o1,CC#N,345.0
6786,CCOC(=O)c1ccc(-c2c3ccccc3nn2C)o1,ClCCl,348.0
7754,CN(C)c1ccc2nn(C)c(-c3ccc(C=C(C#N)C#N)o3)c2c1,ClCCl,531.0
6784,CCOC(=O)c1ccc(-c2c3cc(N(C)C)ccc3nn2C)o1,CC#N,389.0
6784,CCOC(=O)c1ccc(-c2c3cc(N(C)C)ccc3nn2C)o1,ClCCl,394.0
6785,CCOC(=O)c1ccc(-c2c3cc(OC)ccc3nn2C)o1,CC#N,352.0
6785,CCOC(=O)c1ccc(-c2c3cc(OC)ccc3nn2C)o1,ClCCl,356.0
7756,CN(C)c1ccc2nn(C)c(-c3ccc(C=O)o3)c2c1,CC#N,411.0
7756,CN(C)c1ccc2nn(C)c(-c3ccc(C=O)o3)c2c1,ClCCl,420.0
11926,Cn1nc2ccc(C=O)cc2c1-c1ccc(CO)o1,CC#N,362.0
11926,Cn1nc2ccc(C=O)cc2c1-c1ccc(CO)o1,ClCCl,364.0
11928,Cn1nc2ccc([N+](=O)[O-])cc2c1-c1ccc(C=O)o1,CC#N,394.0
11928,Cn1nc2ccc([N+](=O)[O-])cc2c1-c1ccc(C=O)o1,ClCCl,394.0
11933,Cn1nc2ccccc2c1-c1ccc(C=C(C#N)C#N)o1,CC#N,450.0
11933,Cn1nc2ccccc2c1-c1ccc(C=C(C#N)C#N)o1,ClCCl,462.0
11934,Cn1nc2ccccc2c1-c1ccc(C=O)o1,CC#N,364.0
11934,Cn1nc2ccccc2c1-c1ccc(C=O)o1,ClCCl,367.0
15091,c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c43)n2)cc1,C1CCOC1,332.6807229
961,CC(C)(C)c1cc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(c1)[n+]2c34,ClCCl,438.0
7870,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1,CS(C)=O,429.0
7887,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1,CS(C)=O,430.0
11098,Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)o1,CS(C)=O,431.0
13221,N#Cc1nc2c(OCc3ccccc3)nc(N)nc2n1Cc1ccccc1,C1COCCO1,313.0
13221,N#Cc1nc2c(OCc3ccccc3)nc(N)nc2n1Cc1ccccc1,CC#N,313.0
13221,N#Cc1nc2c(OCc3ccccc3)nc(N)nc2n1Cc1ccccc1,CO,318.0
13221,N#Cc1nc2c(OCc3ccccc3)nc(N)nc2n1Cc1ccccc1,ClCCl,311.0
8455,COC(=O)c1nc2c(OCc3ccccc3)nc(N)nc2n1Cc1ccccc1,C1COCCO1,313.0
8455,COC(=O)c1nc2c(OCc3ccccc3)nc(N)nc2n1Cc1ccccc1,CC#N,316.0
8455,COC(=O)c1nc2c(OCc3ccccc3)nc(N)nc2n1Cc1ccccc1,CO,321.0
8455,COC(=O)c1nc2c(OCc3ccccc3)nc(N)nc2n1Cc1ccccc1,ClCCl,315.0
13650,O=C(O)CN1C(=O)C(=Cc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)SC1=S,CCO,455.0
1556,CC1(C)C(=CC2=C([O-])C(=O)C2=C(C#N)C#N)N(CCC(=O)O)c2ccc3ccccc3c21,CCO,467.0
6491,CCNc1ccc2c(c1)C(C)(C)C(=O)C=C2,O,402.0
6119,CCN(CC)c1ccc2c(c1)C(C)(C)C(=O)C=C2,O,429.0
7682,CN(C)c1ccc2c(c1)C(C)(C)C(=O)C=C2,O,413.0
1599,CC1(C)C(=O)C=Cc2ccc(N)cc21,O,377.0
1601,CC1(C)C(=O)C=Cc2ccc(O)cc21,O,341.0
10646,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(/C=C/c3sc(/C=C/c5sc(/C=C(\C#N)C(=O)O)c6c5OCCO6)c5c3OCCO5)cc2)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,595.0
6352,CCN1C(=O)/C(=c2\c(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(CO)cc3)sc(=O)n2CC(=O)O)SC1=S,CS(C)=O,542.0
6353,CCN1C(=O)/C(=c2\c(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(CO)cc3)sc(=O)n2CCC(=O)O)SC1=S,CS(C)=O,541.0
6354,CCN1C(=O)/C(=c2\c(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(CO)cc3)sc(=O)n2CCCC(=O)O)SC1=S,CS(C)=O,542.0
975,CC(C)(C)c1cc2c3c(c1)c1cc(C(C)(C)C)cc4c1n3B1c3c-2cccc3-c2cc(C(C)(C)C)cc3c5cc(C(C)(C)C)cc-4c5n1c23,C1CCOC1,439.0
975,CC(C)(C)c1cc2c3c(c1)c1cc(C(C)(C)C)cc4c1n3B1c3c-2cccc3-c2cc(C(C)(C)C)cc3c5cc(C(C)(C)C)cc-4c5n1c23,ClCCl,439.0
715,CC(=O)c1ccn2c3c(c(-c4cc[n+](C)cc4)c2c1)CN(C)C3=O,O,429.0
382,C1#Cc2ccccc2OCc2cccc(c2)COc2ccccc21,ClCCl,309.0
3664,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc(N(c3ccc(-c4ccc(CCCCCC)s4)cc3)c3ccc(-c4ccc(CCCCCC)s4)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)o1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClCCl,443.0
4288,CCCCCCOc1ccc(-c2nc3c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4nc(-c5ccc(OCCCCCC)cc5)c(-c5ccc(OCCCCCC)cc5)nc4c(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)c3nc2-c2ccc(OCCCCCC)cc2)cc1,ClCCl,565.0
7509,CN(C)c1ccc(C#Cc2ccc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc(C#Cc7ccc(N(C)C)cc7)cc6)n5[B-]4(F)F)C(c4ccccc4)=C3)cc2)cc1,Cc1ccccc1,745.0
2825,CCCCCC(CCCCC)N1C(=O)c2c(Oc3c(-c4ccccc4)cccc3-c3ccccc3)cc3c4cc(Oc5c(-c6ccccc6)cccc5-c5ccccc5)c5c6c(c(Oc7c(-c8ccccc8)cccc7-c7ccccc7)cc(c7cc(Oc8c(-c9ccccc9)cccc8-c8ccccc8)c(c2c37)C1=O)c64)C(=O)N(C(CCCCC)CCCCC)C5=O,Cc1ccccc1,535.0
2200,CC1CCCC(CC(=O)OCCN(C)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2)(CC(=O)OCCN(C)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)C1,C1CCOC1,487.0
2201,CC1CCCC(CC(=O)OCCN(C)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2)(CC(=O)OCCN(C)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2)C1,C1CCOC1,487.0
3481,CCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(/C=C/c4cc[n+](Cc5ccc(C)cc5)cc4)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1/C=C/c1cc[n+](Cc2ccc(C)cc2)cc1,ClCCl,535.0
13989,O=C1O/C(=C2/C(=O)Oc3ccccc32)C(O)=C1c1ccccc1,ClC(Cl)Cl,388.0
2858,CCCCCCC(CCCC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1cc2c3nonc3c3cc(-c4sc(-c5ccc6c(c5)Sc5ccccc5N6CC)cc4CC(CCCC)CCCCCC)sc3c2s1,C1CCOC1,463.0
4667,CCCCCC[C@H](CCCC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1cc2c3nonc3c3cc(-c4sc(-c5ccc6c(c5)Sc5ccccc5N6CC)cc4C[C@H](CCCC)CCCCCC)sc3c2s1,C1CCOC1,464.0
4446,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5c(s4)/C(=C/c4ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s4)c4ccccc4-5)s3)cc2)cc1,C1CCOC1,530.0
452,C1=Cc2ccc3ccccc3c2N(c2ccccc2)B1c1ccccc1,C1CCCCC1,364.0
12550,N#C/C(=C\c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,CO,403.0
12550,N#C/C(=C\c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,Cc1ccccc1,411.0
12550,N#C/C(=C\c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,ClCCl,409.0
12550,N#C/C(=C\c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,C1CCOC1,410.0
12550,N#C/C(=C\c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,CC#N,400.0
3257,CCCCCCCCCCCCc1ccc2c(c1)c1cc(CCCCCCCCCCCC)ccc1c1nc3c(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)ncc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)c3nc21,ClCCl,593.0
3399,CCCCCCCCN1C(=O)S/C(=c2/c(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)sc(=O)n2CC(=O)O)C1=O,ClC(Cl)Cl,521.0
13582,O=C(O)CCCc1cc(C#Cc2ccccc2)c2ccc3c(C#Cc4ccccc4)cc(C#Cc4ccccc4)c4ccc1c2c34,CS(C)=O,451.0
10631,Cc1cc(C#Cc2ccccc2)c2ccc3c(C#Cc4ccccc4)cc(C#Cc4ccccc4)c4ccc1c2c43,CS(C)=O,451.0
10631,Cc1cc(C#Cc2ccccc2)c2ccc3c(C#Cc4ccccc4)cc(C#Cc4ccccc4)c4ccc1c2c43,ClC(Cl)(Cl)Cl,445.0
13582,O=C(O)CCCc1cc(C#Cc2ccccc2)c2ccc3c(C#Cc4ccccc4)cc(C#Cc4ccccc4)c4ccc1c2c34,ClC(Cl)(Cl)Cl,445.0
466,C1=Cc2nc1c(-c1ccco1)c1ccc([nH]1)c(-c1ccco1)c1nc(c(-c3ccco3)c3ccc(s3)c2-c2ccco2)C=C1,ClCCl,448.0
10266,C[n+]1ccn(CCCCc2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(C#N)cc2-n2c3ccccc3c3cc(CCCCn4cc[n+](C)c4)ccc32)c1,CC#N,368.9349112
2671,CCCCC(CC)COc1ccc2nc(-c3ccc(-c4ccc(N(C)C)cc4)s3)sc2c1,ClCCl,402.0
2672,CCCCC(CC)COc1ccc2nc(-c3ccc(-c4ccc(OC)cc4)s3)sc2c1,ClCCl,365.0
2673,CCCCC(CC)COc1ccc2nc(-c3ccc(-c4ccccc4)s3)sc2c1,ClCCl,368.0
919,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3ncccn3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,656.0
3584,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(C=c5sc(=C(C#N)C#N)[nH]c5=O)s4)c4nsnc34)cc2)cc1,ClCCl,539.0
3568,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3c(OCCCCCCCC)c(OCCCCCCCC)c(-c4ccc(/C=c5/sc(=C(C#N)C#N)[nH]c5=O)s4)c4nsnc34)cc2)cc1,ClCCl,492.0
11237,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)cc2)cc1,C1CCOC1,393.0
12434,N#C/C(=C\c1ccc(-c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)s2)s1)C(=O)O,C1CCOC1,393.0
126,C(#Cc1ccc(C#Cc2ccc(C#Cc3ccccc3)cc2)cc1)c1ccccc1,ClC(Cl)Cl,345.0
7505,CN(C)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,C1CCOC1,422.0
7505,CN(C)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,CC#N,413.0
7505,CN(C)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,CN(C)C=O,426.0
7505,CN(C)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,ClC(Cl)Cl,425.0
7505,CN(C)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,c1ccccc1,426.0
13136,N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,C1CCOC1,356.0
13136,N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,CC#N,352.0
9341,COc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,C1CCOC1,369.0
9341,COc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,CC#N,364.0
9341,COc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,CN(C)C=O,369.0
9341,COc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,ClC(Cl)Cl,371.0
9341,COc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,c1ccccc1,371.0
10053,CSc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,ClC(Cl)Cl,375.0
11080,Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,ClC(Cl)Cl,360.0
13136,N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,CN(C)C=O,357.0
13136,N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,ClC(Cl)Cl,357.0
13136,N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,c1ccccc1,358.0
11332,Cc1ccc(N2c3ccc(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5c4OCCO5)cc3C3CCCC32)cc1,C1CCOC1,518.0
11333,Cc1ccc(N2c3ccc(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5c4OCCO5)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,518.0
14203,O=P1(c2ccccc2)c2cccc3ccc4ccc1n4c23,ClCCl,412.0
2273,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5ccccc5)n4[B-](F)(F)[n+]4nnn(c43)[B-](F)(F)[N+]2=C1c1ccccc1,C1CCOC1,691.0
2273,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5ccccc5)n4[B-](F)(F)[n+]4nnn(c43)[B-](F)(F)[N+]2=C1c1ccccc1,CC#N,687.0
2273,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5ccccc5)n4[B-](F)(F)[n+]4nnn(c43)[B-](F)(F)[N+]2=C1c1ccccc1,ClCCl,700.0
1429,CC(C)[Si](C#Cc1c2nc3ccccc3nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,CCCCCC,681.0
6002,CCN(CC)c1ccc(/N=N\c2ccc3c4c(cccc24)C(=O)N(c2ccc(S(=O)(=O)Nc4ncccn4)cc2)C3=O)c(C)c1,CN(C)C=O,555.0
5154,CCCCCCn1nc2c(-c3ccc(C=C(C#N)C(=O)O)[se]3)ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)[se]3)c2n1,C1CCOC1,478.0
825,CC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)c2c1c1c3ccccc3c3ccccc3c1c1c3ccccc3c3ccccc3c21,ClCCl,388.0
9743,COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2c(C(=O)NC(C)(C)C)ccc(C(=O)NC(C)(C)C)c2c2c3ccc(OC)cc3c3cc(OC)ccc3c21,ClCCl,414.0
824,CC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)c2c1c1c3ccc(Cl)cc3c3cc(Cl)ccc3c1c1c3ccc(Cl)cc3c3cc(Cl)ccc3c21,ClCCl,395.0
11674,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(N(C)C)cc2)[n+]3C)s1,CO,534.0
11674,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(N(C)C)cc2)[n+]3C)s1,ClC(Cl)Cl,557.0
11675,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(N(CCO)CCO)cc2)[n+]3C)s1,CO,532.0
11675,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(N(CCO)CCO)cc2)[n+]3C)s1,ClC(Cl)Cl,552.0
8497,COCCN(CCOC)c1ccc(/C=C/c2sc3c4nc(C)sc4ccc3[n+]2C)cc1,CO,533.0
8497,COCCN(CCOC)c1ccc(/C=C/c2sc3c4nc(C)sc4ccc3[n+]2C)cc1,ClC(Cl)Cl,555.0
4487,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)c5ccc(-c6ccc(C(=O)O)cc6)s5)s4)c4nsnc34)cc2)cc1,ClCCl,529.0
13622,O=C(O)CN1C(=O)/C(=C\c2cc(-c3cccs3)c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cccs2)SC1=S,ClCCl,464.0
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,C1CCCCC1,326.0089978
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,C1CCOC1,364.0467436
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,C1COCCO1,365.6841951
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,CC#N,381.4464449
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,CCOC(C)=O,364.0069889
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,CN(C)C=O,376.7045883
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,CO,386.6228494
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,CS(C)=O,368.7859566
13239,N#Cc1nnn(-c2ccnc3cc(Cl)ccc23)c1N,ClC(Cl)Cl,385.000385
2994,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClCCl,431.0
2317,CCC1(CC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc21,ClC(Cl)Cl,457.0
1340,CC(C)CCCC(C)CCOc1cc(C#Cc2c3ccccc3c(C#Cc3ccc(C#Cc4ccc(C#Cc5cccc(C(=O)O)c5)cc4C#N)cc3)c3ccccc23)c(OCCC(C)CCCC(C)C)cc1C#Cc1ccc(C#Cc2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,506.0
5779,CCCN(/N=C/c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1,ClC(Cl)Cl,505.0
3592,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(/C=c4\sc(=C(C#N)C#N)[nH]c4=O)s3)cc2)cc1,ClCCl,519.0
3595,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(C=c4sc(=C(C#N)C#N)[nH]c4=O)s3)cc2)cc1,ClCCl,519.0
11829,Cn1c(=O)/c(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s/c1=C(/C#N)C(=O)O,ClCCl,496.0
12875,N#CC(C#N)=c1[nH]c(=O)/c(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1,CCO,471.0
11830,Cn1c(=O)/c(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s/c1=C(\C#N)C(=O)O,ClCCl,496.0
906,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3c4ccccc4c(C#Cc4ccc(C(=O)O)cc4)c4cc5ccccc5cc34)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,430.0
13027,N#Cc1cc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)c2)ccc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,428.0
238,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1,ClCCl,398.0
13040,N#Cc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C#N,ClCCl,386.0
11851,Cn1c(=O)cc(C(=O)c2ccccc2)c2sc(-c3ccc(OC(F)(F)F)cc3)cc21,CC#N,394.0
11851,Cn1c(=O)cc(C(=O)c2ccccc2)c2sc(-c3ccc(OC(F)(F)F)cc3)cc21,ClCCl,400.0
11849,Cn1c(=O)cc(C(=O)c2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)cc21,CC#N,388.0
11849,Cn1c(=O)cc(C(=O)c2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)cc21,ClCCl,398.0
14489,O=c1c2ccccc2nc2ccccn12,ClCCl,354.0
4229,CCCCCCOc1ccc(-c2c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc6)s5)s4)cc3c(-c3ccc(OCCCCCC)cc3)c3ccc(C=C(C#N)C(=O)O)cc23)cc1,ClCCl,499.0
5324,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)s3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,ClCCl,627.0
5526,CCCCSC1=C(SCCCC)SC(=Cc2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)cc2)S1,C1CCOC1,438.0
3678,CCCCCCCCSC1=C(SCCCCCCCC)SC(=Cc2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)cc2)S1,C1CCOC1,429.0
2397,CCC12C(=C3C(=C4c5ccc(-c6ccc(C(C)=O)s6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C(C)=O)s3)cc1S2(=O)=O,C1COCCO1,485.0
2398,CCC12C(=C3C(=C4c5ccc(-c6ccc(C)s6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C)s3)cc1S2(=O)=O,C1COCCO1,506.0
2398,CCC12C(=C3C(=C4c5ccc(-c6ccc(C)s6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C)s3)cc1S2(=O)=O,CC#N,507.0
2398,CCC12C(=C3C(=C4c5ccc(-c6ccc(C)s6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C)s3)cc1S2(=O)=O,CCCCCC,489.0
2398,CCC12C(=C3C(=C4c5ccc(-c6ccc(C)s6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C)s3)cc1S2(=O)=O,CCO,508.0
2398,CCC12C(=C3C(=C4c5ccc(-c6ccc(C)s6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C)s3)cc1S2(=O)=O,CS(C)=O,525.3687316
2398,CCC12C(=C3C(=C4c5ccc(-c6ccc(C)s6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C)s3)cc1S2(=O)=O,ClC(Cl)(Cl)Cl,497.3451327
2398,CCC12C(=C3C(=C4c5ccc(-c6ccc(C)s6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(C)s3)cc1S2(=O)=O,ClCCl,507.6696165
14585,OCc1cc(/N=N/c2ccc(-c3c4ccccc4cc4ccccc34)cc2F)ccc1O,CS(C)=O,405.0
14589,OCc1cc(/N=N\c2ccc(-c3c4ccccc4cc4ccccc34)cc2F)ccc1O,CS(C)=O,324.0
12379,N#C/C(=C\c1ccc(-c2cc3cc(-c4ccc(N5c6ccccc6C6C7CCC(C7)C65)cc4)sc3s2)s1)C(=O)O,ClCCl,511.0
13626,O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(B(O)O)s6)s5)s4)c4nsnc34)o2)SC1=S,C1CCOC1,444.0
13626,O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(B(O)O)s6)s5)s4)c4nsnc34)o2)SC1=S,CCO,444.0
4866,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4oc5ccccc5c4c3)cc2CCCCCC)s1,ClC(Cl)Cl,476.0
9758,COc1ccc2c(c1)oc1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,CS(C)=O,363.0
9758,COc1ccc2c(c1)oc1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,Cc1ccccc1,358.0
9758,COc1ccc2c(c1)oc1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,ClCCl,361.0
9758,COc1ccc2c(c1)oc1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,CC#N,359.0
788,CC(C)(C)CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccc3c4c(Sc5ccccc5)cc5c6c(cc(Sc7ccccc7)c(c7cccc2c73)c64)C(=O)OC5=O)cc1,ClCCl,620.0
11943,FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccccc3)C=C3c4cc(-c5ccccc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccccc7)cc(c4c56)=C4C=C(c5ccccc5)C(=N1)C2C34,C1CCOC1,500.0
13147,N#Cc1ccc(C2=CC3=c4cc(-c5ccc(C#N)cc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc(C#N)cc7)cc(c4c65)C4=CC(c5ccc(C#N)cc5)=C5N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C2C5C43)cc1,C1CCOC1,492.0
6792,CCOC(=O)c1ccc(C2=CC3=c4cc(-c5ccc(C(=O)OCC)cc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc(C(=O)OCC)cc7)cc(c4c65)C4=CC(c5ccc(C(=O)OCC)cc5)=C5N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C2C5C43)cc1,C1CCOC1,497.0
11983,FC(F)(F)c1ccc(C2=CC3=c4cc(-c5ccc(C(F)(F)F)cc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc(C(F)(F)F)cc7)cc(c4c65)C4=CC(c5ccc(C(F)(F)F)cc5)=C5N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C2C5C43)cc1,C1CCOC1,489.0
9717,COc1ccc2c(c1)SC1=Nc3sc4cc(OC)ccc4[n+]3CN12,CO,405.0
5528,CCCCSC1=C(SCCCC)SC(=Cc2ccc(/C=C(\C#N)C(=O)O)s2)S1,C1CCOC1,448.0
1934,CC1=C(C)SC(=Cc2sc(C=C(C#N)C(=O)O)cc2CO[Si](C)(C)C(C)(C)C)S1,ClCCl,568.0
12889,N#CC1=C(c2ccc(-c3cccs3)s2)CCC1,C1CCOC1,364.0
12889,N#CC1=C(c2ccc(-c3cccs3)s2)CCC1,CC#N,362.0
12889,N#CC1=C(c2ccc(-c3cccs3)s2)CCC1,CCCCCC,360.0
386,C1=C(c2ccc(-c3cccs3)s2)CCC1,C1CCOC1,345.0
386,C1=C(c2ccc(-c3cccs3)s2)CCC1,CC#N,342.0
386,C1=C(c2ccc(-c3cccs3)s2)CCC1,CCCCCC,341.0
386,C1=C(c2ccc(-c3cccs3)s2)CCC1,CCO,344.5
386,C1=C(c2ccc(-c3cccs3)s2)CCC1,OCCOCCO,347.0
386,C1=C(c2ccc(-c3cccs3)s2)CCC1,c1ccncc1,348.0
12889,N#CC1=C(c2ccc(-c3cccs3)s2)CCC1,CCO,366.0
12889,N#CC1=C(c2ccc(-c3cccs3)s2)CCC1,OCCOCCO,367.0
12889,N#CC1=C(c2ccc(-c3cccs3)s2)CCC1,c1ccncc1,368.0
14096,O=CC1=C(c2ccc(-c3cccs3)s2)CCC1,C1CCOC1,377.0
14096,O=CC1=C(c2ccc(-c3cccs3)s2)CCC1,CC#N,374.0
14096,O=CC1=C(c2ccc(-c3cccs3)s2)CCC1,CCCCCC,366.0
14096,O=CC1=C(c2ccc(-c3cccs3)s2)CCC1,CCO,386.0
14096,O=CC1=C(c2ccc(-c3cccs3)s2)CCC1,OCCOCCO,377.0
14096,O=CC1=C(c2ccc(-c3cccs3)s2)CCC1,c1ccncc1,385.0
7645,CN(C)c1ccc2c(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
13355,Nc1ccc2c(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
2611,CCCCC(CC)CN1c2ccc(-c3ccc4c5nc6ccccc6nc5n(CC(CC)CCCC)c4c3)cc2Sc2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc21,ClCCl,484.0
15074,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)n2)cc1,Cc1ccccc1,366.0
1232,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=Cc2ccc(C=C(C#N)C(=O)O)s2)cc1,CC#N,429.0
1213,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(/C=C/c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,CC#N,429.0
9339,COc1ccc(C#Cc2ccc(-c3nn[nH]n3)cc2)cc1OC,C1CCOC1,324.0
9339,COc1ccc(C#Cc2ccc(-c3nn[nH]n3)cc2)cc1OC,C1COCCO1,321.0
9339,COc1ccc(C#Cc2ccc(-c3nn[nH]n3)cc2)cc1OC,CC#N,315.0
9339,COc1ccc(C#Cc2ccc(-c3nn[nH]n3)cc2)cc1OC,CCOC(C)=O,321.0
9339,COc1ccc(C#Cc2ccc(-c3nn[nH]n3)cc2)cc1OC,CS(C)=O,318.0
9339,COc1ccc(C#Cc2ccc(-c3nn[nH]n3)cc2)cc1OC,Cc1ccccc1,323.0
6413,CCN1O/C(=c2\c(=Cc3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)sc(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,549.0
6477,CCNc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
13345,Nc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,490.0
14769,[NH2+]=c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(O)cc3oc-2c1,O,500.0
7634,CN(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
6277,CCN(CCCN(C)C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
5250,CCCCN(CCCC)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
12445,N#C/C(=C\c1ccc(-c2ccc(C#Cc3ccc(N4c5ccccc5C=Cc5ccccc54)cc3)c3nsnc23)cc1)C(=O)O,ClCCl,455.0
13344,Nc1ccc2c(-c3cc4ccccc4c4ccccc34)c3ccc(=[NH2+])cc-3sc2c1,O,530.0
4886,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1C=Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,535.0
12521,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,CO,497.0
11254,Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,CN(C)C=O,437.0
12521,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClCCl,490.0
12769,N#CC(=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,C1CCOC1,476.0
12546,N#C/C(=C\c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,CC#N,463.0
12769,N#CC(=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,CCO,441.0
12769,N#CC(=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClCCl,490.0
12757,N#CC(=Cc1ccc(C(C#N)=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,C1CCOC1,478.0
12757,N#CC(=Cc1ccc(C(C#N)=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,Cc1ccccc1,505.0
4353,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\CC#N)C(=O)O)s3)cc2)c2ccc(OCCCCCC)cc2)cc1,CCO,530.0
4353,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\CC#N)C(=O)O)s3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,530.0
4354,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\CC#N)C(=O)S)s3)cc2)c2ccc(OCCCCCC)cc2)cc1,CCO,556.0
4354,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\CC#N)C(=O)S)s3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,556.0
4355,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\CC#N)C(=S)S)s3)cc2)c2ccc(OCCCCCC)cc2)cc1,CCO,550.0
4355,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\CC#N)C(=S)S)s3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,550.0
10797,Cc1cc(C=C(C#N)C(=O)O)sc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,517.0
14528,O=c1oc2c(ccc3cc(O)ccc32)nc1-c1ccccc1,c1ccccc1,406.0
14529,O=c1oc2c(ccc3ccccc32)nc1-c1ccccc1,CC#N,396.0
14529,O=c1oc2c(ccc3ccccc32)nc1-c1ccccc1,CCCCCC,398.0
14529,O=c1oc2c(ccc3ccccc32)nc1-c1ccccc1,CO,396.0
14529,O=c1oc2c(ccc3ccccc32)nc1-c1ccccc1,c1ccccc1,396.0
4176,CCCCCCOc1c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4CCCCCC)cc2c(OCCCCCC)c2ccc(/C=C(\C#N)C(=O)O)cc12,C1CCOC1,494.0
4181,CCCCCCOc1c2ccccc2c(OCCCCCC)c2cc(N(c3ccccc3)c3ccc4c(c3)Sc3cc(/C=C(/C#N)C(=O)O)ccc3N4CCCCCC)ccc12,C1CCOC1,422.0
4182,CCCCCCOc1c2ccccc2c(OCCCCCC)c2cc(N(c3ccccc3)c3ccc4c(c3)Sc3cc(/C=C(\C#N)C(=O)O)ccc3N4CCCCCC)ccc12,C1CCOC1,440.0
14791,[NH3+]c1cc([NH3+])cc(-c2[nH+]c3ccccc3s2)c1,O,328.0
2436,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,C1CCOC1,530.0
2436,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,527.0
2436,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,535.0
2436,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,534.0
2436,CCC1=C(C)C2=C(c3cc(C(=O)Cl)cc(C4=C5C(C)=C(CC)C(C)=[N+]5[B-](F)(F)n5c(C)c(CC)c(C)c54)c3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClC(Cl)Cl,534.0
15237,c1ccc(Cc2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,ClCCl,566.0
3982,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6cccc7ccccc67)nn5-c5ccccc5)s4)ccc(c23)C1=O,ClCCl,389.0
1439,CC(C)[Si](C#Cc1ccc(-c2c3cccc4c5cccc6c(-c7ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc7)c7cccc8c9cccc2c9c(c34)c(c65)c78)cc1)(C(C)C)C(C)C,Cc1ccccc1,727.0
892,CC(C)(C)c1cc(-c2c3cccc4c5cccc6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7cccc8c9cccc2c9c(c34)c(c65)c78)cc(C(C)(C)C)c1,Cc1ccccc1,687.0
11960,FC(F)(F)c1ccc(-c2c3cccc4c5cccc6c(-c7ccc(C(F)(F)F)cc7)c7cccc8c9cccc2c9c(c34)c(c65)c78)cc1,Cc1ccccc1,683.0
7463,CN(C)c1ccc(/C=C/c2ncc3ccccc3n2)cc1,CC#N,413.0
7463,CN(C)c1ccc(/C=C/c2ncc3ccccc3n2)cc1,ClCCl,395.0
3833,CCCCCCCCn1c2ccccc2c2c(-c3ccc(OCC)cc3)c3c(c(-c4ccc(OCC)cc4)c21)c1cc(-c2ccc(/C=C(\C#N)C(=O)O)s2)ccc1n3CCCCCCCC,ClCCl,505.0
3502,CCCCCCCCOc1ccc(-c2c3c4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc4n(CCCCCCCC)c3c(-c3ccc(OCCCCCCCC)cc3)c3c4ccccc4n(CCCCCCCC)c23)cc1,ClCCl,485.0
3830,CCCCCCCCn1c2ccccc2c2c(-c3ccc(CC)cc3)c3c(c(-c4ccc(CC)cc4)c21)c1cc(-c2ccc(/C=C(\C#N)C(=O)O)s2)ccc1n3CCCCCCCC,ClCCl,476.0
3831,CCCCCCCCn1c2ccccc2c2c(-c3ccc(N(CC)CC)cc3)c3c(c(-c4ccc(N(CC)CC)cc4)c21)c1cc(-c2ccc(/C=C(\C#N)C(=O)O)s2)ccc1n3CCCCCCCC,ClCCl,500.0
13021,N#Cc1c2nc3ccccn3c2nc2c1nc1ccccn12,C1CCCCC1,410.0
13021,N#Cc1c2nc3ccccn3c2nc2c1nc1ccccn12,C1COCCO1,425.0
13021,N#Cc1c2nc3ccccn3c2nc2c1nc1ccccn12,CC#N,430.0
13021,N#Cc1c2nc3ccccn3c2nc2c1nc1ccccn12,CN(C)C=O,435.0
13021,N#Cc1c2nc3ccccn3c2nc2c1nc1ccccn12,ClC(Cl)Cl,425.0
12435,N#C/C(=C\c1ccc(-c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3-4)s2)s1)C(=O)O,C1CCOC1,376.0
6173,CCN(CC)c1ccc2c(ccc3c(-c4ccc(N)c(N)c4)c4ccc5cc(N(CC)CC)ccc5c4[o+]c32)c1,O,666.0
13399,Nc1ccc2c(ccc3c(-c4ccc(N)c(N)c4)c4ccc5cc(N)ccc5c4[o+]c32)c1,O,600.0
4605,CCCCCCOc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Sc3cc(-c4ccc(-c5cccs5)s4)ccc32)cc1,ClCCl,493.0
1502,CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(=O)n5c(c=4c4ccc(c2c34)C1=O)=c1c2c3ccc4c6c(ccc(c=2c(=O)n1C5)c63)C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O,Cc1ccccc1,688.0
5243,CCCCN(CCCC)c1ccc(-c2c([O-])[c+](-c3ccc(N(C)CCOC(=O)CCC(=O)Oc4ccc5c(=C(C#N)C#N)c6cc(O)ccc6c(=C(C#N)C#N)c5c4)cc3)[c+]2[O-])cc1,ClC(Cl)Cl,633.0
12043,F[B-]1(F)OC(c2ccccc2)=Cc2cc3[n+](c[n+]21)[B-](F)(F)OC(c1ccccc1)=C3,ClCCl,475.0
9475,COc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)c5c(n4[B-]3(F)F)-c3ccc(OC)cc3CC5)C(c3ccccc3)=C2)cc1,ClC(Cl)Cl,708.0
14718,Oc1nc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2)nc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2)n1,CN(C)C=O,448.0
1961,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,ClCCl,533.0
1961,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,CO,526.0
1961,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,Cc1ccccc1,535.0
10229,C[Si]1(C)c2cc(-c3ccc(-c4cccs4)s3)ccc2C=Cc2ccc(-c3ccc(-c4cccs4)s3)cc21,ClCCl,458.0
1353,CC(C)CCOc1cc(-c2cc(OCCC(C)C)c(/C=C/c3cc(OCCC(C)C)c(/C=C/c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3OCCC(C)C)cc2OCCC(C)C)c(OCCC(C)C)cc1C=C(C#N)C(=O)O,C1CCOC1,472.0
14170,O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3n2-c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)cc1,ClCCl,314.0
9397,COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)c3c2ccc2ccccc32)cc1,C1CCCCC1,336.0
6084,CCN(CC)c1ccc2c(-c3ccccc3C(=O)[O-])c3c([o+]c2c1)-c1ccc(N)cc1CC3,O,574.0
8814,COc1cc2c(=O)c(CCc3ccccc3)coc2cc1O,O,346.0
14441,O=c1c(CCc2ccccc2)coc2cc(O)ccc12,O,332.0
4826,CCCCCCc1cc(-c2sc(-c3sc(-c4ccc5c[n+](CC(=O)O)ccc5c4)cc3CCCCCC)cc2CCCCCC)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClC(Cl)Cl,493.0
12631,N#CC(=CC1COc2c(COCCCCCCCCOCc3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OCC(C=C(C#N)C(=O)O)O4)sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2O1)C(=O)O,ClC(Cl)Cl,501.0
12334,N#C/C(=C\[C@@H]1COc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc(COCCCCCCCCOCc3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3O[C@H](/C=C(\C#N)C(=O)O)CO4)c2O1)C(=O)O,ClC(Cl)Cl,488.0
12335,N#C/C(=C\[C@@H]1COc2c(COCCCCCCCCOCc3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OC[C@@H](/C=C(\C#N)C(=O)O)O4)sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2O1)C(=O)O,ClC(Cl)Cl,501.0
12630,N#CC(=CC1COc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc(COCCCCCCCCOCc3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OC(C=C(C#N)C(=O)O)CO4)c2O1)C(=O)O,ClC(Cl)Cl,488.0
27,Brc1ccc(-c2nc(-c3ccc(C#Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccc(C#Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1,ClCCl,357.0
5245,CCCCN(CCCC)c1ccc2c#cc3cc4c#cc5ccc(C(F)(F)F)cc5c#cc#cc5cc(C(F)(F)F)ccc5c#cc4cc3c#cc3ccc(N(CCCC)CCCC)cc3c#cc#cc2c1,ClCCl,450.0
5246,CCCCN(CCCC)c1ccc2c#cc3cc4c#cc5ccc(C(F)(F)F)cc5c#cc#cc5cc(N(CCCC)CCCC)ccc5c#cc4cc3c#cc3ccc(C(F)(F)F)cc3c#cc#cc2c1,ClCCl,472.0
5247,CCCCN(CCCC)c1ccc2c#cc3cc4c#cc5ccc(N(CCCC)CCCC)cc5c#cc#cc5cc(C(F)(F)F)ccc5c#cc4cc3c#cc3ccc(C(F)(F)F)cc3c#cc#cc2c1,ClCCl,454.0
2359,CCC1(CC)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3cccc4ccccc34)cc21,ClCCl,441.0
2903,CCCCCCC1(CCCCCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N6c7ccccc7Sc7ccccc76)ccc4-5)n3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,C1CCOC1,400.0
15422,c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,C1CCCCC1,413.0
15422,c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,C1CCOC1,416.0
15422,c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,CN(C)C=O,418.0
15422,c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,Cc1ccccc1,416.0
15422,c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,ClCCl,417.0
1179,CC(C)(C)c1ccc2c(c1)Sc1cc(C(C)(C)C)ccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccc(C(C)(C)C)cc7Sc7cc(C(C)(C)C)ccc76)ccc5c4nc32)c1,C1CCCCC1,451.0
1179,CC(C)(C)c1ccc2c(c1)Sc1cc(C(C)(C)C)ccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccc(C(C)(C)C)cc7Sc7cc(C(C)(C)C)ccc76)ccc5c4nc32)c1,C1CCOC1,452.0
1179,CC(C)(C)c1ccc2c(c1)Sc1cc(C(C)(C)C)ccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccc(C(C)(C)C)cc7Sc7cc(C(C)(C)C)ccc76)ccc5c4nc32)c1,Cc1ccccc1,451.0
9464,COc1ccc(C2=[N+]3C(=C(c4ccc(C(=O)OCc5ccccc5)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,Cc1ccccc1,604.0
9464,COc1ccc(C2=[N+]3C(=C(c4ccc(C(=O)OCc5ccccc5)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,C1CCOC1,594.0
9464,COc1ccc(C2=[N+]3C(=C(c4ccc(C(=O)OCc5ccccc5)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,CC#N,583.0
7776,CN(C)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,C1CCOC1,469.0
7776,CN(C)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CC#N,478.0
7776,CN(C)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CCCCCC,436.0
7776,CN(C)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CS(C)=O,494.0
7776,CN(C)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,Cc1ccccc1,464.0
7776,CN(C)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,ClCCl,479.0
10981,Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,C1CCOC1,476.0
10981,Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,CC#N,483.0
10981,Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,CCCCCC,443.0
10981,Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,CS(C)=O,500.0
10981,Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,Cc1ccccc1,471.0
10981,Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,ClCCl,485.0
6266,CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CCCCCC,446.0
6266,CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CS(C)=O,500.0
6266,CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,Cc1ccccc1,471.0
6266,CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,ClCCl,488.0
6266,CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,C1CCOC1,476.0
6266,CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CC#N,484.0
6267,CCN(CC)c1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,C1CCOC1,482.0
6267,CCN(CC)c1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CC#N,487.0
6267,CCN(CC)c1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CCCCCC,452.0
6267,CCN(CC)c1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CS(C)=O,504.0
6267,CCN(CC)c1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,Cc1ccccc1,477.0
6267,CCN(CC)c1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,ClCCl,494.0
6269,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])s2)s1,C1CCOC1,479.0
6269,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])s2)s1,CC#N,487.0
6269,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])s2)s1,CCCCCC,446.0
6269,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])s2)s1,CS(C)=O,503.0
6269,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])s2)s1,Cc1ccccc1,474.0
6269,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])s2)s1,ClCCl,492.0
9551,COc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(OC)cc2)cc1,Cc1ccccc1,376.0
15385,c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2sc3c(c21)C1(c2ccccc2-c2ccccc21)c1ccccc1-3,C1CCOC1,373.0
2595,CCCCC(CC)CN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(OC)cc5)cc5c6c(cc(Oc7ccc(OC)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O,Cc1ccccc1,581.0
2598,CCCCC(CC)CN1C(=O)c2cc(Oc3ccc(OC)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(OC)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O,Cc1ccccc1,581.0
4337,CCCCCCOc1ccc(N(c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)ccc2-3)cc1,C1CCOC1,494.0
4335,CCCCCCOc1ccc(N(c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)cc2)c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)s5)cc4)ccc2-3)cc1,C1CCOC1,494.0
15070,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc3)n2)cc1,Cc1ccccc1,370.0
14809,[O-][n+]1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,370.0
6317,CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2cc(C(=O)O)ccc21,CCO,651.0
12688,N#CC(=Cc1ccc(-c2ccc(C(C#N)=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1)C(=O)O,ClC(Cl)Cl,453.0
15146,c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6cccc4c56)cc3)nc3ccccc32)cc1,ClC(Cl)Cl,325.0
4278,CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=C(\C#N)C(=O)O)sc2N3CCCCCC)cc1,ClCCl,554.0
1008,CC(C)(C)c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc(C(C)(C)C)cc5)c(C(=O)N5CCOCC5)s4)s3)sc2C(=O)N2CCOCC2)cc1,ClCCl,377.0
7044,CCc1c(-c2ccccc2)c2[o+]c(-c3ccccc3)c(CC)c3ccc4cccc1c4c32,ClCCl,465.0
10922,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc(s4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2s5)C=C4)C=C3)cc1,ClCCl,435.0
11521,Cc1cccc(C)c1-c1cc2c(C)c3c4cc5nc6ccc7c8c(C)c9cc(-c%10c(C)cccc%10C)c(-c%10c(C)cccc%10C)cc9c(C)c8c7c6nc5cc4c3c(C)c2cc1-c1c(C)cccc1C,ClC(Cl)Cl,487.0
7946,CN1B(c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-c2cc3ccccc3cc21,C1CCCCC1,369.0
2924,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(C#Cc3ccc(N(c4ccc(C#Cc5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)cc4)c4ccc(C=C(C#N)C(=O)O)cc4)cc3)cc21,ClCCl,428.0
4543,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ncc(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)cc4CCCCCC)c4nsnc34)cc2)cc1,ClCCl,540.0
11401,Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(N(C)C)cc3)sc2/C=C/c2ccccc2)cc1,CC#N,415.0
3341,CCCCCCCCCn1c(-c2cc(-c3nc4ccccc4n3CCCCCCCCC)cc(-c3nc4ccccc4n3CCCCCCCCC)c2)nc2ccccc21,ClCCl,300.0
3107,CCCCCCCCCCCCCCn1c(-c2cc(-c3nc4ccc(C)cc4n3CCCCCCCCCCCCCC)cc(-c3nc4ccc(C)cc4n3CCCCCCCCCCCCCC)c2)nc2ccc(C)cc21,ClCCl,306.5
3108,CCCCCCCCCCCCCCn1c(-c2cc(-c3nc4ccccc4n3CCCCCCCCCCCCCC)cc(-c3nc4ccccc4n3CCCCCCCCCCCCCC)c2)nc2ccccc21,ClCCl,298.0
15337,c1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1,CS(C)=O,316.0
3324,CCCCCCCCCCn1c(-c2cc(-c3nc4ccc(C)cc4n3CCCCCCCCCC)cc(-c3nc4ccc(C)cc4n3CCCCCCCCCC)c2)nc2ccc(C)cc21,ClCCl,307.5
3325,CCCCCCCCCCn1c(-c2cc(-c3nc4ccccc4n3CCCCCCCCCC)cc(-c3nc4ccccc4n3CCCCCCCCCC)c2)nc2ccccc21,ClCCl,299.5
11480,Cc1ccc2nc(-c3cc(-c4nc5ccc(C)cc5[nH]4)cc(-c4nc5ccc(C)cc5[nH]4)c3)[nH]c2c1,CS(C)=O,322.8
108,C#Cn1c(-c2cc(-c3nc4ccc(C)cc4n3C#C)cc(-c3nc4ccc(C)cc4n3C#C)c2)nc2ccc(C)cc21,ClCCl,306.5
109,C#Cn1c(-c2cc(-c3nc4ccccc4n3C#C)cc(-c3nc4ccccc4n3C#C)c2)nc2ccccc21,ClCCl,305.5
3260,CCCCCCCCCCCCn1c(-c2cc(-c3nc4ccc(C)cc4n3CCCCCCCCCCCC)cc(-c3nc4ccc(C)cc4n3CCCCCCCCCCCC)c2)nc2ccc(C)cc21,ClCCl,306.5
3261,CCCCCCCCCCCCn1c(-c2cc(-c3nc4ccccc4n3CCCCCCCCCCCC)cc(-c3nc4ccccc4n3CCCCCCCCCCCC)c2)nc2ccccc21,ClCCl,299.5
5896,CCCn1c(-c2cc(-c3nc4ccccc4n3CCC)cc(-c3nc4ccccc4n3CCC)c2)nc2ccccc21,CS(C)=O,301.5
3100,CCCCCCCCCCCCCCCCn1c(-c2cc(-c3nc4ccc(C)cc4n3CCCCCCCCCCCCCCCC)cc(-c3nc4ccc(C)cc4n3CCCCCCCCCCCCCCCC)c2)nc2ccc(C)cc21,ClCCl,306.0
3101,CCCCCCCCCCCCCCCCn1c(-c2cc(-c3nc4ccccc4n3CCCCCCCCCCCCCCCC)cc(-c3nc4ccccc4n3CCCCCCCCCCCCCCCC)c2)nc2ccccc21,ClCCl,301.0
3340,CCCCCCCCCn1c(-c2cc(-c3nc4ccc(C)cc4n3CCCCCCCCC)cc(-c3nc4ccc(C)cc4n3CCCCCCCCC)c2)nc2ccc(C)cc21,ClCCl,307.5
5091,CCCCCCn1c2ccccc2c2c(-c3ccccc3)c3c(c(-c4ccccc4)c21)c1cc(-c2ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s2)ccc1n3CCCCCC,C1CCOC1,453.0
2513,CCCC1(CCC)c2cc(C=C(C#Cc3ccccc3)C#Cc3ccccc3)ccc2-c2ccc(C=C(C#Cc3ccccc3)C#Cc3ccccc3)cc21,ClC(Cl)Cl,422.0
14862,c1cc2c3c(cccc3c1)C(N1CCOCCOCCOCCOCC1)=N2,CC#N,427.0
10599,Cc1cc(/C=C/c2csc3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,565.0
5285,CCCCN(CCCC)c1ccc2nc3c4ccccc4c(=O)c(-c4ccccc4)c-3oc2c1,ClCCl,549.0
1029,CC(C)(C)c1ccc(-c2ccc(N(c3ccc(/C=C/c4sc(/C=C(/C#N)C(=O)O)c5c4OCCO5)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1,CCO,467.0
1355,CC(C)CCOc1cc(/C=C/c2cc(OCCC(C)C)c(/C=C/c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2OCCC(C)C)c(OCCC(C)C)cc1C=C(C#N)C(=O)O,C1CCOC1,466.0
1302,CC(C)(C)c1ccc2oc3nc4oc5ccc(N6c7ccccc7Sc7ccccc76)cc5c4cc3c2c1,ClC(Cl)Cl,348.0
12414,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccc(C#Cc5ccccc5)cc4)c4ccc(C#Cc5ccccc5)cc4)cc3)s2)s1)C(=O)O,C1CCOC1,445.0
13491,O=C(CSCCCCCC(=O)ON1C(=O)C=CC1=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,O,491.0
2605,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,C1CCCCC1,444.0
2605,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,C1CCOC1,447.0
2605,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,CC#N,454.0
2605,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,Cc1ccccc1,446.0
2605,CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,ClC(Cl)Cl,453.0
14799,[O-][n+]1c(-c2ccc(Br)cc2)cc(N2CCOCC2)nc1/C=C/c1ccccc1,ClCCl,445.0
14800,[O-][n+]1c(-c2ccccc2)cc(N2CCOCC2)nc1/C=C/c1ccccc1,ClCCl,445.0
11595,Cc1ccccc1C1=C2C=CC(=[N+]3CCCC3)C=C2P(=O)(c2ccccc2)c2cc(N3CCCC3)ccc21,O,708.0
14196,O=P1(c2ccccc2)C2=CC(=[N+]3CCCC3)C=CC2=C(c2ccccc2C(F)(F)F)c2ccc(N3CCCC3)cc21,O,718.0
1928,CC1=C(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C)n1[B-]2(F)F,C1CCOC1,593.0
15328,c1ccc([B-]2(c3ccccc3)Oc3ccc4ccccc4c3-c3c4ccccc4cc[n+]32)cc1,Cc1ccccc1,427.0
449,C1=Cc2ccc3c4c2N(CCN4B(c2ccccc2)C(/C=C/c2ccccc2)=C3)B1c1ccccc1,ClCCl,369.0
1453,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,391.0
1453,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC#N,381.0
1453,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCO,385.0
1453,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCOCC,383.0
1453,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CS(C)=O,387.0
1453,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,388.0
1453,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,c1ccccc1,389.0
1455,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,484.0
1455,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC#N,461.0
1455,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCO,467.0
1455,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCOCC,467.0
1455,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CS(C)=O,466.0
1455,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,481.0
1455,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,c1ccccc1,477.0
1457,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,403.0
1457,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC#N,392.0
1457,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCO,396.0
1457,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCOCC,393.0
1457,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CS(C)=O,398.0
1457,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,401.0
1457,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,c1ccccc1,398.0
10483,Cc1cc(/C=C/c2cc3ccccc3nc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
5671,CCCCn1c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,498.0
5672,CCCCn1c2cc(-c3ccc(-c4ccc(-c5ccc(C=O)s5)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,441.0
2575,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)o4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1,ClCCl,526.0
10710,Cc1cc(C)c(B2c3cc(C(C)(C)C)ccc3-c3c(-c4ccccc4)ccc4cc(C(C)(C)C)cc2c34)c(C)c1,C1CCCCC1,406.0
422,C1=CB2C=Cc3ccccc3N2C=C1,C1CCCCC1,310.0
9,BrC1=CC=CN2B1C=Cc1ccccc12,C1CCCCC1,300.0
4856,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2ccc(-c3sc(-c4cc5sc6ccsc6c5s4)cc3CCCCCC)s2)s1,C1CCOC1,440.0
4683,CCCCCCc1c(-c2ccc(/C=C(\C#N)C(=O)O)s2)sc(-c2ccc(-c3ccc(-c4cc5sc6ccsc6c5s4)s3)s2)c1CCCCCC,C1CCOC1,440.0
1910,CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,C1CCOC1,466.0
5579,CCCCc1c(-c2ccc(/C=C(/C#N)C(=O)O)s2)sc(-c2cc3sc4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)sc4c3s2)c1CCCC,ClC(Cl)Cl,465.0
4297,CCCCCCOc1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4cc5c(s4)c4sc(CCCCCC)cc4n5CCCCCC)cc32)cc1,ClCCl,502.0
3906,CCCCCCCn1c2cc(/C=C(\C#N)C(=O)O)sc2c2sc(-c3cc4c(s3)c3sc(CCCCCC)cc3n4-c3ccc(OCCCCCC)cc3)cc21,ClCCl,512.0
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,C1CCCCC1,290.0
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,C1CCOC1,293.3
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,C1COCCO1,292.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CC#N,291.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CC(C)(C)O,294.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CC(C)O,294.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CCC(C)(C)O,294.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CCCCCC,289.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CCCCO,295.0
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CCO,294.0
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CCOC(C)=O,291.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CCOCC,291.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CN(C)C=O,293.5
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CO,294.0
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,CS(C)=O,295.0
10367,Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,Cc1ccccc1,293.0
6706,CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,Cc1ccccc1,431.0
6706,CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,ClCCl,431.0
6706,CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,CO,431.0
189,C(=C(c1nnn[nH]1)c1nnn[nH]1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCO,370.0
7496,CN(C)c1ccc(C#Cc2cc3c(cc2C#Cc2ccc(N(C)C)cc2)/C2=C(\c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc5n4[Zn]n4/c(cc/c4=C(\c4cc(C(C)(C)C)cc(C(C)(C)C)c4)C4=N/C(=C\5c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5cc(/C=C/C(=O)O)c(/C=C/C(=O)O)cc54)=C(/c4cc(C(C)(C)C)cc(C(C)(C)C)c4)C3=N2)cc1,C1CCOC1,480.0
901,CC(C)(C)c1cc(/C2=C3/N=C(/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=c4/cc/c5n4[Zn]n4c2ccc4/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2\N=C(/C=5c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(/C=C/C(=O)O)c(/C=C/C(=O)O)cc42)c2cc(C#Cc4ccccc4)c(C#Cc4ccccc4)cc23)cc(C(C)(C)C)c1,C1CCOC1,475.0
5440,CCCCOC(=O)/C=C/c1nc2c(N(C)C)nc(N(C)C)nc2n1C,ClCCl,417.0
5441,CCCCOC(=O)/C=C/c1nc2c(N(C)C)nc(N(C)C)nc2n1CCCC,ClCCl,417.0
13460,Nc1ncc2nc[nH]c2n1,O,290.0
2527,CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7ccccc7-8)ccc5-6)ccc3-4)cc21,C1CCCCC1,360.0
2503,CCCC1(CCC)c2cc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(C(C)(C)CC)ccc5-6)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(C(C)(C)CC)ccc3-4)cc21,C1CCCCC1,362.0
11520,Cc1cccc(C)c1-c1cc2c(C)c3c4cc5nc6cc7c(cc6nc5cc4c3c(C)c2cc1-c1c(C)cccc1C)c1c(C)c2cc(-c3c(C)cccc3C)c(-c3c(C)cccc3C)cc2c(C)c71,ClC(Cl)Cl,503.0
13599,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)OCCO6)c5ccc6c(c5)OCCO6)cc4)s3)s2)SC1=S,ClCCl,526.0
252,C(=C/c1cccc2ccccc12)\c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(/C=C/c4cccc5ccccc45)cc3)ccc3ccccc23)cc1,ClCCl,334.0
9571,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)cc1,C1CCOC1,432.0
11223,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)cc1,C1CCOC1,430.0
12427,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1)C(=O)O,C1CCOC1,416.5
9578,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3)cc2)cc1,C1CCOC1,432.0
12664,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1)C(=O)O,C1CCOC1,417.0
11231,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3)cc2)cc1,C1CCOC1,430.0
6656,CCOC(=O)c1c(-c2cc3cc4c(cc3oc2=O)OC(C)(C)CC4)nn(-c2cccc(C)c2)c1C(=O)OCC,ClCCl,347.0
6657,CCOC(=O)c1c(-c2cc3cc4c(cc3oc2=O)OC(C)(C)CC4)nn(-c2cccc(Cl)c2)c1C(=O)OCC,ClCCl,349.0
6658,CCOC(=O)c1c(-c2cc3cc4c(cc3oc2=O)OC(C)(C)CC4)nn(-c2ccccc2)c1C(=O)OCC,ClCCl,348.0
782,CC(C)(C)C1Nc2c(Br)cc(Br)cc2C(=O)N1Cc1ccccc1,CC#N,360.0
782,CC(C)(C)C1Nc2c(Br)cc(Br)cc2C(=O)N1Cc1ccccc1,CCCCCCCCCCCCCCCC,351.0
782,CC(C)(C)C1Nc2c(Br)cc(Br)cc2C(=O)N1Cc1ccccc1,CO,368.0
782,CC(C)(C)C1Nc2c(Br)cc(Br)cc2C(=O)N1Cc1ccccc1,ClC(Cl)Cl,359.0
782,CC(C)(C)C1Nc2c(Br)cc(Br)cc2C(=O)N1Cc1ccccc1,c1ccccc1,356.0
783,CC(C)(C)C1Nc2c(Cl)cc(Cl)cc2C(=O)N1Cc1ccccc1,CC#N,360.0
783,CC(C)(C)C1Nc2c(Cl)cc(Cl)cc2C(=O)N1Cc1ccccc1,CCCCCCCCCCCCCCCC,350.0
783,CC(C)(C)C1Nc2c(Cl)cc(Cl)cc2C(=O)N1Cc1ccccc1,CO,367.0
783,CC(C)(C)C1Nc2c(Cl)cc(Cl)cc2C(=O)N1Cc1ccccc1,ClC(Cl)Cl,357.0
783,CC(C)(C)C1Nc2c(Cl)cc(Cl)cc2C(=O)N1Cc1ccccc1,c1ccccc1,355.0
784,CC(C)(C)C1Nc2ccccc2C(=O)N1Cc1ccccc1,CC#N,344.0
784,CC(C)(C)C1Nc2ccccc2C(=O)N1Cc1ccccc1,CCCCCCCCCCCCCCCC,333.0
784,CC(C)(C)C1Nc2ccccc2C(=O)N1Cc1ccccc1,CO,353.0
784,CC(C)(C)C1Nc2ccccc2C(=O)N1Cc1ccccc1,ClC(Cl)Cl,341.0
784,CC(C)(C)C1Nc2ccccc2C(=O)N1Cc1ccccc1,c1ccccc1,339.0
14091,O=C1c2ccccc2NCN1Cc1ccccc1,CC#N,332.0
14091,O=C1c2ccccc2NCN1Cc1ccccc1,CCCCCCCCCCCCCCCC,323.0
14091,O=C1c2ccccc2NCN1Cc1ccccc1,CO,340.0
14091,O=C1c2ccccc2NCN1Cc1ccccc1,ClC(Cl)Cl,329.0
14091,O=C1c2ccccc2NCN1Cc1ccccc1,c1ccccc1,329.0
3937,CCCCCCN(c1ccc(/C=N/Nc2ccc(C(=O)O)cc2)cc1)c1ccc(/C=C(\C#N)c2ccc(/C=N/Nc3ccc(C(=O)O)cc3)s2)cc1,ClC(Cl)Cl,472.0
9253,COc1ccc(/C=C/c2[nH+]ccc3ccccc23)cc1,ClC(Cl)Cl,413.0
7119,CCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc(-c2ccccc2)c1-c1ccccc1,C1CCOC1,458.0
7152,CCn1c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)cc2c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,C1CCOC1,506.0
6079,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1nc(C)n2ccccc12)CCC3,ClCCl,701.0
7914,CN(c1ccccc1)c1ccc(/C=C/c2ccccc2)cc1,CC#N,354.0
7914,CN(c1ccccc1)c1ccc(/C=C/c2ccccc2)cc1,CCCCCC,352.0
244,C(=C/c1ccc(Nc2ccccc2)cc1)\c1ccccc1,CC#N,351.0
244,C(=C/c1ccc(Nc2ccccc2)cc1)\c1ccccc1,CCCCCC,346.0
11532,Cc1cccc(C)c1Nc1ccc(/C=C/c2ccccc2)cc1,CC#N,347.0
11532,Cc1cccc(C)c1Nc1ccc(/C=C/c2ccccc2)cc1,CCCCCC,341.0
7320,CN(C)c1ccc(-c2ccc(-c3ccc(N(C)C)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1,ClC(Cl)Cl,443.0
9025,COc1ccc(-c2ccc(-c3ccc(OC)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1,ClC(Cl)Cl,366.0
15375,c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2Sc2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21,ClCCl,341.0
9244,COc1ccc(/C=C/C2=CC(c3ccccc3)=[O+][B-](F)(F)O2)cc1,ClCCl,444.0
12019,F[B-]1(F)OC(/C=C/c2ccccc2)=CC(c2ccccc2)=[O+]1,ClCCl,398.0
9678,COc1ccc2[nH]cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=CC=CC3=C4)c2c1,CS(C)=O,587.0
10450,Cc1cc(/C=C/c2c[nH]c3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,584.0
10449,Cc1cc(/C=C/c2c[nH]c3ccc(Br)cc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,580.0
10442,Cc1cc(/C=C/c2c(C)[nH]c3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,595.0
2395,CCC1(CC)c2ccccc2-n2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3c3cccc1c32,C1CCOC1,440.0
12215,Fc1ccc(C2=NC(c3ccccc3)C(N(c3ccccc3)c3ccccc3)S2)cc1,ClC(Cl)Cl,363.0
2131,CC1=[N+]2C(=C(Oc3cc(C)c4c(c3)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,570.5
2131,CC1=[N+]2C(=C(Oc3cc(C)c4c(c3)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,575.0
15348,c1ccc2c(-c3cc4c(ccc5sc(-c6cccc7ccccc67)cc54)s3)cccc2c1,ClCCl,333.0
10715,Cc1cc(C)c(C)c(-c2ccc3cc(C)c(=O)oc3c2)c1C,C1CCCCC1,312.0
10715,Cc1cc(C)c(C)c(-c2ccc3cc(C)c(=O)oc3c2)c1C,CC#N,314.0
10715,Cc1cc(C)c(C)c(-c2ccc3cc(C)c(=O)oc3c2)c1C,CO,315.0
817,CC(C)(C)NC(=O)c1cc2ccccc2c2ccc3c4ccccc4c4ccccc4c3c12,ClCCl,305.0
8784,COc1cc(OC)cc(-c2ccc(C3=CC(c4ccccc4)=C(c4ccccc4)C3)cc2)c1,ClCCl,366.0
12987,N#Cc1c(N2CCCC2)cc(-c2ccccc2)c2c1-c1cccc3cccc-2c13,O,428.0
4373,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc(OCCCCCC)c(C#Cc3c(CCCCCC)cc(C#Cc4ccc(C(=O)O)c(C#N)c4)c4nsnc34)cc2OCCCCCC)cc1,CCO,498.0
4374,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc(OCCCCCC)c(C#Cc3c(CCCCCC)cc(C#Cc4ccc(C(=O)O)cc4)c4nsnc34)cc2OCCCCCC)cc1,CCO,492.0
4375,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc(OCCCCCC)c(C#Cc3c(CCCCCC)cc(C#Cc4ccc(C(=O)O)cc4C)c4nsnc34)cc2OCCCCCC)cc1,CCO,492.0
4372,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc(OCCCCCC)c(C#Cc3c(CCCCCC)cc(C#Cc4c(C)cc(C(=O)O)cc4C)c4nsnc34)cc2OCCCCCC)cc1,CCO,492.0
5076,CCCCCCn1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2c2cc(-c3ccc4c(c3)c3cc(/C=C5/SC(=S)N(CC(=O)O)C5=O)ccc3n4CCCCCC)ccc21,C1CCOC1,449.0
6620,CCOC(=O)COc1ccc(/C=C/C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c2c2ccccc2c3-c2[nH]c(C)cc2C)cc1,ClCCl,608.0
12643,N#CC(=Cc1cc2sc(-c3ccco3)cc2s1)C(=O)O,CCO,398.0
4338,CCCCCCOc1ccc(N(c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)c2ccc3c(c2)Sc2cc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)ccc2N3CCCCCC)cc1,C1CCOC1,490.0
12008,F[B-]1(F)N(c2ccccc2)c2cccc3ccc4ccc[n+]1c4c23,ClCCl,465.0
9608,COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C3=Cc2ccc(C=C(C#N)C(=O)O)s2)cc1,ClCCl,548.0
12288,N#C/C(=C/c1ccc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N(c3ccccc3)c3ccccc3)=C3/C=CC(=N3)/C=4c3ccccc3)/C(c3ccccc3)=C3/C=CC2=N3)cc1)C(=O)O,ClCCl,432.0
387,C1=C(c2ccc(-c3cccs3)s2)CCCC1,C1CCOC1,341.0
387,C1=C(c2ccc(-c3cccs3)s2)CCCC1,CC#N,342.0
387,C1=C(c2ccc(-c3cccs3)s2)CCCC1,CCCCCC,341.0
387,C1=C(c2ccc(-c3cccs3)s2)CCCC1,CCO,344.5
387,C1=C(c2ccc(-c3cccs3)s2)CCCC1,OCCOCCO,345.0
387,C1=C(c2ccc(-c3cccs3)s2)CCCC1,c1ccncc1,345.0
13083,N#Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,C1CCOC1,366.0
13083,N#Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,CC#N,366.0
13083,N#Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,CCCCCC,366.0
13083,N#Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,CCO,366.0
13083,N#Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,OCCOCCO,366.0
13083,N#Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,c1ccncc1,369.0
14126,O=Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,C1CCOC1,385.0
14126,O=Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,CC#N,358.0
14126,O=Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,CCCCCC,381.0
14126,O=Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,CCO,389.0
14126,O=Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,OCCOCCO,389.0
14126,O=Cc1ccc(-c2ccc(C3=CCCCC3)s2)s1,c1ccncc1,392.0
2192,CC1CC=C(c2ccc(-c3ccc(C#N)s3)s2)CC1,C1CCOC1,357.0
2192,CC1CC=C(c2ccc(-c3ccc(C#N)s3)s2)CC1,CC#N,355.0
2192,CC1CC=C(c2ccc(-c3ccc(C#N)s3)s2)CC1,CCCCCC,356.0
2192,CC1CC=C(c2ccc(-c3ccc(C#N)s3)s2)CC1,CCO,358.0
2192,CC1CC=C(c2ccc(-c3ccc(C#N)s3)s2)CC1,OCCOCCO,366.0
2192,CC1CC=C(c2ccc(-c3ccc(C#N)s3)s2)CC1,c1ccncc1,364.5
2193,CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,OCCOCCO,394.0
2193,CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,c1ccncc1,395.0
2193,CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,C1CCOC1,387.0
2193,CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,CC#N,387.0
2193,CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,CCO,390.0
2194,CC1CC=C(c2ccc(-c3cccs3)s2)CC1,C1CCOC1,341.0
2194,CC1CC=C(c2ccc(-c3cccs3)s2)CC1,CC#N,341.0
2194,CC1CC=C(c2ccc(-c3cccs3)s2)CC1,CCCCCC,341.0
2194,CC1CC=C(c2ccc(-c3cccs3)s2)CC1,CCO,339.5
2194,CC1CC=C(c2ccc(-c3cccs3)s2)CC1,OCCOCCO,341.0
2194,CC1CC=C(c2ccc(-c3cccs3)s2)CC1,c1ccncc1,343.0
1740,CC1(C)c2cc(C=C(C#N)C(=O)O)ccc2-c2ccc(-c3ccc(-c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5c4OCCO5)s3)cc21,C1CCOC1,454.0
5327,CCCCN1C(=O)C2=C(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)[N-]C(=O)C2=C1c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1,ClCCl,594.0
7397,CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c4c(cccc24)CC3)cc1,C1CCOC1,488.0
7397,CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c4c(cccc24)CC3)cc1,CC#N,494.0
7397,CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c4c(cccc24)CC3)cc1,CC(C)=O,492.0
7397,CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c4c(cccc24)CC3)cc1,CCOC(C)=O,497.0
7397,CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c4c(cccc24)CC3)cc1,CN(C)C=O,505.0
7397,CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c4c(cccc24)CC3)cc1,CO,496.0
7397,CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c4c(cccc24)CC3)cc1,Cc1ccccc1,487.0
7397,CN(C)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c4c(cccc24)CC3)cc1,ClC(Cl)Cl,483.0
4106,CCCCCCN1c2ccc(C=C(C#N)C(=O)O)cc2Sc2cc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,474.0
4071,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,474.0
8698,COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,ClCCl,420.0
8698,COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,C1CCOC1,421.0
8698,COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,CC#N,418.0
8698,COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,ClC(Cl)Cl,425.0
5383,CCCCN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,481.0
5385,CCCCN1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,481.0
3228,CCCCCCCCCCCC[C@@H](CCCCCCCCCC)CN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccccc4c4ccccc43)ccc21,ClCCl,478.0
4113,CCCCCCN1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,482.0
4094,CCCCCCN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,482.0
2852,CCCCCCC(CCCC)COc1ccc(N(c2ccc(OCC(CCCC)CCCCCC)cc2)c2ccc3c4ccc(C#Cc5ccc(-c6ccc(C(=O)O)cc6)c6cscc56)c5cccc(c6cccc2c63)c54)cc1,C1CCOC1,541.0
1611,CC7(C)Cc8cc1ccc([nH]1)c(c2ccccc2)c3nc(CC3(C)C)c(C#Cc4ccc(C(=O)O)cc4)c5ccc([nH]5)c(c6ccccc6)c7n8,C1CCOC1,745.0
10230,C[Si]1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2C=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,435.0
10414,Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)cc1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1N2c1ccccc1,c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1,363.4351949
10416,Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1N2c1ccccc1,c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1,371.9178082
15059,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4N5c4ccccc4)cc3)n2)cc1,c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1,387.776607
5658,CCCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21,C1CCOC1,469.0
15063,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1,Cc1ccccc1,368.0
2564,CCCCC(CC)CN(CC(CC)CCCC)c1ccc(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)c3nc4c(nc23)-c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1,ClCCl,545.0
7344,CN(C)c1ccc(-c2cnc(-c3ccc(C(=O)ON4C(=O)C=CC4=O)cc3)o2)cc1,CO,395.0
3351,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/C3=[N+](CC(=O)O)c4ccccc4C3(C)C)C2=O)cc1,C1CCOC1,630.0
3351,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/C3=[N+](CC(=O)O)c4ccccc4C3(C)C)C2=O)cc1,CN(C)C=O,620.0
3351,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/C3=[N+](CC(=O)O)c4ccccc4C3(C)C)C2=O)cc1,CO,620.0
3351,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/C3=[N+](CC(=O)O)c4ccccc4C3(C)C)C2=O)cc1,CS(C)=O,624.0
3351,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/C3=[N+](CC(=O)O)c4ccccc4C3(C)C)C2=O)cc1,Cc1ccccc1,633.0
3351,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/C3=[N+](CC(=O)O)c4ccccc4C3(C)C)C2=O)cc1,c1ccccc1,634.0
5585,CCCCc1cc(-c2cccc(COC)c2)oc1-c1cccc(-c2cc(CCCC)c(-c3cccc(-c4oc(-c5cccc(-c6oc(-c7cccc(COC)c7)cc6CCCC)c5)cc4CCCC)c3)o2)c1,ClC(Cl)Cl,336.0
4377,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc3c4cc(-c5cc6c(s5)c5sc(C=C(C#N)C(=O)O)cc5n6-c5cccc(OCCCCCC)c5)ccc4n(CCCCCC)c3cc2OCCCCCC)cc1,ClCCl,517.0
962,CC(C)(C)c1cc2c(-c3cccc(C#N)c3)c(-c3cccc(C#N)c3)c3cccc4c(-c5cccc(C#N)c5)c(-c5cccc(C#N)c5)c(c1)[n+]2c34,ClCCl,351.0
993,CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)c3cc(C(C)(C)C)cc4c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)c5cccc2c5[n+]34)cc1,ClCCl,358.0
964,CC(C)(C)c1cc2c(-c3ccccc3)c(-c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c(c1)[n+]2c34,ClCCl,354.0
14925,c1ccc(-c2c(-c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5cccc2c5[n+]34)cc1,ClCCl,355.0
8808,COc1cc2c(-c3ccccc3)c(-c3ccccc3)c3cc(C(C)(C)C)cc4c(-c5ccccc5)c(-c5ccccc5)c(c1)c2[n+]34,ClCCl,316.0
8809,COc1cc2c(-c3ccccc3)c(-c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c(c1)[n+]2c34,ClCCl,355.0
11568,Cc1ccccc1-c1c(-c2ccccc2C)c2cc(C(C)(C)C)cc3c(-c4ccccc4C)c(-c4ccccc4C)c4cccc1c4[n+]23,ClCCl,353.0
11507,Cc1cccc(-c2c(-c3cccc(C)c3)c3cc(C(C)(C)C)cc4c(-c5cccc(C)c5)c(-c5cccc(C)c5)c5cccc2c5[n+]34)c1,ClCCl,355.0
13059,N#Cc1cc2c(-c3ccccc3)c(-c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c(c1)[n+]2c34,ClCCl,365.0
675,CC(=O)c1ccc(-c2c(-c3ccc(C(C)=O)cc3)c3cc(C(C)(C)C)cc4c(-c5ccc(C(C)=O)cc5)c(-c5ccc(C(C)=O)cc5)c5cccc2c5[n+]34)cc1,ClCCl,353.0
8908,COc1ccc(-c2c(-c3ccc(OC)cc3)c3cc(C(C)(C)C)cc4c(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)c5cccc2c5[n+]34)cc1,ClCCl,357.0
11418,Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c1[n+]2c34,ClCCl,355.0
10892,Cc1ccc(-c2c(-c3ccc(C)cc3)c3cc(C(C)(C)C)cc4c(-c5ccc(C)cc5)c(-c5ccc(C)cc5)c5cccc2c5[n+]34)cc1,ClCCl,356.0
8324,COC(=O)c1cc2c(-c3ccccc3)c(-c3ccccc3)c3cc(C(C)(C)C)cc4c(-c5ccccc5)c(-c5ccccc5)c(c1)c2[n+]34,ClCCl,354.0
959,CC(C)(C)c1cc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c3cccc4c(-c5ccc(C(F)(F)F)cc5)c(-c5ccc(C(F)(F)F)cc5)c(c1)[n+]2c34,ClCCl,351.0
960,CC(C)(C)c1cc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c3cccc4c(-c5ccc(Cl)cc5)c(-c5ccc(Cl)cc5)c(c1)[n+]2c34,ClCCl,354.0
4096,CCCCCCN1c2ccc(C#Cc3ccc(-c4ccc(C#Cc5ccc6c(c5)Sc5cc(/C=C(/C#N)C(=O)O)ccc5N6CCCCCC)cc4)cc3)cc2Sc2cc(/C=C(/C#N)C(=O)O)ccc21,C1CCOC1,449.0
5201,CCCCCc1nc2c(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(C)cc3)cnc(-c3cc4c5nc(CCCCC)c(CCCCC)nc5c5cc(/C=C(\C#N)C(=O)O)sc5c4s3)c2nc1CCCCC,ClC(Cl)Cl,502.0
15184,c1ccc(B2Nc3cc4c(cc3-c3occc32)NB(c2ccccc2)c2ccoc2-4)cc1,ClCCl,388.0
7183,CCn1c2ccccc2c2cc(-c3ccc(C=C4C(=O)NC(=O)NC4=O)cc3)ccc21,CCO,489.0
5107,CCCCCCn1c2ccccc2c2cc(-c3ccc(C=C4C(=O)NC(=O)NC4=O)cc3)ccc21,ClC(Cl)Cl,458.0
465,C1=Cc2nc1c(-c1ccco1)c1ccc([nH]1)c(-c1ccco1)c1nc(c(-c3ccco3)c3ccc([nH]3)c2-c2ccco2)C=C1,ClCCl,433.0
6192,CCN(CC)c1ccc2cc(-c3cn4cc5ccccc5cc4n3)c(=O)oc2c1,ClC(Cl)Cl,434.0
11398,Cc1ccc(S(=O)(=O)/N=c2\oc3cccc4c5c(-c6ccccc6)oc6cccc(c(c2-c2ccccc2)c34)c65)cc1,ClC(Cl)Cl,445.0
2731,CCCCC(CC)Cn1c2ccc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc(/C=C(/C#N)C(=O)O)cc5)ccc3-4)cc2c2ccc3ccccc3c21,C1CCOC1,389.0
440,C1=CN2C[n+]3cccc(OCc4ccccc4)c3N=C2C(OCc2ccccc2)=C1,CO,450.0
12278,N#C/C(=C/c1ccc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,ClCCl,487.0
11211,Cc1ccc(N(c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)c(C)c1,ClC(Cl)Cl,507.0
5501,CCCCOc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,ClC(Cl)Cl,506.0
5502,CCCCOc1ccc(N(c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,ClC(Cl)Cl,506.0
12691,N#CC(=Cc1ccc(-c2ccc(N(c3ccc(Br)cc3)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,CO,460.0
12845,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(-c4ccc(C=C(C#N)C#N)s4)cc3)cc2)s1,C1CCOC1,484.0
14960,c1ccc(-c2cc3c(oc4ccccc43)c(-c3ccccc3)[o+]2)cc1,CC#N,385.0
14960,c1ccc(-c2cc3c(oc4ccccc43)c(-c3ccccc3)[o+]2)cc1,ClCCCl,395.0
4006,CCCCCCN1C(=O)c2cccc3cc(/N=C\c4c[nH]c5c4ccc4ccccc45)cc(c23)C1=O,ClC(Cl)Cl,342.0
6982,CC[N+]1=C(/C=C/c2cc3ccc4cccc5ccc(c2)c3c45)C(C)(C)c2ccccc21,C1CCOC1,418.0
6982,CC[N+]1=C(/C=C/c2cc3ccc4cccc5ccc(c2)c3c45)C(C)(C)c2ccccc21,CC#N,410.0
6982,CC[N+]1=C(/C=C/c2cc3ccc4cccc5ccc(c2)c3c45)C(C)(C)c2ccccc21,CS(C)=O,412.0
6982,CC[N+]1=C(/C=C/c2cc3ccc4cccc5ccc(c2)c3c45)C(C)(C)c2ccccc21,Cc1ccccc1,434.0
6982,CC[N+]1=C(/C=C/c2cc3ccc4cccc5ccc(c2)c3c45)C(C)(C)c2ccccc21,O,408.0
2410,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)O)c(C)n1c2=O,CC#N,417.0
2410,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)O)c(C)n1c2=O,CC(C)=O,417.0
2410,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)O)c(C)n1c2=O,CO,425.0
2410,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)O)c(C)n1c2=O,CS(C)=O,423.0
2410,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)O)c(C)n1c2=O,ClC(Cl)Cl,424.0
2410,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)O)c(C)n1c2=O,c1ccccc1,424.0
2411,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)OC)c(C)n1c2=O,CC#N,413.0
2411,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)OC)c(C)n1c2=O,CC(C)=O,413.0
2411,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)OC)c(C)n1c2=O,CO,420.0
2411,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)OC)c(C)n1c2=O,CS(C)=O,421.0
2411,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)OC)c(C)n1c2=O,ClC(Cl)Cl,423.0
2411,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)OC)c(C)n1c2=O,c1ccccc1,416.0
2412,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC)c(C)n1c2=O,CC#N,423.0
2412,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC)c(C)n1c2=O,CC(C)=O,422.0
2412,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC)c(C)n1c2=O,CO,428.0
2412,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC)c(C)n1c2=O,CS(C)=O,428.0
2412,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC)c(C)n1c2=O,ClC(Cl)Cl,432.0
2412,CCC1=C(C)C(=O)n2c1cc1c(C)c(CC)c(C)n1c2=O,c1ccccc1,428.0
2413,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)O)c(C)n1c2=O,CC#N,408.0
2413,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)O)c(C)n1c2=O,CC(C)=O,413.0
2413,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)O)c(C)n1c2=O,CO,425.0
2413,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)O)c(C)n1c2=O,CS(C)=O,426.0
2413,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)O)c(C)n1c2=O,ClC(Cl)Cl,428.0
2413,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)O)c(C)n1c2=O,c1ccccc1,421.0
2414,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)OC)c(C)n1c2=O,CC#N,420.0
2414,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)OC)c(C)n1c2=O,CC(C)=O,420.0
2414,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)OC)c(C)n1c2=O,CO,424.0
2414,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)OC)c(C)n1c2=O,CS(C)=O,425.0
2414,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)OC)c(C)n1c2=O,ClC(Cl)Cl,427.0
2414,CCC1=C(C)C(=O)n2c1cc1c(C)c(CCC(=O)OC)c(C)n1c2=O,c1ccccc1,420.0
2415,CCC1=C(C)C(=O)n2c1cc1c(C)cc(C)n1c2=O,CC#N,409.0
2415,CCC1=C(C)C(=O)n2c1cc1c(C)cc(C)n1c2=O,CC(C)=O,412.0
2415,CCC1=C(C)C(=O)n2c1cc1c(C)cc(C)n1c2=O,CO,420.0
2415,CCC1=C(C)C(=O)n2c1cc1c(C)cc(C)n1c2=O,CS(C)=O,420.0
2415,CCC1=C(C)C(=O)n2c1cc1c(C)cc(C)n1c2=O,ClC(Cl)Cl,420.0
2415,CCC1=C(C)C(=O)n2c1cc1c(C)cc(C)n1c2=O,c1ccccc1,423.0
2416,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)O)c(C)c(C)n1c2=O,CC#N,416.0
2416,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)O)c(C)c(C)n1c2=O,CC(C)=O,415.0
2416,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)O)c(C)c(C)n1c2=O,CO,421.0
2416,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)O)c(C)c(C)n1c2=O,CS(C)=O,421.0
2416,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)O)c(C)c(C)n1c2=O,ClC(Cl)Cl,423.0
2416,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)O)c(C)c(C)n1c2=O,c1ccccc1,419.0
2417,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)OC)c(C)c(C)n1c2=O,CC#N,420.0
2417,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)OC)c(C)c(C)n1c2=O,CC(C)=O,420.0
2417,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)OC)c(C)c(C)n1c2=O,CO,426.0
2417,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)OC)c(C)c(C)n1c2=O,CS(C)=O,427.0
2417,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)OC)c(C)c(C)n1c2=O,ClC(Cl)Cl,429.0
2417,CCC1=C(C)C(=O)n2c1cc1c(CCC(=O)OC)c(C)c(C)n1c2=O,c1ccccc1,425.0
9708,COc1ccc2c(c1)CCC1=C(c3ccccc3)C3=Nc4c(-c5ccccc5)c5c(n4[B-](F)(F)[N+]3=C12)-c1ccc(OC)cc1CC5,ClC(Cl)Cl,740.0
9709,COc1ccc2c(c1)CCc1c(-c3ccccc3)c3n(c1-2)[B-](F)(F)[N+]1=C2C(=C(c4ccccc4)C1=N3)CCc1ccccc12,ClC(Cl)Cl,723.0
13388,Nc1ccc2c(c1)Cc1c-2[o+]c2c(c1-c1c(F)c(F)c(F)c(F)c1F)Cc1cc(N)ccc1-2,CCO,546.0
13389,Nc1ccc2c(c1)Cc1c-2[o+]c2c(c1-c1ccccc1)Cc1cc(N)ccc1-2,CCO,598.0
13390,Nc1ccc2c(c1)Cc1c-2[o+]c2c(c1-c1ccccc1O)Cc1cc(N)ccc1-2,CCO,584.0
6123,CCN(CC)c1ccc2c(c1)Cc1c-2[o+]c2c(c1-c1ccccc1OC)Cc1cc(N(CC)CC)ccc1-2,CCO,630.0
7296,CN(C)c1ccc(-c2c3c([o+]c4c2Cc2cc(N)ccc2-4)-c2ccc(N)cc2C3)cc1,CCO,578.0
9944,COc1ccccc1-c1c2c([o+]c3c1Cc1cc(N)ccc1-3)-c1ccc(N)cc1C2,CCO,595.0
2586,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2C)cc1,ClCCl,510.0
2586,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2C)cc1,C1CCOC1,510.0
2586,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2C)cc1,Cc1ccccc1,510.0
2586,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2C)cc1,ClC(Cl)Cl,510.0
3890,CCCCCCCCn1nc2c(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(CC)CC)ccc(-c3cc4sc(/C=C(\C#N)C(=O)O)cc4s3)c2n1,C1CCOC1,444.0
12844,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc2)s1,CC#N,475.0
410,C1=C2B(Nc3ccccc31)c1cc(-c3ccc4c(c3)C=C3B(N4)c4cc(-c5ccc6c(c5)B5Nc7ccccc7C=C5C(c5ccccc5)=C6c5ccccc5)ccc4C(c4ccccc4)=C3c3ccccc3)ccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,407.0
12814,N#CC(=Cc1ncc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)s1)C(=O)O,ClC(Cl)Cl,566.0
14206,O=P1(c2ccccc2)c2ccccc2-n2cccc21,ClCCl,290.0
8128,COC(=O)/C=C/c1sc(-c2ccc(N(C)C)s2)c(-c2ccsc2)c1N,CC#N,472.0
2183,CC1CC(C)(C)N(C)c2ccc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClCCl,525.0
2184,CC1CC(C)(C)N(C)c2ccc(/C=C/c3ccc(C=C(C#N)C(=O)O)s3)cc21,CCO,422.0
2187,CC1CC(C)(C)N(C)c2ccc(C=Cc3ccc(C=C(C#N)C(=O)O)s3)cc21,CCO,468.0
2187,CC1CC(C)(C)N(C)c2ccc(C=Cc3ccc(C=C(C#N)C(=O)O)s3)cc21,ClCCl,525.0
2188,CC1CC(C)(C)N(C)c2ccc(C=Cc3ccc(C=C(C#N)P(=O)(O)O)s3)cc21,CCO,445.0
10095,C[C@H]1CC(C)(C)N(C)c2ccc(/C=C/c3ccc(/C=C(\C#N)P(=O)(O)O)s3)cc21,CCO,445.0
5328,CCCCN1C(=O)C2=C(c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)cc3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(C=C(C#N)C(=O)O)cc2)cc1,ClCCl,517.0
302,C(=C/c1ncnc2ccccc12)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,402.0
5875,CCCc1cc2c(s1)-c1cc3c(cc1NB2c1ccccc1)-c1sc(CCC)cc1B(c1ccccc1)N3,ClCCl,411.0
4890,CCCCCCc1cc2c(s1)-c1cc3c(cc1NB2c1ccccc1)-c1sc(CCCCCC)cc1B(c1ccccc1)N3,ClCCl,412.0
15186,c1ccc(B2Nc3cc4c(cc3-c3sccc32)NB(c2ccccc2)c2ccsc2-4)cc1,ClCCl,405.0
13174,N#Cc1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21,Cc1ccccc1,330.3287982
15311,c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1,ClCCl,310.0
779,CC(C)(C)C1CCC(=CS/C=C/c2ccc(/C=C/SC=C3CCC(C(C)(C)C)CC3)cc2)CC1,ClCCl,351.0
357,C(S/C=C/c1ccc(/C=C/SC=C2CCCCC2)cc1)=C1CCCCC1,ClCCl,350.0
2196,CC1CCC(=CS/C=C/c2ccc(/C=C/SC=C3CCC(C)CC3)cc2)CC1,ClCCl,350.0
4612,CCCCCCOc1ccc(N2c3ccccc3Sc3cc(-c4ccc5c(c4)Sc4cc(/C=C(\C#N)C(=O)O)ccc4N5c4ccc(OCCCCCC)cc4)ccc32)cc1,ClCCl,495.0
2510,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,C1CCOC1,405.0
2510,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,CC#N,417.0
2510,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,CN(C)C=O,406.0
2510,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,Cc1ccccc1,423.0
2510,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,ClC(Cl)Cl,419.0
2510,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,ClCCl,490.0
11306,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3C3CCCC32)cc1,ClCCl,518.0
11317,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)cc3C3CCCC32)cc1,ClCCl,518.0
10811,Cc1cc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1,Cc1ccccc1,365.4679376
10420,Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1N1c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc21,Cc1ccccc1,379.0294627
15088,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1,Cc1ccccc1,376.6556291
3747,CCCCCCCCc1ccc(-c2nc3c(-c4ccc(/C=C(/C#N)C(=O)O)cc4)sc(-c4cc(CCCCCCCC)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c3nc2-c2ccc(CCCCCCCC)s2)s1,ClCCl,605.0
3749,CCCCCCCCc1ccc(-c2nc3c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)sc(-c4cc(CCCCCCCC)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c3nc2-c2ccc(CCCCCCCC)s2)s1,ClCCl,605.0
1752,CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21,CCO,452.0
2764,CCCCC1(CCCC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N3c4ccccc4Sc4cc(C=C5c6ccccc6-c6ccccc65)ccc43)cc21,ClCCl,453.0
4309,CCCCCCOc1ccc(-n2c3ccsc3c3sc(-c4ccc5c(c4)Sc4cc(/C=C(\C#N)C(=O)O)ccc4N5CCCCCC)cc32)c(OCCCCCC)c1,ClCCl,483.0
4302,CCCCCCOc1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc5c(c4)Sc4ccccc4N5CCCCCC)cc32)c(OCCCCCC)c1,ClCCl,513.0
4310,CCCCCCOc1ccc(-n2c3ccsc3c3sc(-c4ccc5c(c4)Sc4cc(/C=C(\C#N)C(=O)O)ccc4N5CCCCCC)cc32)cc1,ClCCl,473.0
9928,COc1cccc2c(-c3ccccc3)c(-c3ccccc3)[n+](-c3ccccc3)cc12,ClCCl,400.0
4361,CCCCCCOc1ccc(N(c2ccc(C#Cc3c4ccccc4c(C#CC#Cc4ccc(C(=O)O)cc4)c4ccccc34)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,511.0
4362,CCCCCCOc1ccc(N(c2ccc(C#Cc3c4ccccc4c(C#CC#Cc4ccc(C=C(C#N)C(=O)O)cc4)c4ccccc34)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,505.0
14481,O=c1c2ccccc2n(-c2ccc(-c3ccc(-n4c5ccccc5c(=O)c5ccccc54)cc3)cc2)c2ccccc12,ClCCl,394.0
12679,N#C/C(=C/c1ccc(-c2ccc(C#C[Ru]34(C#Cc5ccc(-n6c7ccccc7c7ccccc76)cc5)([P](c5ccccc5)(c5ccccc5)CC[P]3(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)CC[P]4(c3ccccc3)C3C=CC=CC3)c3nsnc23)s1)C(=O)O,ClCCl,650.0
5958,CCN(CC)c1ccc(-c2nc3c4ccccc4n(C)c3nc2-c2ccc([B-](F)(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)cc1,C1CCOC1,411.1111111
3022,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3nnc(-c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4)o3)cc21,Cc1ccccc1,345.0
1250,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2)cc1,Cc1ccccc1,348.0
11263,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c4ccc(-c5ccc(C(=O)O)cc5)s4)sc2-3)cc1,ClC(Cl)Cl,442.0
11220,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4nsnc34)cc2)cc1,Cc1ccccc1,538.0
11220,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4nsnc34)cc2)cc1,ClCCl,536.0
4129,CCCCCCN1c2ccccc2Sc2cc(-c3ccc(N(c4ccc(-c5cc6c(s5)-c5sc(/C=C(\C#N)C(=O)O)cc5C6(CCCCCC)CCCCCC)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)ccc21,ClCCl,546.0
10604,Cc1cc(=O)c2c(ccc3ccc(O)cc32)o1,CC#N,336.0
5188,CCCCCc1c(/C=C(\C#N)C(=O)O)sc2c1sc1c3sc4c(CCCCC)c(-c5ccc(-c6ccc7c(c6)c6ccccc6n7CC(CC)CCCC)c6nsnc56)sc4c3c3nccnc3c21,C1CCOC1,603.0
12496,N#C/C(=C\c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)c(F)c1)C(=O)O,CN(C)C=O,440.0
12497,N#C/C(=C\c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)cc1)C(=O)O,CN(C)C=O,420.0
12497,N#C/C(=C\c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)cc1)C(=O)O,ClCCl,477.0
12498,N#C/C(=C\c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)cc1F)C(=O)O,CN(C)C=O,420.0
364,C/C(=C\c1ccc(C)cc1)c1nc2ccccc2o1,C1CCCCC1,315.0
364,C/C(=C\c1ccc(C)cc1)c1nc2ccccc2o1,CO,315.0
7460,CN(C)c1ccc(/C=C/c2nc3ccccc3o2)cc1,C1CCCCC1,380.0
7460,CN(C)c1ccc(/C=C/c2nc3ccccc3o2)cc1,CO,390.0
366,C/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1,C1CCCCC1,320.0
366,C/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1,CO,320.0
9301,COc1ccc(/C=C/c2nc3ccccc3o2)cc1,C1CCCCC1,330.0
9301,COc1ccc(/C=C/c2nc3ccccc3o2)cc1,CO,340.0
368,C/C(=C\c1ccccc1)c1nc2ccccc2o1,C1CCCCC1,315.0
288,C(=C/c1nc2ccccc2o1)\c1ccccc1,C1CCCCC1,320.0
288,C(=C/c1nc2ccccc2o1)\c1ccccc1,CO,320.0
368,C/C(=C\c1ccccc1)c1nc2ccccc2o1,CO,315.0
11769,Clc1ccc(/C=C/c2nc3ccccc3o2)cc1,C1CCCCC1,325.0
11769,Clc1ccc(/C=C/c2nc3ccccc3o2)cc1,CO,330.0
9232,COc1ccc(/C=C(\C)c2nc3ccccc3o2)cc1,C1CCCCC1,320.0
9232,COc1ccc(/C=C(\C)c2nc3ccccc3o2)cc1,CO,325.0
789,CC(C)(C)CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccc3c4ccc5c6c(ccc(c7cccc2c73)c64)C(=O)N(CC(=O)O)C5=O)cc1,ClCCl,590.0
7916,CN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(N(C)c6ccccc6)cc5)ccc5ccc2c3c54)cc1,ClCCl,435.0
15453,c1ccc2c(c1)cc(-c1cc(-c3nccs3)nc(-c3nccs3)c1)c1ccccc12,CCCCCC,324.0
15453,c1ccc2c(c1)cc(-c1cc(-c3nccs3)nc(-c3nccs3)c1)c1ccccc12,CO,326.0
15453,c1ccc2c(c1)cc(-c1cc(-c3nccs3)nc(-c3nccs3)c1)c1ccccc12,ClC(Cl)Cl,330.0
15453,c1ccc2c(c1)cc(-c1cc(-c3nccs3)nc(-c3nccs3)c1)c1ccccc12,CC#N,325.0
5059,CCCCCCn1c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)n3C)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21,C1CCOC1,497.0
3237,CCCCCCCCCCCCc1cc(-c2cc3sc4cc(-c5cc(CCCCCCCCCCCC)c(-c6ccc(N(c7ccccc7)c7ccc(/C=C(\C#N)C(=O)O)cc7)cc6)s5)sc4c3s2)sc1-c1ccc(N(c2ccccc2)c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1,C1CCOC1,438.0
3238,CCCCCCCCCCCCc1cc(-c2cc3sc4cc(-c5cc(CCCCCCCCCCCC)c(-c6ccc(N(c7ccccc7)c7ccc(/C=C(\C#N)C(=O)O)cc7)cc6)s5)sc4c3s2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,434.0
2324,CCC1(CC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClC(Cl)Cl,491.0
4410,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(/C=C(\C#N)C(=O)O)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,545.0
4414,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(C=C(C#N)C(=O)O)cc3C4(CC)CC)cc2)cc1,Clc1ccccc1,548.0
2917,CCCCCCC1(CCCCCC)c2cc(C=C(C#N)C#N)sc2-c2sc(-c3ccc(N(c4ccc(C(=O)O)cc4)c4ccc(C(=O)O)cc4)cc3)cc21,C1CCOC1,514.0
4415,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(C=C(C#N)C(=O)O)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,549.0
2354,CCC1(CC)c2cc(C=C(C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)cc3)cc21,ClC(Cl)Cl,521.0
4416,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(C=C(C#N)C(=O)O)cc3C4(F)F)cc2)cc1,Clc1ccccc1,555.0
3072,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C=C(C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)cc21,ClC(Cl)Cl,552.0
5691,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(N(c3ccc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)cc3)c3ccc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)cc3)cc21,ClCCl,500.0
3589,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4sc(/C=C(/C#N)C(=O)O)c5c4OCCO5)c4nccnc34)cc2)cc1,Cc1ccccc1,486.0
15407,c1ccc2c(c1)OP1(=NP(Oc3ccc4ccc5cccc6ccc3c4c56)(Oc3ccc4ccc5cccc6ccc3c4c56)=NP(Oc3ccc4ccc5cccc6ccc3c4c56)(Oc3ccc4ccc5cccc6ccc3c4c56)=N1)Oc1ccccc1-2,ClCCl,343.0
219,C(=C/c1ccc(-c2ccc(/C=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)s2)s1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,Cc1ccccc1,440.2214022
11082,Cc1ccc(C#Cc2ccc3ccc(=O)oc3c2)cc1,CC#N,304.0
7515,CN(C)c1ccc(C#Cc2ccc3ccc(=O)oc3c2)cc1,CC#N,333.0
9351,COc1ccc(C#Cc2ccc3ccc(=O)oc3c2)cc1,CC#N,308.0
14518,O=c1ccc2ccc(C#Cc3ccccc3)cc2o1,CC#N,300.0
1386,CC(C)Oc1ccc(C#Cc2ccc3ccc(=O)oc3c2)cc1,CC#N,310.0
13047,N#Cc1cc(C#N)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,394.0
6381,CCN1C(=O)C(=Cc2ccc(-c3sc(N(c4ccccc4)c4ccccc4)nc3-c3ccccc3)s2)C(=O)N(CC)C1=S,C1CCOC1,552.0
6381,CCN1C(=O)C(=Cc2ccc(-c3sc(N(c4ccccc4)c4ccccc4)nc3-c3ccccc3)s2)C(=O)N(CC)C1=S,CC#N,548.0
6381,CCN1C(=O)C(=Cc2ccc(-c3sc(N(c4ccccc4)c4ccccc4)nc3-c3ccccc3)s2)C(=O)N(CC)C1=S,CCCCCC,554.0
6381,CCN1C(=O)C(=Cc2ccc(-c3sc(N(c4ccccc4)c4ccccc4)nc3-c3ccccc3)s2)C(=O)N(CC)C1=S,CS(C)=O,558.0
6381,CCN1C(=O)C(=Cc2ccc(-c3sc(N(c4ccccc4)c4ccccc4)nc3-c3ccccc3)s2)C(=O)N(CC)C1=S,Cc1ccccc1,560.0
6381,CCN1C(=O)C(=Cc2ccc(-c3sc(N(c4ccccc4)c4ccccc4)nc3-c3ccccc3)s2)C(=O)N(CC)C1=S,ClCCl,566.0
14329,O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,C1COCCO1,375.0
13120,N#Cc1ccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,C1CCOC1,378.0
14329,O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,CC#N,378.0
14329,O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,CCCCCCC,370.0
13122,N#Cc1ccc(/C=C/C=C/c2ccccc2)cc1,CC#N,344.0
13122,N#Cc1ccc(/C=C/C=C/c2ccccc2)cc1,CCCCCCC,344.0
14329,O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,CO,379.0
13122,N#Cc1ccc(/C=C/C=C/c2ccccc2)cc1,CO,344.0
14329,O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,CN(C)C=O,383.0
14329,O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,C1CCOC1,374.0
7407,CN(C)c1ccc(/C=C/C=C/c2ccc(C#N)cc2)cc1,CC#N,402.0
7407,CN(C)c1ccc(/C=C/C=C/c2ccc(C#N)cc2)cc1,CCCC#N,410.0
7407,CN(C)c1ccc(/C=C/C=C/c2ccc(C#N)cc2)cc1,CCCCCC,400.0
181,C(/C=C/c1ccccc1)=C\c1ccccc1,CCCCCC,347.0
7407,CN(C)c1ccc(/C=C/C=C/c2ccc(C#N)cc2)cc1,CCOCC,400.0
12329,N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,C1CCOC1,366.0
12329,N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,C1COCCO1,364.0
12329,N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,CC#N,368.0
12329,N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,CCCCCCC,356.0
12329,N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,CN(C)C=O,373.0
12329,N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,CO,368.0
12332,N#C/C(=C\C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,373.0
12332,N#C/C(=C\C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1,C1COCCO1,371.0
12332,N#C/C(=C\C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1,CC#N,374.0
12332,N#C/C(=C\C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1,CCCCCCC,366.0
12332,N#C/C(=C\C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1,CN(C)C=O,376.0
12332,N#C/C(=C\C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1,CO,375.0
12333,N#C/C(=C\C=C\c1ccccc1)c1ccccc1,C1CCOC1,343.0
12333,N#C/C(=C\C=C\c1ccccc1)c1ccccc1,C1COCCO1,343.0
12333,N#C/C(=C\C=C\c1ccccc1)c1ccccc1,CC#N,343.0
12333,N#C/C(=C\C=C\c1ccccc1)c1ccccc1,CCCCCCC,341.0
12333,N#C/C(=C\C=C\c1ccccc1)c1ccccc1,CN(C)C=O,349.0
12333,N#C/C(=C\C=C\c1ccccc1)c1ccccc1,CO,343.0
13120,N#Cc1ccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,C1COCCO1,368.0
13120,N#Cc1ccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC#N,374.0
13120,N#Cc1ccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CCCCCCC,362.0
13120,N#Cc1ccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CN(C)C=O,381.0
13120,N#Cc1ccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CO,375.0
13122,N#Cc1ccc(/C=C/C=C/c2ccccc2)cc1,C1CCOC1,346.0
13122,N#Cc1ccc(/C=C/C=C/c2ccccc2)cc1,C1COCCO1,347.0
10804,Cc1cc(N(C)C)cc(C)c1/C=C/C=C/c1ccc(C#N)cc1,CC#N,392.0
10804,Cc1cc(N(C)C)cc(C)c1/C=C/C=C/c1ccc(C#N)cc1,CCCCCC,390.0
10804,Cc1cc(N(C)C)cc(C)c1/C=C/C=C/c1ccc(C#N)cc1,CCOCC,388.0
13122,N#Cc1ccc(/C=C/C=C/c2ccccc2)cc1,CN(C)C=O,349.0
166,C(#Cc1nc(C#Cc2ccccc2)c(C#Cc2ccccc2)c(C#Cc2ccccc2)c1C#Cc1ccccc1)c1ccccc1,ClCCl,421.0
1080,CC(C)(C)c1ccc(C#Cc2nc(C#Cc3ccc(C(C)(C)C)cc3)c(C#Cc3ccc(C(C)(C)C)cc3)c(C#Cc3ccc(C(C)(C)C)cc3)c2C#Cc2ccc(C(C)(C)C)cc2)cc1,ClCCl,421.0
9355,COc1ccc(C#Cc2nc(C#Cc3ccc(OC)cc3)c(C#Cc3ccc(OC)cc3)c(C#Cc3ccc(OC)cc3)c2C#Cc2ccc(OC)cc2)cc1,ClCCl,421.0
12208,Fc1ccc(C#Cc2nc(C#Cc3ccc(F)cc3)c(C#Cc3ccc(F)cc3)c(C#Cc3ccc(F)cc3)c2C#Cc2ccc(F)cc2)cc1,ClCCl,407.0
5215,CCCCN(CCCC)c1cc(OC)c(/C=C/c2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)cc1OC,ClCCl,412.0
5467,CCCCOc1cc(/C=C/c2cc(OC)c(N(CCCC)CCCC)cc2OC)c(OCCCC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,C1CCOC1,380.0
5467,CCCCOc1cc(/C=C/c2cc(OC)c(N(CCCC)CCCC)cc2OC)c(OCCCC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,CC#N,374.0
5467,CCCCOc1cc(/C=C/c2cc(OC)c(N(CCCC)CCCC)cc2OC)c(OCCCC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,Cc1ccccc1,380.0
5467,CCCCOc1cc(/C=C/c2cc(OC)c(N(CCCC)CCCC)cc2OC)c(OCCCC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,ClCCl,381.0
5469,CCCCOc1cc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)c(OCCCC)cc1/C=C/c1ccc(N(CCCC)CCCC)cc1,C1CCOC1,418.0
5469,CCCCOc1cc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)c(OCCCC)cc1/C=C/c1ccc(N(CCCC)CCCC)cc1,CC#N,415.0
5469,CCCCOc1cc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)c(OCCCC)cc1/C=C/c1ccc(N(CCCC)CCCC)cc1,Cc1ccccc1,419.0
5469,CCCCOc1cc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)c(OCCCC)cc1/C=C/c1ccc(N(CCCC)CCCC)cc1,ClCCl,428.0
14402,O=[N+]([O-])c1ccco1,CO,302.0
14402,O=[N+]([O-])c1ccco1,O,313.0
12318,N#C/C(=C/c1sc(-c2ccc(N(c3ccccc3)c3ccc(-c4sc(/C=C(/C#N)C(=O)O)c5c4OCCO5)cc3)cc2)c2c1OCCO2)C(=O)O,CCO,493.0
5670,CCCCn1c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(O)c(O)c6)s5)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,429.0
11226,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)cc5)s4)s3)cc2)cc1,ClC(Cl)Cl,475.0
8172,COC(=O)C1(C(=O)OC)Cc2c(C#Cc3ccc(OC)cc3)c(-c3ccc(OC)cc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3c2C1,C1CCOC1,348.891129
8173,COC(=O)C1(C(=O)OC)Cc2c(C#Cc3ccccc3)c(-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3c2C1,C1CCOC1,339.516129
8370,COC(=O)c1ccc(C#Cc2c3c(c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4c2-c2ccc(C(=O)OC)cc2)CC(C(=O)OC)(C(=O)OC)C3)cc1,C1CCOC1,347.3790323
10343,Cc1c(N2C(=O)C=CC2=O)c(=O)oc2cc(N(C)C)ccc12,CO,383.0
737,CC(=O)c1ccn2c3c(c(/C=C/c4cc[n+](C)cc4)c2c1)CN(C)C3=O,O,459.0
15389,c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2cc3c(cc21)-c1ccccc1[Si]31c2ccccc2-c2ccccc21,ClCCl,329.0
1807,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc6cc(C(C#N)C(=O)O)sc6c5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,525.0
3462,CCCCCCCCOc1c(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc(-c2cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s2)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,401.0
3464,CCCCCCCCOc1c(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,400.0
9400,COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)c3ccc4ccccc4c32)cc1,C1CCCCC1,336.0
7238,CCn1c2ccccc2oc2c(C#N)c3oc4ccccc4oc3c(C#N)c21,ClC(Cl)Cl,470.0
10264,C[n+]1ccc2c(ccc3c[n+](C)c4ccc5ccccc5c4c32)c1,CC#N,470.0
4780,CCCCCCc1cc(-c2ccc3c(c2)C(=O)c2cc(-c4cc(CCCCCC)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)s4)ccc2-3)sc1C=C(C#N)C(=O)O,ClC(Cl)Cl,303.0
4778,CCCCCCc1cc(-c2ccc3c(c2)C(=O)c2cc(-c4cc(CCCCCC)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)s4)ccc2-3)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,427.0
4779,CCCCCCc1cc(-c2ccc3c(c2)C(=O)c2cc(-c4cc(CCCCCC)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)s4)ccc2-3)sc1C=C(C#N)C#N,ClC(Cl)Cl,368.0
15103,c1ccc(-c2nc3c(ccc4[nH]ccc43)o2)cc1,C1CCCCC1,331.0
15103,c1ccc(-c2nc3c(ccc4[nH]ccc43)o2)cc1,C1COCCO1,333.0
15103,c1ccc(-c2nc3c(ccc4[nH]ccc43)o2)cc1,CC#N,320.0
15103,c1ccc(-c2nc3c(ccc4[nH]ccc43)o2)cc1,CO,325.0
15103,c1ccc(-c2nc3c(ccc4[nH]ccc43)o2)cc1,Cc1ccccc1,322.0
15103,c1ccc(-c2nc3c(ccc4[nH]ccc43)o2)cc1,O,321.0
7676,CN(C)c1ccc2c(C(=O)NCc3ccccc3)cc(C(=O)[O-])nc2c1,CCO,403.0
6732,CCOC(=O)c1cc(C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2n1,CCO,426.0
226,C(=C/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1ccc(-c2nnc(-c3ccccc3)o2)cc1,CN(C)C=O,347.0
4969,CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc(-c8cc(CCCCCC)c(-c9ccc(-c%10ccc(-c%11sc(/C=C(\C#N)C(=O)O)cc%11CCCCCC)s%10)s9)s8)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1,ClC(Cl)Cl,467.0
8343,COC(=O)c1ccc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc1,Cc1ccccc1,364.0
15357,c1ccc2c(-c3nc4sc5ccccc5c4s3)cccc2c1,CS(C)=O,350.0
14050,O=C1c2cccc3c(C#CC#Cc4ccc5c6c(cccc46)C(=O)N(c4ccccc4)C5=O)ccc(c23)C(=O)N1c1ccccc1,ClCCl,386.0
2894,CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)s7)s6)s5)cc4)c4ccc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc5-6)s4)s3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,451.0
9402,COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)c3sccc32)cc1,C1CCCCC1,296.0
4932,CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2ccc4ccccc4c2-3)cc1,ClCCl,390.0
4932,CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2ccc4ccccc4c2-3)cc1,C1CCOC1,392.0
4932,CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2ccc4ccccc4c2-3)cc1,CC#N,385.0
4932,CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2ccc4ccccc4c2-3)cc1,Cc1ccccc1,393.0
15096,c1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccccc2)cc1,CC#N,317.0
9110,COc1ccc(-c2nc(-c3ccc(/C=C(\C#N)C(=O)O)s3)n(C)c2-c2ccc(OC)cc2)cc1,ClCCl,418.0
7114,CCn1c(-c2ccc(/C=C(\C#N)C(=O)O)s2)nc(-c2ccc(N(C)C)cc2)c1-c1ccc(N(C)C)cc1,ClCCl,446.0
7290,CN(C)c1cc2oc3cc(=[N+](C)C)c(-c4ccccc4)cc-3c(-c3ccccc3C(=O)[O-])c2cc1-c1ccccc1,CO,548.0
15271,c1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1,ClCCl,347.0
15305,c1ccc(N2N=C(c3ccc4ccc5cccc6ccc3c4c56)CC2c2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,422.0
3474,CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(N(c3ccccc3)c3ccccc3)s2)c2nsnc2c1-c1ccc(/C=C(/C#N)C(=O)O)cc1,ClCCl,483.0
3477,CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(N(c3ccccc3)c3ccccc3)s2)c2nsnc2c1-c1ccc(/C=C(\C#N)C(=O)O)cc1,ClCCl,483.0
7032,CC[n+]1c(C=C2C(=O)C(C=C3Sc4cc(Cl)ccc4N3C)=C2[O-])[se]c2ccccc21,ClC(Cl)Cl,677.0
7032,CC[n+]1c(C=C2C(=O)C(C=C3Sc4cc(Cl)ccc4N3C)=C2[O-])[se]c2ccccc21,ClCCl,678.0
7032,CC[n+]1c(C=C2C(=O)C(C=C3Sc4cc(Cl)ccc4N3C)=C2[O-])[se]c2ccccc21,CO,658.0
3213,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc3ccc4cccc5ccc2c3c45)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1c2ccccc2c(C#Cc2ccc(C(=O)O)cc2)c2ccccc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,699.0
1675,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5c4OCCO5)s2)c(=O)oc31,C1CCOC1,527.0
6824,CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C)ccc12,CCO,433.0
6824,CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C)ccc12,CS(C)=O,449.0
13742,O=C(O)c1ccc(C(=O)O)c(-c2c3cc(Cl)c(=O)cc-3oc3cc(O)c(Cl)cc23)c1,O,504.0
13743,O=C(O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1,O,492.0
8080,CNc1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C(=O)O)c1N,O,495.0
13772,O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12,CCO,525.0
13773,O=C(O)c1ccccc1-c1c2cc(Cl)c(=O)cc-2oc2cc(O)c(Cl)cc12,O,503.0
13774,O=C(O)c1ccccc1-c1c2cc(F)c(=O)cc-2oc2cc(O)c(F)cc12,O,490.0
13775,O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,O,490.0
13795,O=C(O[Na])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg]O)c(O[Na])c(Br)cc12,CCO,517.0
13798,O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Cl)c(=O)c(Cl)c-2oc2c(Cl)c(O)c(Cl)cc12,O,537.0
13799,O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,CC(C)O,561.0
13799,O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,CCO,558.0
13799,O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,CO,556.0
13799,O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,O,548.0
13675,O=C(O)c1cc(CBr)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,O,492.0
13676,O=C(O)c1cc(CCl)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,O,491.0
13678,O=C(O)c1cc(N=C=S)ccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12,O,521.0
13679,O=C(O)c1cc(N=C=S)ccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12,O,532.0
13680,O=C(O)c1cc(N=C=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,O,494.0
13809,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,CC(C)O,529.0
13809,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,CCO,527.0
13809,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,CO,522.0
13809,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,O,515.0
13810,O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,CC(C)O,532.0
13810,O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,CCO,532.0
13263,NCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,O,491.0
13810,O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,CO,526.0
13810,O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,O,521.0
8807,COc1cc2c(-c3cc(C(=O)O)ccc3C(=O)O)c3cc(OC)c(=O)c(Cl)c-3oc2c(Cl)c1O,O,520.0
13694,O=C(O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,O,493.0
13589,O=C(O)CCc1cc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3cc(CCC(=O)O)c(=O)cc-3oc2cc1O,O,501.0
6823,CCOC(=O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12,O,522.0
6824,CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C)ccc12,C1CCOC1,428.0
6824,CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C)ccc12,CC#N,445.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,CC#N,322.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,CCO,325.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,CCOC(C)=O,323.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,CCOCC,322.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,CO,323.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,Cc1ccccc1,321.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,ClC(Cl)Cl,324.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,C1CCCCC1,321.0
15361,c1ccc2c(-n3c4ccccc4c4ccccc43)cccc2c1,C1CCOC1,323.0
12864,N#CC(C#N)=Cc1ccc2c(c1)c1cc(C=C(C#N)C#N)ccc1n2-c1cccc2ccccc12,ClCCl,418.0
12866,N#CC(C#N)=Cc1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12,ClCCl,404.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCCCOCCCC,497.5
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCOC(C)=O,496.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCOCC,496.5
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CN(C)C=O,504.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CS(C)=O,506.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,Cc1ccccc1,505.5
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,ClC(Cl)Cl,509.5
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,C1CCCCC1,497.5
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,C1CCOC1,500.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,C1COCCO1,502.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CC#N,498.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CC(C)=O,499.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CC(C)CC(C)(C)C,492.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CC1CCCCC1,498.5
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCCCC,489.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCCCCC,491.0
14005,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCCCCCC,495.0
2570,CCCCC(CC)CN1C(=O)/C(=c2\s/c(=c3/c(=Cc4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)sc(=O)n3CC(=O)O)c(=O)n2CC(CC)CCCC)SC1=S,ClC(Cl)Cl,572.0
3383,CCCCCCCCN1C(=O)/C(=c2\s/c(=c3/c(=Cc4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)sc(=O)n3CC(=O)O)c(=O)n2CCCCCCCC)SC1=S,ClC(Cl)Cl,574.0
6369,CCN1C(=O)/C(=c2\s/c(=c3/c(=Cc4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)sc(=O)n3CC(=O)O)c(=O)n2CC)SC1=S,ClC(Cl)Cl,573.0
8265,COC(=O)c1c(C(=O)OC)c2ccc(C)nn2c1C,C1CCCCC1,380.4
951,CC(C)(C)c1cc(C#Cc2ccc3c(C#Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc4c5cc(C#Cc6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccc5c(C#Cc5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4c3c2)cc(C(C)(C)C)c1,ClCCl,416.0
10696,Cc1cc(C)c(B(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,380.0
10332,Cc1c(C)n2c(CSCC(=O)O)c(C)c(=O)n2c1=O,CO,380.0
10326,Cc1c(C)n2c(CN)c(C)c(=O)n2c1=O,CO,375.0
10327,Cc1c(C)n2c(CNC(=O)CI)c(C)c(=O)n2c1=O,CO,375.0
10328,Cc1c(C)n2c(COC(=O)CNC(=O)OC(C)(C)C)c(C)c(=O)n2c1=O,CCO,374.0
11590,Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Ge](C)(C)c2cc(N(C)C)ccc21,O,635.0
2451,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc5cc6ccccc6cc5c3)(Oc3ccccc3-4)[N+]2=C1C,Cc1ccccc1,630.0
2451,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc5cc6ccccc6cc5c3)(Oc3ccccc3-4)[N+]2=C1C,ClCCl,627.0
2451,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc5cc6ccccc6cc5c3)(Oc3ccccc3-4)[N+]2=C1C,CC#N,621.0
2451,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc5cc6ccccc6cc5c3)(Oc3ccccc3-4)[N+]2=C1C,CCCCCC,626.0
10747,Cc1cc(C)c(Oc2cccc3c(/C4=c5\cc/c6n5[Zn]n5c(ccc5/C(c5cc(C(C)(C)C)cc(C(C)(C)C)c5)=C5/C=CC4=N5)/C(C#Cc4ccc(C(=O)O)cc4)=C4/C=CC(=N4)/C=6c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cccc(Oc5c(C)cc(C)cc5C)c4cc23)c(C)c1,C1CCOC1,639.0
6181,CCN(CC)c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc7ccc(N(CC)CC)cc7oc6=O)cc5)c5ccccc45)cc3)c(=O)oc2c1,ClC(Cl)Cl,412.0
14476,O=c1c2cccc3cccc(c32)c2nc3ccccc3n12,ClCCl,384.0
14473,O=c1c2cccc3cccc(c32)c2nc3c(F)c(F)c(F)c(F)c3n12,ClCCl,382.0
14476,O=c1c2cccc3cccc(c32)c2nc3ccccc3n12,CCO,605.0
13029,N#Cc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1C#N,Cc1ccccc1,406.0
7061,CCc1cc(CC)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(CC)cc(CC)c2)c1,ClC(Cl)Cl,410.0
7065,CCc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(CC)cc2)cc1,ClC(Cl)Cl,409.0
12105,F[B-]1(F)n2c(cc3oc4ccccc4c32)C(c2ccc(I)cc2)=C2C=c3oc4ccccc4c3=[N+]21,ClC(Cl)Cl,637.0
76,C#CCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N(CC)CC)cc4)c4c(C)cc(/C=C/c5ccc(OCC(=O)OC)cc5)n4[B-]3(F)F)C(C)=C2)cc1,CO,640.0
77,C#CCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N(CC)CC)cc4)c4c(C)cc(/C=C/c5ccc(S(=O)(=O)O)cc5S(=O)(=O)O)n4[B-]3(F)F)C(C)=C2)cc1,O,643.0
8527,COCCOCCOCCOc1ccc(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5ccc(OCCOCCOCCOC)cc5)n4[B-]3(F)F)C(C)=C2I)cc1,C1CCOC1,664.0
8527,COCCOCCOCCOc1ccc(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5ccc(OCCOCCOCCOC)cc5)n4[B-]3(F)F)C(C)=C2I)cc1,CS(C)=O,666.0
8527,COCCOCCOCCOc1ccc(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5ccc(OCCOCCOCCOC)cc5)n4[B-]3(F)F)C(C)=C2I)cc1,ClCCl,664.0
1979,CC1=CC(/C=C/c2ccc(C)cc2)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccc(C)cc3)n1[B-]2(F)F,CC1CCCO1,631.0
1981,CC1=CC(/C=C/c2ccc(N(C)C)cc2)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(/C=C/c3ccc(N(C)C)cc3)n1[B-]2(F)F,CC#N,701.0
1982,CC1=CC(/C=C/c2ccc(N(C)C)cc2)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccc(N(C)C)cc3)n1[B-]2(F)F,ClC(Cl)Cl,700.0
11132,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,C1COCCO1,633.0
3289,CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(C2=C3C(C)=CC(/C=C/c4ccc(OC)cc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OC)cc4)cc(C)c32)c1,ClC(Cl)Cl,645.0
11132,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,C1CCOC1,632.0
11132,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,CO,626.0
11132,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,ClC(Cl)Cl,635.0
11132,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,C1CCCCC1,630.0
1992,CC1=CC(/C=C/c2ccc([N+](C)(C)C)cc2)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(/C=C/c3ccc([N+](C)(C)C)cc3)n1[B-]2(F)F,CC#N,618.0
1994,CC1=CC(/C=C/c2ccccc2)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccccc3)n1[B-]2(F)F,Cc1ccccc1,629.0
4085,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(CC=Cc3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21,Clc1ccccc1,485.0
12876,N#CC(C#N)=c1[nH]c(=O)/c(=C/c2ccc(N(c3ccc(/C=c4\sc(=C(C#N)C#N)[nH]c4=O)cc3)c3ccc(/C=c4/sc(=C(C#N)C#N)[nH]c4=O)cc3)cc2)s1,CCO,454.0
4597,CCCCCCOc1ccc(N(c2ccc3c(c2)Sc2cc(/C=C(\C#N)C(=O)O)ccc2N3CCCCCC)c2ccc3c(c2)c2ccccc2n3CCCCCC)cc1,ClCCl,506.0
14048,O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1C1CCCCC1,CCCCCC,399.0
14048,O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1C1CCCCC1,ClC(Cl)Cl,402.0
14048,O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1C1CCCCC1,ClCCl,410.0
14048,O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1C1CCCCC1,C1CCOC1,407.0
9548,COc1ccc(N(c2ccc(C#Cc3ccc(N(c4ccc(C#Cc5ccc(C=C(C#N)C(=O)O)cc5)cc4)c4ccc(C#Cc5ccc(/C=C(/C#N)C(=O)O)cc5)cc4)cc3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,445.0
6071,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/Nc1ccccc1)CCC3,ClC(Cl)Cl,608.0
6071,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/Nc1ccccc1)CCC3,ClCCl,607.0
6071,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/Nc1ccccc1)CCC3,CCO,595.0
7212,CCn1c2ccccc2c2cc(C3=CC(c4ccc5c(c4)c4ccccc4n5CC)=[O+][B-](F)(F)O3)ccc21,CC(C)=O,464.0
7212,CCn1c2ccccc2c2cc(C3=CC(c4ccc5c(c4)c4ccccc4n5CC)=[O+][B-](F)(F)O3)ccc21,CO,463.0
7212,CCn1c2ccccc2c2cc(C3=CC(c4ccc5c(c4)c4ccccc4n5CC)=[O+][B-](F)(F)O3)ccc21,Cc1ccccc1,460.0
7212,CCn1c2ccccc2c2cc(C3=CC(c4ccc5c(c4)c4ccccc4n5CC)=[O+][B-](F)(F)O3)ccc21,ClC(Cl)Cl,466.0
7212,CCn1c2ccccc2c2cc(C3=CC(c4ccc5c(c4)c4ccccc4n5CC)=[O+][B-](F)(F)O3)ccc21,ClCCl,467.0
7212,CCn1c2ccccc2c2cc(C3=CC(c4ccc5c(c4)c4ccccc4n5CC)=[O+][B-](F)(F)O3)ccc21,C1CCOC1,460.0
1520,CC(C)n1nc(CCc2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,Cc1ccccc1,359.0
1520,CC(C)n1nc(CCc2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,O,341.0
1520,CC(C)n1nc(CCc2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,CC#N,360.0
14269,O=S1(=O)c2ccccc2Oc2cc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc5c(c3)Oc3ccccc3S5(=O)=O)c3ccccc34)ccc21,Cc1ccccc1,359.8885794
9032,COc1ccc(-c2ccc(/C=C/c3cnc4ccccc4n3)cc2)cc1,ClCCl,379.0
11050,Cc1ccc(/C2=c3\cc/c(o3)=C(\c3ccc(C)cc3)c3ccc([nH]3)-c3ccc4n3[P-](=O)(=O)[N+]3=C(C=CC3=C4c3ccco3)c3ccc2[nH]3)cc1,ClC(Cl)Cl,744.0
2054,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc(O)cc3)s1)c1c(C)cc(C)n1[B-]2(F)F,CO,511.0
2054,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc(O)cc3)s1)c1c(C)cc(C)n1[B-]2(F)F,Cc1ccccc1,517.0
2054,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc(O)cc3)s1)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,514.0
11180,Cc1ccc(C2=[N+]3C(=Nc4c5ccccc5c(-c5ccc(C)s5)n4[B-]3(F)F)c3ccccc32)s1,ClCCl,793.0
12765,N#CC(=Cc1ccc(C=Cc2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1)C(=O)O,ClCCl,418.0
10720,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,CCCCCC,532.0
10720,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,CN(C)C=O,485.0
10720,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,CO,483.0
10720,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,Cc1ccccc1,525.0
10720,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,ClCCl,497.0
11169,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)cc1,ClCCl,488.0
14347,O=[N+]([O-])c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)cc1,ClCCl,496.0
12118,F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C2C=CC=[N+]21,ClCCl,491.0
10720,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,CC#N,480.0
7938,CN1/C(=C\C2=C([O-])/C(=C/C3=[N+](C)c4ccc(-n5c(-c6ccc(-c7ccc(-c8ccc(/C=C(/C#N)C(=O)O)s8)s7)cc6)nc6c7ccccc7c7ccccc7c65)cc4C3(C)C)C2=O)C(C)(C)c2ccccc21,CN(C)C=O,641.0
4186,CCCCCCOc1cc(-n2cc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)nn2)c(OCCCCCC)cc1C=C(C#N)C(=O)O,ClCCl,406.0
7214,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(c4ccc(OC)cc4)=C3)ccc21,ClCCl,445.0
7214,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(c4ccc(OC)cc4)=C3)ccc21,C1CCOC1,440.0
7214,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(c4ccc(OC)cc4)=C3)ccc21,CC(C)=O,442.0
7214,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(c4ccc(OC)cc4)=C3)ccc21,CO,441.0
7214,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(c4ccc(OC)cc4)=C3)ccc21,Cc1ccccc1,440.0
7214,CCn1c2ccccc2c2cc(C3=[O+][B-](F)(F)OC(c4ccc(OC)cc4)=C3)ccc21,ClC(Cl)Cl,443.0
3674,CCCCCCCCOc1nc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc(-c2ccc3c4ccccc4n(CC)c3c2)c1C#N,ClCCl,409.0
13717,O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C2/C=CC(=N2)/C=4c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,605.0
2633,CCCCC(CC)COc1c(OCC(CC)CCCC)c2c3sc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)c5nsnc45)cc3sc2c2sc3cc(/C=C(/C#N)C(=O)O)sc3c12,C1CCOC1,494.0
6148,CCN(CC)c1ccc2c(c1)OC1=[N+](c3ccc(I)cc3)[B-](F)(F)n3c(nc4ccccc43)C1=C2,ClCCl,496.0
3194,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c3ccccc3c(C#Cc3ccc(N(CCCCCCCC)CCCCCCCC)cc3)c3ccccc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(-c2ccc(C(=O)O)cc2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,709.0
12528,N#C/C(=C\c1ccc(C#Cc2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)s3)c3ccccc23)s1)C(=O)O,CCO,469.0
4236,CCCCCCOc1ccc(-c2cc3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)cc4c3n2-c2ccccc2S4)cc1,ClCCl,418.0
2970,CCCCCCCCC(CCCCCC)Cn1c2cc(C#Cc3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)c3cccc4c5cccc6c(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc1c(c65)c2c34,C1CCOC1,550.0
2941,CCCCCCC1CC(C)(CCCCCC)N(C)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc21,ClCCl,535.0
10091,C[C@H]1CC(C)(C)N(C)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,CCO,441.0
2178,CC1CC(C)(C)N(C)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc21,CCO,441.0
11649,Cc1csc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,ClCCl,445.0
11649,Cc1csc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,C1CCOC1,476.0
11649,Cc1csc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CC#N,470.0
11649,Cc1csc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CCCCCC,477.0
11649,Cc1csc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,Cc1ccccc1,479.0
5466,CCCCOc1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc1Cc1cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc(c1OCCCC)Cc1cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc(c1OCCCC)Cc1cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc(c1OCCCC)C2,ClC(Cl)Cl,396.0
12721,N#CC(=Cc1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1)C(=O)O,CN(C)C=O,396.0
14323,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccco2)s1,C1CCOC1,467.0
14323,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccco2)s1,CC#N,468.0
14323,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccco2)s1,CCCCCC,435.0
14323,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccco2)s1,CS(C)=O,486.0
14323,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccco2)s1,Cc1ccccc1,461.0
14323,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccco2)s1,ClCCl,476.0
3516,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4cc6c(cc4C5(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)-c4sc(-c5ccc(-c7ccc(C(=O)O)cc7)c7nsnc57)cc4C6(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(COCCCCCCC)c1,Cc1ccccc1,519.0
3517,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4cc6c(cc4C5(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)-c4sc(-c5ccc(-c7ccc(C(=O)O)cc7)c7nsnc57)cc4C6(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(OCCCCCCCC)c1,Cc1ccccc1,519.0
3512,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4cc6c(cc4C5(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)-c4sc(-c5c(F)c(F)c(-c7ccc(C(=O)O)cc7)c7nsnc57)cc4C6(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(COCCCCCCC)c1,Cc1ccccc1,503.0
3513,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4cc6c(cc4C5(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)-c4sc(-c5c(F)c(F)c(-c7ccc(C(=O)O)cc7)c7nsnc57)cc4C6(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(OCCCCCCCC)c1,Cc1ccccc1,503.0
15071,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)n2)cc1,Cc1ccccc1,370.0
15154,c1ccc(-n2c(-c3cccc4ccccc34)nc3c4cccc5ccc6cccc(c6c54)c32)cc1,C1CCOC1,352.9859719
15154,c1ccc(-n2c(-c3cccc4ccccc34)nc3c4cccc5ccc6cccc(c6c54)c32)cc1,Cc1ccccc1,380.0
11636,Cc1cn(CCCn2cc(C)c(=O)[nH]c2=O)c(=O)nc1-n1cncn1,O,325.0
1837,CC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccc(-c6ccc(C=C7C(=O)c8ccc(C(=O)O)cc8C7=O)s6)s5)cc4C4CCCC43)cc21,ClC(Cl)Cl,605.0
4156,CCCCCCOc1c(OCCCCCC)c(-c2cc(CCCCCC)c(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s1,ClC(Cl)Cl,513.0
4156,CCCCCCOc1c(OCCCCCC)c(-c2cc(CCCCCC)c(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s1,ClCCl,513.0
4157,CCCCCCOc1c(OCCCCCC)c(-c2cc(CCCCCC)c(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s1,ClC(Cl)Cl,516.0
4157,CCCCCCOc1c(OCCCCCC)c(-c2cc(CCCCCC)c(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s1,ClCCl,516.0
4158,CCCCCCOc1c(OCCCCCC)c(-c2cc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s1,ClC(Cl)Cl,504.0
4158,CCCCCCOc1c(OCCCCCC)c(-c2cc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s1,ClCCl,504.0
14044,O=C1c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,C1CCOC1,513.0
14044,O=C1c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN(C)C=O,495.0
14044,O=C1c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN1CCCC1=O,487.0
9719,COc1ccc2c(c1)Sc1cc(OC)ccc1N2c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,CC#N,411.0
2102,CC1=CC(C)N2C1=C(c1ccc(Nc3nc(Nc4ccc(C5=C6C(C)=CC(C)N6[B-](F)(F)[N+]6=C5C(C)=CC6C)cc4)nc(Nc4ccc(-c5c6nc(c(-c7cc(C)c(C)cc7C)c7ccc([nH]7)c(-c7ccc(C(=O)O)cc7)c7nc(c(-c8c(C)cc(C)cc8C)c8ccc5[nH]8)C=C7)C=C6)cc4)n3)cc1)C1=[N+](C(C)C=C1C)[B-]2(F)F,C1CCOC1,420.0
10274,Cc1c(-c2ccc(/C=C/c3ccc(/C=C(/C#N)C(=O)O)s3)s2)c(=O)oc2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12,CCO,450.0
13715,O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C2/C=CC(=N2)/C=4c2ccc(C(=O)O)cc2)cc1,C1CCOC1,601.0
13765,O=C(O)c1cccc(/C2=C3\C=CC(=N3)/C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C2/C=CC(=N2)/C=4c2cccc(C(O)O)c2)c1,C1CCOC1,602.0
1065,CC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,356.0
3533,CCCCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OCCCCCCCC)cc4)cc4c2n3-c2ccc(-c3ccc(-c5ccc(C(=O)O)cc5)c5nsnc35)cc2C4(C)C)cc1,ClC(Cl)Cl,449.0
13012,N#Cc1c(N2CCCCC2)cc(-c2ccccc2)c2c1-c1ccccc1C2=O,C1CCOC1,392.0
4227,CCCCCCOc1ccc(-c2c3c4cc(-c5ccc(-c6ccc(C#Cc7ccc(C(=O)O)cc7)c7nsnc67)s5)ccc4n(CCCCCC)c3c(-c3ccc(OCCCCCC)c(OCCCCCC)c3)c3c4ccccc4n(CCCCCC)c23)cc1OCCCCCC,ClCCl,528.0
5984,CCN(CC)c1ccc(/C=C2\CCCc3c2[o+]c2cc(N(CC)CC)ccc2c3-c2ccccc2C(=O)O)c(O)c1,CO,699.0
5985,CCN(CC)c1ccc(/C=C2\CCCc3c2[o+]c2cc(N(CC)CC)ccc2c3-c2ccccc2C(=O)O)cc1,CO,663.0
6072,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1ccc(N(C)C)cc1)CCC3,ClCCl,689.0
6075,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1ccc(O)c(Cl)c1)CCC3,CO,577.0
6076,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1ccc(O)cc1)CCC3,CO,570.0
12307,N#C/C(=C/c1ccc2c(c1)CC(c1ccc(N(c3ccccc3)c3cccc4ccccc34)cc1)=C2)C(=O)O,C1CCOC1,437.0
14986,c1ccc(-c2ccc(-c3ccc4c(c3)CCO4)cc2)cc1,C1CCCCC1,289.0
1010,CC(C)(C)c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc(C(C)(C)C)cc5)c(C(=O)NCc5ccccc5)s4)s3)sc2C(=O)NCc2ccccc2)cc1,ClCCl,394.0
6016,CCN(CC)c1ccc(C=C(C#N)c2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)s2)cc1,CN(C)C=O,460.0
14846,c1cc2c3c(c1)-c1ccc4c5c(ccc(c15)B3c1ccc3c5c(ccc-2c15)CC3)CC4,Cc1ccccc1,495.0
3035,CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C(c3ccc(-c4cccc(C)c4-c4ccc5ccccc5n4)s3)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1c1cccs1,ClCCl,560.0
3037,CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C(c3cccs3)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1c1cccs1,ClCCl,530.0
6856,CCOC(CN1C(=O)C2=C(c3cccs3)N(CC(OCC)OCC)C(=O)C2=C1c1cccs1)OCC,ClC(Cl)Cl,533.0
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,C1CCOC1,343.997248
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,CC#N,342.9943406
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,CCC#N,342.9943406
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,CCCC#N,343.997248
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,CCCCCC,341.997264
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,CCCO,342.9943406
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,CCO,342.9943406
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,CO,342.9943406
14950,c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccn2)nc1,Cc1ccccc1,342.9943406
14098,O=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=O)C1,C1COCCO1,356.0
14098,O=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=O)C1,CCO,360.0
14098,O=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=O)C1,CN(C)C=O,364.0
14098,O=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=O)C1,CS(C)=O,364.0
14098,O=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=O)C1,Cc1ccccc1,359.0
14098,O=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=O)C1,ClC(Cl)Cl,364.0
14098,O=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=O)C1,ClCCCl,366.0
14098,O=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=O)C1,ClCCl,364.0
6522,CCOC(=O)/C=C/C1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(/C=C/C(=O)OCC)C1,ClC(Cl)Cl,384.0
12839,N#CC(C#N)=CC1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(C=C(C#N)C#N)C1,ClC(Cl)Cl,467.0
9172,COc1ccc(-c2oc(-c3ccc(OC)cc3)c3c2C=C(C=O)CC(C=O)=C3)cc1,ClC(Cl)Cl,385.0
4315,CCCCCCOc1ccc(C#Cc2ccc(C#CC#Cc3ccc(C#Cc4ccc(OCCCCCC)c(OCCCCCC)c4)c4nsnc34)c3nsnc23)cc1OCCCCCC,CN(C)C=O,468.0
4315,CCCCCCOc1ccc(C#Cc2ccc(C#CC#Cc3ccc(C#Cc4ccc(OCCCCCC)c(OCCCCCC)c4)c4nsnc34)c3nsnc23)cc1OCCCCCC,COc1ccccc1,472.0
4315,CCCCCCOc1ccc(C#Cc2ccc(C#CC#Cc3ccc(C#Cc4ccc(OCCCCCC)c(OCCCCCC)c4)c4nsnc34)c3nsnc23)cc1OCCCCCC,Cc1ccccc1,470.0
4315,CCCCCCOc1ccc(C#Cc2ccc(C#CC#Cc3ccc(C#Cc4ccc(OCCCCCC)c(OCCCCCC)c4)c4nsnc34)c3nsnc23)cc1OCCCCCC,ClC(Cl)Cl,472.0
4315,CCCCCCOc1ccc(C#Cc2ccc(C#CC#Cc3ccc(C#Cc4ccc(OCCCCCC)c(OCCCCCC)c4)c4nsnc34)c3nsnc23)cc1OCCCCCC,ClCCCl,471.0
4315,CCCCCCOc1ccc(C#Cc2ccc(C#CC#Cc3ccc(C#Cc4ccc(OCCCCCC)c(OCCCCCC)c4)c4nsnc34)c3nsnc23)cc1OCCCCCC,ClCCl,469.0
5062,CCCCCCn1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,422.0
3358,CCCCCCCCN(c1ccccc1)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1,C1CCOC1,482.0
1868,CC1(C)c2ccccc2N(c2ccc(-c3nc([C@]45CC6CC(C[C@@H](C6)C4)C5)nc([C@]45C[C@@H]6C[C@H](C[C@H](C6)C4)C5)n3)cc2)c2ccccc21,Cc1ccccc1,367.8010471
8861,COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3)C3(C(C#N)=C(C#N)N1CC2)c1cc(Br)ccc1-c1ccc(Br)cc13,ClCCl,311.0
8863,COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3)C3(C(C#N)=C(C#N)N1CC2)c1ccccc1-c1ccccc13,ClCCl,310.0
8862,COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3)C3(C(C#N)=C(C#N)N1CC2)c1cc(Cl)ccc1-c1ccc(Cl)cc13,ClCCl,310.0
8859,COc1cc2c(cc1OC)C1=C[C@H](c3ccc(Cl)cc3)C3(C(C#N)=C(C#N)N1CC2)c1cc(Cl)ccc1-c1ccc(Cl)cc13,ClCCl,314.0
8181,COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3c(C(=O)OC)cccc32)[C@@H](c2ccc(Cl)cc2)C=C2c3cc(OC)c(OC)cc3CCN21,ClCCl,311.0
8860,COc1cc2c(cc1OC)C1=C[C@H](c3ccc(Cl)cc3)C3(C(C#N)=C(C#N)N1CC2)c1ccccc1-c1ccccc13,ClCCl,314.0
8183,COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3ccccc32)[C@@H](c2ccc(C)cc2)C=C2c3cc(OC)c(OC)cc3CCN21,ClCCl,311.0
8184,COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3ccccc32)[C@@H](c2ccc([N+](=O)[O-])cc2)C=C2c3cc(OC)c(OC)cc3CCN21,ClCCl,310.0
8185,COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3ccccc32)[C@@H](c2ccccc2)C=C2c3cc(OC)c(OC)cc3CCN21,ClCCl,311.0
6546,CCOC(=O)C1=C(C(=O)OC)N2CCc3cc(OC)c(OC)cc3C2=C[C@H](c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12,ClCCl,310.0
8855,COc1cc2c(cc1OC)C1=C[C@H](c3ccc(C)cc3)C3(C(C#N)=C(C#N)N1CC2)c1cc(Br)ccc1-c1ccc(Br)cc13,ClCCl,315.0
8856,COc1cc2c(cc1OC)C1=C[C@H](c3ccc(C)cc3)C3(C(C#N)=C(C#N)N1CC2)c1cc(Cl)ccc1-c1ccc(Cl)cc13,ClCCl,315.0
6549,CCOC(=O)C1=C(C(=O)OCC)C2(c3ccccc3-c3ccccc32)[C@@H](c2ccc(Cl)cc2)C=C2c3cc(OC)c(OC)cc3CCN21,ClCCl,311.0
6550,CCOC(=O)C1=C(C(=O)OCC)C2(c3ccccc3-c3ccccc32)[C@@H](c2ccc([N+](=O)[O-])cc2)C=C2c3cc(OC)c(OC)cc3CCN21,ClCCl,310.0
6551,CCOC(=O)C1=C(C(=O)OCC)C2(c3ccccc3-c3ccccc32)[C@@H](c2ccccc2)C=C2c3cc(OC)c(OC)cc3CCN21,ClCCl,311.0
8857,COc1cc2c(cc1OC)C1=C[C@H](c3ccc(C)cc3)C3(C(C#N)=C(C#N)N1CC2)c1ccccc1-c1ccccc13,ClCCl,317.0
8858,COc1cc2c(cc1OC)C1=C[C@H](c3ccc(Cl)cc3)C3(C(C#N)=C(C#N)N1CC2)c1cc(Br)ccc1-c1ccc(Br)cc13,ClCCl,314.0
8631,COc1c2ccccc2c(OC)c2c(C#Cc3ccccc3)c3cc4sccc4cc3c(C#Cc3ccccc3)c12,ClCCl,656.0
9326,COc1ccc(C#Cc2c3cc4ccccc4cc3c(C#Cc3ccc(OC)cc3)c3cc4sc(C)cc4cc23)cc1,ClCCl,615.0
4568,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(C4=C([O-])/C(=C\c5ccc6cc(/C=C/C(=O)O)ccc6[n+]5C)C4=O)c4c3OCCO4)cc2)cc1,CCO,686.0
4569,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(C4=C([O-])/C(=C\c5ccc6cc(C(=O)O)ccc6[n+]5C)C4=O)c4c3OCCO4)cc2)cc1,CCO,673.0
5029,CCCCCCn1c2c(c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc31)-c1c(c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3n1CCCCCC)-c1c(c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3n1CCCCCC)-c1c-2c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2n1CCCCCC,ClCCl,340.0
746,CC(C)(C(=O)c1ccc(N2c3ccccc3Oc3ccccc32)cc1)C(=O)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,416.0
462,C1=Cc2ccccc2N2C=Cc3cc4ccccc4cc3B12,ClCCl,390.0
2050,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CC#N,503.0
2050,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,505.0
2050,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CCO,504.0
2050,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,CN(C)C=O,507.0
2050,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,Cc1ccccc1,509.0
2050,CC1=CC(C)=[N+]2C1=C(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,507.0
12127,F[B-]1(F)n2cccc2C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C2C=CC=[N+]21,CC#N,502.0
12127,F[B-]1(F)n2cccc2C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C2C=CC=[N+]21,CCCCCC,509.0
12127,F[B-]1(F)n2cccc2C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C2C=CC=[N+]21,CCO,504.0
12127,F[B-]1(F)n2cccc2C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C2C=CC=[N+]21,CN(C)C=O,506.0
12127,F[B-]1(F)n2cccc2C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C2C=CC=[N+]21,Cc1ccccc1,509.0
12127,F[B-]1(F)n2cccc2C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C2C=CC=[N+]21,ClCCl,506.0
2432,CCC1=C(C)C2=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,528.0
2432,CCC1=C(C)C2=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCC,531.0
2432,CCC1=C(C)C2=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCO,529.0
2432,CCC1=C(C)C2=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,530.0
2432,CCC1=C(C)C2=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,534.0
2432,CCC1=C(C)C2=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,532.0
2134,CC1=[N+]2C(=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,514.0
2134,CC1=[N+]2C(=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CCCCCC,516.0
2134,CC1=[N+]2C(=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CCO,516.0
2134,CC1=[N+]2C(=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CN(C)C=O,517.0
2134,CC1=[N+]2C(=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,519.0
2134,CC1=[N+]2C(=C(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,ClCCl,518.0
2752,CCCCC(CC)Cn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(C=C(C#N)C(=O)O)o3)c2n1,ClCCl,450.0
3882,CCCCCCCCn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(C=C(C#N)C(=O)O)o3)c2n1,ClCCl,458.0
1097,CC(C)(C)c1ccc(C2=Cc3cc4c(cc3P2(=O)c2ccccc2)C=C(c2ccc(C(C)(C)C)cc2)P4(=O)c2ccccc2)cc1,C1CCOC1,433.0
12816,N#CC(=Cc1sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c1OC(COCCCCCCCCOCC1COc3c(C=C(C#N)C(=O)O)sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3O1)CO2)C(=O)O,ClC(Cl)Cl,494.0
12616,N#C/C(=C\c1sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c1O[C@@H](COCCCCCCCCOC[C@H]1COc3c(/C=C(\C#N)C(=O)O)sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3O1)CO2)C(=O)O,ClC(Cl)Cl,494.0
4516,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)n4CCCCCC)s3)cc2)cc1,ClCCl,512.0
4511,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(/C(C#N)=C/c4ccc(/C=C(\C#N)C(=O)O)n4CCCCCC)s3)cc2)cc1,ClCCl,534.0
14317,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,CC#N,459.0
14317,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,CCCCCC,433.0
14317,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,CS(C)=O,472.0
14317,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,Cc1ccccc1,452.0
14317,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,ClCCl,466.0
14317,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,C1CCOC1,457.0
11550,Cc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1,C1CCCCC1,306.0
11550,Cc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1,C1CCOC1,311.0
11550,Cc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1,CC#N,314.0
11550,Cc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1,CCOCC,306.0
8381,COC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,C1CCCCC1,318.0
8381,COC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,C1CCOC1,324.0
8381,COC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,CC#N,326.0
8381,COC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,CCOCC,319.0
698,CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,C1CCCCC1,321.0
698,CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,C1CCOC1,328.0
698,CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,CC#N,331.0
698,CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,CCOCC,323.0
11356,Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,C1CCCCC1,306.0
11356,Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,C1CCOC1,311.0
11356,Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,CC#N,312.0
11356,Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,CCOCC,307.0
7540,CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,C1CCCCC1,309.0
7540,CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,C1CCOC1,315.0
7540,CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,CC#N,317.0
7540,CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,CCOCC,310.0
7541,CN(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,C1CCCCC1,307.0
7541,CN(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,C1CCOC1,311.0
7541,CN(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,CC#N,314.0
7541,CN(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,CCOCC,307.0
7542,CN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,C1CCCCC1,337.0
7542,CN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,C1CCOC1,353.0
7542,CN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CC#N,354.0
7542,CN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CCOCC,345.0
7544,CN(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1,C1CCCCC1,310.0
7544,CN(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1,C1CCOC1,317.0
7544,CN(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1,CC#N,318.0
7544,CN(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1,CCOCC,312.0
7545,CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,C1CCCCC1,310.0
7545,CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,C1CCOC1,314.0
7545,CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,CC#N,318.0
7545,CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,CCOCC,311.0
7546,CN(C)c1ccc(C(=O)Nc2ccccc2)cc1,C1CCCCC1,307.0
7546,CN(C)c1ccc(C(=O)Nc2ccccc2)cc1,C1CCOC1,311.0
7546,CN(C)c1ccc(C(=O)Nc2ccccc2)cc1,CC#N,314.0
7546,CN(C)c1ccc(C(=O)Nc2ccccc2)cc1,CCOCC,307.0
14498,O=c1cc(-c2ccccc2)oc(-c2nc3ccccn3c2NC2CCCCC2)c1,ClCCl,353.0
147,C(#Cc1ccccc1)C(C#Cc1ccccc1)=Cc1ccc(-c2ccc(C=C(C#Cc3ccccc3)C#Cc3ccccc3)cc2)cc1,ClC(Cl)Cl,394.0
1615,CC1(C)C2=C(Cl)C(=O)C(Cl)=CC2=Nc2ccc(O)cc21,O,653.0
1757,CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)cc5)c5ccc(-c6sc(C=C(C#N)C(=O)O)c7c6OCCO7)cc5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21,ClCCl,479.0
4018,CCCCCCN1c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2Sc2cc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)ccc21,ClCCl,634.0
5459,CCCCOc1c(C=C2C=Cc3ccccc3N2C)c(=O)c1=O,CCO,465.0
11707,Cc1nnc(-c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2-c2nnc(C)o2)o1,ClCCl,353.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CCCCCC,334.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CCOC(C)=O,335.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CN(C)C=O,343.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CO,338.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CS(C)=O,344.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,ClC(Cl)Cl,341.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,C1CCOC1,339.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CC#N,338.0
8969,COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CC(C)=O,340.0
7812,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cc1,CS(C)=O,429.0
7813,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1,CS(C)=O,431.0
7811,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1,CS(C)=O,428.0
2646,CCCCC(CC)COc1ccc(-c2c3cccc4c(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc5c(-c6ccc(OCC(CC)CCCC)cc6)c6cccc7c(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc2c(c76)c5c43)cc1,C1CCOC1,464.0
1772,CC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc21,ClCCl,350.0
1041,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1,ClCCl,332.0
443,C1=Cc2c(ccc3ccccc23)NB1c1ccccc1,C1CCCCC1,356.0
5757,CCCCn1c2ccccc2c2cc(-c3cc(/C=C(/C#N)C(=O)O)c(-c4cc5cc6c7c(c5oc4=O)C(C)(C)CCN7CCC6(C)C)s3)ccc21,ClC(Cl)Cl,507.0
1211,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)s3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)=C2/C=CC(=N2)/C=4c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)s2)s1,ClCCl,597.0
1474,CC(C)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,CC#N,380.0
11964,FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n3ccccc23)cc1,ClC(Cl)Cl,325.0
8654,COc1cc(-c2nc(-c3ccccc3)c3ccccn23)ccc1O,CC#N,380.0
9957,COc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,C1CCCCC1,303.0
9957,COc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,CC#N,374.0
9957,COc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,CO,298.0
9957,COc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,Cl,481.0
9957,COc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,ClCCl,374.0
9957,COc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,O,330.0
13776,O=C(O)c1ccccc1-c1nc(-c2ccccc2)c2ccccn12,CC#N,357.0
15050,c1ccc(-c2nc(-c3ccccc3)n3ccccc23)cc1,C1CCCCC1,302.0
15050,c1ccc(-c2nc(-c3ccccc3)n3ccccc23)cc1,CC#N,305.0
15050,c1ccc(-c2nc(-c3ccccc3)n3ccccc23)cc1,CO,304.5
15050,c1ccc(-c2nc(-c3ccccc3)n3ccccc23)cc1,ClC(Cl)Cl,308.0
15050,c1ccc(-c2nc(-c3ccccc3)n3ccccc23)cc1,ClCCl,385.0
15050,c1ccc(-c2nc(-c3ccccc3)n3ccccc23)cc1,O,305.0
13097,N#Cc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,C1CCCCC1,377.0
13097,N#Cc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,CO,372.0
13097,N#Cc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,ClCCl,380.0
13097,N#Cc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,O,430.0
14689,Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,C1CCCCC1,340.0
14689,Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,CC#N,343.0
14689,Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,CO,299.0
14689,Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,ClCCl,345.0
14689,Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,O,299.0
7357,CN(C)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,C1CCCCC1,315.0
7357,CN(C)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,CC#N,345.0
7357,CN(C)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,CO,315.0
7357,CN(C)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,ClCCl,372.0
7357,CN(C)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,O,341.0
7358,CN(C)c1ccc(-c2nc(-c3ccccc3)n3ccccc23)cc1,ClC(Cl)Cl,314.0
9113,COc1ccc(-c2nc(-c3ccc(C)cc3)c3ccccn23)cc1,ClC(Cl)Cl,303.0
9115,COc1ccc(-c2nc(-c3ccc(OC)cc3)n3ccccc23)cc1,ClC(Cl)Cl,303.0
13708,O=C(O)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1,CC#N,372.0
1398,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(nc12)Cc1ccccc1-3)(C(C)C)C(C)C,CCCCCC,578.0
6417,CCN1c2cc3[o+]c(-c4ccccc4)cc(/C=C/C=C4\N(CCCCCC(=O)O)c5ccc(S(=O)(=O)[O-])cc5C4(C)C)c3cc2C(C)=CC1(C)C,CCO,675.0
6418,CCN1c2cc3[o+]c(-c4ccccc4)cc(/C=C/C=C4\N(CCCS(=O)(=O)[O-])c5ccc(S(=O)(=O)[O-])cc5C4(C)CCCC(=O)O)c3cc2C(C)=CC1(C)C,CCO,675.0
1921,CC1(CCCC(=O)O)/C(=C/C=C/c2cc(-c3ccccc3)[o+]c3cc4c(cc23)C(CS(=O)(=O)[O-])=CC(C)(C)N4CCCS(=O)(=O)[O-])N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21,CCO,674.0
2007,CC1=CC(C)(C)N(CCCS(=O)(=O)[O-])c2cc3[o+]c(-c4ccccc4)cc(/C=C/C=C4\N(CCCS(=O)(=O)[O-])c5ccc(S(=O)(=O)[O-])cc5C4(C)CCCC(=O)O)c3cc21,CCO,674.0
7959,CN1C(=CC2=C([O-])C(=Cc3oc(-c4ccc(-c5ccccc5)cc4)c[n+]3C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,606.0
1673,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4ccc(C(=O)O)cc4)cc2)c(=O)oc31,CC#N,420.0
5168,CCCCCOc1cc2oc(=O)c3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,476.0
5167,CCCCCOc1cc2oc(=O)c3c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,487.0
12014,F[B-]1(F)N2C=C(n3cc(-c4ccccc4)nn3)C=CC2=N/[N+]1=C/c1ccc(-c2cccs2)cc1,CO,491.0
3415,CCCCCCCCN1C(=O)c2ccc3c4c(N5CCCCC5)cc5c6c(ccc(c7c(N8CCCCC8)cc(c2c37)C1=O)c64)C(=O)OC5=O,ClCCl,692.0
14997,c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1,Cc1ccccc1,362.0
2945,CCCCCCCC(CCCCCCC)C1c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4cc5c(s4)-c4sccc4C5(C)C)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc21,ClCCl,579.0
3029,CCCCCCCCC1(CCCCCCCC)c2ccsc2-c2sc(-c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5(C)C)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc21,ClCCl,581.0
3030,CCCCCCCCC1(CCCCCCCC)c2ccsc2-c2sc(-c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5C(CCCCCCC)CCCCCCC)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc21,ClCCl,569.0
933,CC(C)(C)c1cc(/C2=c3\cc/c4n3[Zn]N3C(C=CC3/C(c3ccc(C(=O)O)cc3)=C3/C=CC(=N3)/N=4)/N=C3/C=CC2=N3)cc(C(C)(C)C)c1,CN(C)C=O,685.0
12776,N#CC(=Cc1ccc(N(c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2)c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2)cc1)C(=O)O,ClCCl,401.0
3021,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3nnc(-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)o3)cc21,Cc1ccccc1,352.0
3868,CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4cccc5c4C4C6CCC(C6)C4N5c4ccccc4)s3)c2n1,ClCCl,630.0
3878,CCCCCCCCn1nc2c(-c3ccc(C(=O)O)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4cccc5c4C4C6CCC(C6)C4N5c4ccccc4)s3)c2n1,ClCCl,617.0
3150,CCCCCCCCCCCCN1c2ccccc2Sc2cc(-c3ccc(-c4ccc5c(c4)Sc4cc(/C=C(\C#N)C(=O)O)ccc4N5CCCCCCCCCCCC)c4nsnc34)ccc21,CCO,486.0
3144,CCCCCCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(-c4ccc5c(c4)Sc4cc(/C=C(\C#N)C(=O)O)ccc4N5CCCCCCCCCCCC)c4nsnc34)ccc21,CN(C)C=O,471.0
6505,CCOC(=O)/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)n1nc2ccccc2n1,CO,398.0
1505,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(Oc4ccc(C(C)(C)C)cc4)ccc(c23)C1=O,ClCCl,364.0
1507,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(Oc4ccc(Cl)cc4)ccc(c23)C1=O,ClCCl,360.0
1508,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(Oc4ccccc4)ccc(c23)C1=O,ClCCl,364.0
8385,COC(=O)c1ccc(Oc2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)cc1,ClCCl,359.0
9666,COc1ccc(Oc2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)cc1,ClCCl,364.0
6184,CCN(CC)c1ccc2cc(-c3ccc(-c4ccc5c6ccccc6c6c7cc(-c8ccc(-c9cc%10ccc(N(CC)CC)cc%10oc9=O)cc8)ccc7c7ccccc7c6c5c4)cc3)c(=O)oc2c1,ClC(Cl)Cl,412.0
5430,CCCCNc1nc(/C=C/c2ccccc2)[n+]([O-])c2c1CCCC2,ClCCl,415.0
11698,Cc1nn(-c2ccccc2)c2c1c(=O)oc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12,Cc1ccccc1,342.0
13107,N#Cc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(C#N)c6ccccc56)cc4)cc3)nc3c4ccccc4c4ccccc4c32)c2ccccc12,ClCCl,340.0
7433,CN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1,CC#N,379.0
7433,CN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1,CCO,379.0
7433,CN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1,ClCCl,381.0
7433,CN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1,C1CCOC1,375.0
7433,CN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1,C1COCCO1,369.0
13224,N#Cc1nc2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3c2nc1C#N,Cc1ccccc1,460.0
3897,CCCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCCC)c4ccccc4C3(C)C)C2=C(C#N)C#N)Sc2ccccc21,CCO,681.0
3897,CCCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCCC)c4ccccc4C3(C)C)C2=C(C#N)C#N)Sc2ccccc21,CN(C)C=O,681.0
3897,CCCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCCC)c4ccccc4C3(C)C)C2=C(C#N)C#N)Sc2ccccc21,ClC(Cl)Cl,690.0
3897,CCCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCCC)c4ccccc4C3(C)C)C2=C(C#N)C#N)Sc2ccccc21,C1COCCO1,694.0
4228,CCCCCCOc1ccc(-c2c3c4cc(-c5ccc(C#Cc6ccc(C(=O)O)cc6)c6nsnc56)ccc4n(CCCCCC)c3c(-c3ccc(OCCCCCC)c(OCCCCCC)c3)c3c4ccccc4n(CCCCCC)c23)cc1OCCCCCC,ClCCl,492.0
14742,[C-]#[N+]/C(=C/c1ccc(N(c2ccc(Br)cc2)c2ccc(-c3nc4c(-c5cccc(OC)c5)ccc(-c5cccc(OC)c5)c4[nH]3)cc2)cc1)C(=O)O,Cc1ccccc1,433.0
5659,CCCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c21,C1CCOC1,365.0
11229,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(C#N)nc4)c4nsnc34)cc2)cc1,ClCCl,473.0
5317,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1,ClCCl,627.0
5696,CCCCn1c2cc(-c3ccc(C4=C5C=CC(c6ccc(-c7ccncc7)s6)=[N+]5[B-](F)(F)n5c4ccc5-c4ccc(-c5ccncc5)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,673.0
1703,CC1(C)OB(c2cc3ccc4cc(B5OC(C)(C)C(C)(C)O5)cc5ccc(c2)c3c45)OC1(C)C,Cc1ccccc1,398.0
2509,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(-c6ccc(/C=C(/C#N)C(=O)O)s6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc21,C1CCOC1,423.0
2509,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(-c6ccc(/C=C(/C#N)C(=O)O)s6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc21,CC#N,413.0
2509,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(-c6ccc(/C=C(/C#N)C(=O)O)s6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc21,CN(C)C=O,424.0
2509,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(-c6ccc(/C=C(/C#N)C(=O)O)s6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc21,Cc1ccccc1,425.0
2509,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(-c6ccc(/C=C(/C#N)C(=O)O)s6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc21,ClC(Cl)Cl,424.0
2509,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(-c6ccc(/C=C(/C#N)C(=O)O)s6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc21,ClCCl,429.0
15214,c1ccc(C2=C(c3ccccc3)c3cccc4c5c(cc(c34)O2)=NC2CCCCC2N=5)cc1,ClCCl,431.0
15524,c1ccn(-c2ccc(-c3cc(-c4ccc(-n5cccc5)cc4)cc(-c4ccc(-n5cccc5)cc4)c3)cc2)c1,ClCCl,388.7195122
6007,CCN(CC)c1ccc(C(=C(c2ccc(Br)cc2)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)c2ccc(N(CC)CC)cc2)cc1,ClCCl,502.0
6008,CCN(CC)c1ccc(C(=C(c2ccc(Br)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc(N(CC)CC)cc2)cc1,ClCCl,502.0
392,C1=C(c2ccccc2)C(c2ccccc2)C(c2ccccc2)=C1,C1CCOC1,304.0
8514,COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C(\C#N)c3ccccn3)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C(\C#N)c2ccccn2)cc1,ClCCl,443.0
9815,COc1ccc2cc(/C=C/c3nc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)ccc2c1,ClCCl,424.0
11443,Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc(-c2ncccn2)cc1,Cc1ccccc1,379.0
4219,CCCCCCOc1cc(OCCCCCC)cc(-c2ccc(N3c4cc(-c5ccc(C6=C7C(=O)N(CC(CC)CCCC)C(c8ccc(-c9ccc(C=C(C#N)C(=O)O)o9)cc8)=C7C(=O)N6CC(CC)CCCC)s5)ccc4C4CCCC43)cc2)c1,C1CCOC1,600.0
5095,CCCCCCn1c2ccccc2c2cc(-c3ccc(-c4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc21,C1CCOC1,482.0
4240,CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(OCCCCCC)cc5OCCCCCC)ccn4c3/C=c3\s/c(=C4\SC(=S)N(CCCCCC)C4=O)n(CC(=O)O)c3=O)cc2)c(OCCCCCC)c1,ClCCl,597.0
10652,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2c(C)cc(C)cc2C)=C2\N=C(/C=4c3c(C)cc(C)cc3C)c3nc4cc(C(=O)O)c(C(=O)O)cc4nc32)c(C)c1,CO,627.0
10653,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2c(C)cc(C)cc2C)=C2\N=C(/C=4c3c(C)cc(C)cc3C)c3nc4ccc(C(=O)O)cc4nc32)c(C)c1,CO,621.0
2466,CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3/C=C(\C)[N+](=O)[O-],ClCCl,676.0
2468,CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3/C=C/[N+](=O)[O-],ClCCl,702.0
538,C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)OC)[C@@H]3C,ClCCl,667.0
2963,CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4ccc5c(c4)Sc4ccccc4N5CC(CC)CCCC)cc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,468.0
3276,CCCCCCCCCCCCn1cccc1/C=C/c1ccc(OCCCC)c2c(/C=C/c3cccn3CCCCCCCCCCCC)ccc(OCCCC)c12,Cc1ccccc1,375.0
12446,N#C/C(=C\c1ccc(-c2ccc(C#Cc3ccc(N4c5ccccc5C=Cc5ccccc54)cc3)c3nsnc23)s1)C(=O)O,ClCCl,474.0
1422,CC(C)[Si](C#Cc1c2ccccc2c(C#Cc2c3ccccc3c(C#Cc3c4ccccc4c(C#Cc4c5ccccc5c(C#Cc5c6ccccc6c(C#C[Si](C(C)C)(C(C)C)C(C)C)c6ccccc56)c5ccccc45)c4ccccc34)c3ccccc23)c2ccccc12)(C(C)C)C(C)C,Cc1ccccc1,585.0
10144,C[P+](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,430.0
5717,CCCCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2nc3ccccc3nc21,C1CCOC1,396.0
8294,COC(=O)c1cc(/C=C/c2ccc(F)cc2)n2ccc3ccccc3c12,ClCCl,365.0
8295,COC(=O)c1cc(/C=C/c2ccccc2)n2ccc3ccccc3c12,ClCCl,367.0
2891,CCCCCCC1(CCCCCC)c2cc(-c3ccc(C=C(C#N)C(=O)O)cc3)ccc2-c2ccc(N(c3ccc(CCCC)cc3)c3ccc(CCCC)cc3)cc21,ClCCl,441.0
1722,CC1(C)c2cc(-c3ccc(O)c(O)c3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,362.0
5614,CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc3c(c2)Cc2cc(-c4ccc(C=C(C#N)C(=O)O)cc4)ccc2-3)cc1,ClCCl,405.0
11677,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(N4CCN(C)CC4)cc2)[n+]3C)s1,CO,505.0
11677,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(N4CCN(C)CC4)cc2)[n+]3C)s1,ClC(Cl)Cl,545.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,C1COCCO1,602.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CC#N,597.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CC(C)=O,597.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CC(C)OC(C)C,594.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CC1CCCCC1,597.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCC#N,598.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCCC#N,600.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCCCO,601.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCCCOCCCC,596.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCOC(C)=O,596.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCOCC,593.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CN(C)C=O,607.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CO,596.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CS(C)=O,610.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,Cc1ccccc1,607.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,ClC(Cl)Cl,605.0
2070,CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(/C=C/c3ccc(N(C)C)cc3)n1[B-]2(F)F,CCOCC,591.0
2078,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccc(N(C)C)cc3)n1[B-]2(F)F,CCOCC,594.0
2079,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccc(O)cc3)n1[B-]2(F)F,O,565.0
2080,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccccc3)n1[B-]2(F)F,CC#N,560.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,C1CCCCC1,597.0
9426,COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,C1CCOC1,600.0
4028,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc21,C1CCOC1,441.0
1504,CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3cc4c(cc5ccc6c7c(ccc4c57)C(=O)N(c4c(C(C)C)cccc4C(C)C)C6=O)c4ccc(c2c34)C1=O,ClCCl,648.0
3244,CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccc(-c5cccs5)cc4C4C5CCC(C5)C43)cc2)sc1-c1cc2sc(/C=C(/C#N)C(=O)O)cc2s1,ClCCl,501.0
4443,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5c(s4)-c4sc(-c6ccc(C=C(C#N)C(=O)O)s6)cc4C5(CCCCCC)CCCCCC)s3)cc2)cc1,Clc1ccccc1,580.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,CCCCO,360.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,CCCO,361.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,CCO,360.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,CO,360.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,COCCOC,361.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,ClC(Cl)Cl,361.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,ClCCl,361.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,OCCO,361.0
7735,CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1,O,496.5
13668,O=C(O)c1c2ccccc2nc2ccccc12,C1CCOC1,360.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,C1COCCO1,362.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,CC#N,354.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,CCCCCO,370.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,CCCCO,370.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,CCCO,368.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,CCO,369.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,ClCCl,362.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,OCCO,356.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,CO,356.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,COCCOC,360.0
13668,O=C(O)c1c2ccccc2nc2ccccc12,ClC(Cl)Cl,362.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,C1CCOC1,361.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,C1COCCO1,361.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,CC#N,360.0
8293,COC(=O)c1c2ccccc2nc2ccccc12,CCCCCO,361.0
11942,FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccc4ccc5cccc6ccc3c4c56)C=C3c4cc(-c5ccc6ccc7cccc8ccc5c6c78)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc(c4c56)=C4C=C(c5ccc6ccc7cccc8ccc5c6c78)C(=N1)C2C34,C1CCOC1,524.0
11942,FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccc4ccc5cccc6ccc3c4c56)C=C3c4cc(-c5ccc6ccc7cccc8ccc5c6c78)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc(c4c56)=C4C=C(c5ccc6ccc7cccc8ccc5c6c78)C(=N1)C2C34,Cc1ccccc1,560.0
7160,CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3n(CC)c21,C1CCOC1,476.0
13605,O=C(O)CN1C(=O)/C(=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccc(/C=C6/SC(=S)N(CC(=O)O)C6=O)s5)cc4)cc3)s2)SC1=S,CCO,510.0
8327,COC(=O)c1cc2c3c([o+]c(-c4ccccc4)c(-c4ccccc4)c3c1)N1C(c3ccccc3)=C(c3ccccc3)c3ccccc3C1=C2c1ccccc1,ClCCl,534.0
15205,c1ccc(C2=C(c3ccccc3)N3C(=C(c4ccccc4)c4cccc5c(-c6ccccc6)c(-c6ccccc6)[o+]c3c45)c3ccccc32)cc1,ClCCl,501.0
11955,FC(F)(F)c1cc2c3c([o+]c(-c4ccccc4)c(-c4ccccc4)c3c1)N1C(c3ccccc3)=C(c3ccccc3)c3ccccc3C1=C2c1ccccc1,ClCCl,518.0
14119,O=Cc1cc2c3c([o+]c(-c4ccccc4)c(-c4ccccc4)c3c1)N1C(c3ccccc3)=C(c3ccccc3)c3ccccc3C1=C2c1ccccc1,ClCCl,548.0
9407,COc1ccc(C2=C(c3ccc(OC)cc3)N3C(=C(c4ccc(OC)cc4)c4cc([N+](=O)[O-])cc5c(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)[o+]c3c45)c3ccc(OC)cc32)cc1,ClCCl,587.0
9408,COc1ccc(C2=C(c3ccc(OC)cc3)N3C(=C(c4ccc(OC)cc4)c4cccc5c(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)[o+]c3c45)c3ccc(OC)cc32)cc1,ClCCl,492.0
14290,O=[N+]([O-])c1cc2c3c([o+]c(-c4ccccc4)c(-c4ccccc4)c3c1)N1C(c3ccccc3)=C(c3ccccc3)c3ccccc3C1=C2c1ccccc1,ClCCl,559.0
11772,Clc1ccc(C2=C(c3ccc(Cl)cc3)N3C(=C(c4ccc(Cl)cc4)c4cccc5c(-c6ccc(Cl)cc6)c(-c6ccc(Cl)cc6)[o+]c3c45)c3ccc(Cl)cc32)cc1,ClCCl,503.0
8866,COc1cc2c3c([o+]c(-c4ccccc4)c(-c4ccccc4)c3c1)N1C(c3ccccc3)=C(c3ccccc3)c3ccccc3C1=C2c1ccccc1,ClCCl,468.0
10690,Cc1cc(C)c(B(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,360.0
10268,C[n+]1ccnc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4c[n+](C)ccn4)cc3)cc2)c1,CS(C)=O,440.0
10268,C[n+]1ccnc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4c[n+](C)ccn4)cc3)cc2)c1,O,485.0
10268,C[n+]1ccnc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4c[n+](C)ccn4)cc3)cc2)c1,OCC(O)CO,500.0
3744,CCCCCCCCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(CCCCCCCC)s5)c5nsnc45)c4ccc5c(-c6ccc(-c7ccc(CCCCCCCC)s7)c7nsnc67)cc(-c6ccc(-c7ccc(CCCCCCCC)s7)c7nsnc67)c6ccc3c4c65)c3nsnc23)s1,ClC(Cl)Cl,452.0
14780,[NH2+]=c1ccc2c(-c3cccc(CN4CCOCC4)c3)c3c(cc4n3CCCCCC=C4)oc-2c1,O,535.0
14592,OCc1cc(/N=N\c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2F)ccc1O,CS(C)=O,386.0
14588,OCc1cc(/N=N/c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2F)ccc1O,CS(C)=O,408.0
1493,CC(C)c1cccc(C(C)C)c1N1B(c2ccc(B3N(c4c(C(C)C)cccc4C(C)C)C(c4ccc(C(F)(F)F)cc4)=C(c4ccc(C(F)(F)F)cc4)N3c3c(C(C)C)cccc3C(C)C)cc2)N(c2c(C(C)C)cccc2C(C)C)C(c2ccc(C(F)(F)F)cc2)=C1c1ccc(C(F)(F)F)cc1,C1CCOC1,439.0
14853,c1cc2c3c(c1)ccc1[n+]3[B-]3(Oc4cccc5ccc6[n+](c45)[B-](O2)(O3)n2c-6cc3c4ccccc4c4ccccc4c32)n2c-1cc1c3ccccc3c3ccccc3c12,ClCCl,472.0
4808,CCCCCCc1cc(-c2ncc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)c3nsnc23)sc1-c1ccc(C=c2sc(=C(C#N)C#N)[nH]c2=O)s1,ClCCl,582.0
12433,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N4c5ccccc5C=Cc5ccccc54)cc3)c3nsnc23)s1)C(=O)O,ClCCl,494.0
10919,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccco4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,423.0
9413,COc1ccc(C2=C(c3ccc(OC)cc3)c3cccc4c5c(cc(c34)O2)=NC(C#N)C(C#N)N=5)cc1,ClCCl,511.0
12903,N#CC1N=c2cc3c4c(cccc4c2=NC1C#N)C(c1ccccc1)=C(c1ccccc1)O3,ClCCl,501.0
458,C1=Cc2ccccc2C(=Cc2ccc(-c3ccc(C=C4c5ccccc5C=Cc5ccccc54)cc3)cc2)c2ccccc21,C1CCOC1,339.0
1238,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)s4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,418.0
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC#N,478.0000478
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC(C)=O,476.0000762
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC(C)O,486.0007484
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC1COC(=O)O1,478.0000478
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CCO,492.0000787
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CN(C)C=O,478.0000478
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CO,483.9989933
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CS(C)=O,479.0006131
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,ClC(Cl)Cl,494.0003656
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,O,457.0007952
7427,CN(C)c1ccc(/C=C/c2cc[n+](CCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,c1ccncc1,489.999118
13625,O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(-c4cc5ccc(B(O)O)c6ccc7cccc4c7c56)c4nsnc34)o2)SC1=S,C1CCOC1,394.0
13625,O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(-c4cc5ccc(B(O)O)c6ccc7cccc4c7c56)c4nsnc34)o2)SC1=S,CCO,394.0
1298,CC(C)(C)c1ccc2oc3nc4oc5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5c4cc3c2c1,ClC(Cl)Cl,348.0
15479,c1ccc2c(c1)oc1nc3oc4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3cc12,ClC(Cl)Cl,354.0
5513,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc3nc(/C=C(\C#N)C(=O)O)ncc3c2)cc1,ClC(Cl)Cl,438.0
12610,N#C/C(=C\c1ncc2cc(N(c3ccccc3)c3ccccc3)ccc2n1)C(=O)O,ClC(Cl)Cl,434.0
3663,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)=c2/cc/c3n2[Zn]n2c1cc1c2/C(=C2/C=CC(=N2)/C=3c2c(OCCCCCCCC)cccc2OCCCCCCCC)c2sc(-c3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)cc2C1(CCCC)CCCC,C1CCOC1,465.0
4542,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ncc(-c4sc(-c5cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s5)cc4CCCCCC)c4nsnc34)cc2)cc1,ClCCl,548.0
4544,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ncc(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4CCCCCC)c4nsnc34)cc2)cc1,ClCCl,554.0
14672,Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1,CC#N,334.0
14672,Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1,CO,333.0
14672,Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1,CS(C)=O,350.0
14672,Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1,Cc1ccccc1,337.0
3740,CCCCCCCCc1cc2c3cc(CCCCCCCC)sc3c3nc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c4nc3c2s1,ClC(Cl)Cl,586.0
2101,CC1=CC(C)=[N+]2C1C(c1ccc(O)c(O)c1)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,505.0
12797,N#CC(=Cc1ccc2c(c1)C1CCCC1N2c1ccc2c(c1)Cc1ccccc1-2)C(=O)O,CN(C)C=O,396.0
14264,O=S1(=O)c2ccccc2-c2c1c1ccccc1p2-c1ccccc1,C1CCCCC1,349.0
14264,O=S1(=O)c2ccccc2-c2c1c1ccccc1p2-c1ccccc1,CC#N,355.0
14264,O=S1(=O)c2ccccc2-c2c1c1ccccc1p2-c1ccccc1,CCO,356.0
14264,O=S1(=O)c2ccccc2-c2c1c1ccccc1p2-c1ccccc1,ClCCl,357.0
4730,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc5c(c4)c4c6c(c7ccccc7n6CC(CC)CCCC)c6c(c7ccccc7n6CC(CC)CCCC)c4n5CC(CC)CCCC)s3)c3nsnc23)sc1/C=C(\C#N)C(=O)O,ClCCl,531.0
9303,COc1ccc(/C=C/c2nc3cnccn3c2NC2CCCCC2)cc1,CS(C)=O,365.0
7462,CN(C)c1ccc(/C=C/c2nc3cnccn3c2NC2CCCCC2)cc1,CS(C)=O,407.0
12412,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccc(/C=C/c5ccccc5)cc4)c4ccc(/C=C/c5ccccc5)cc4)cc3)s2)s1)C(=O)O,C1CCOC1,477.0
4991,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc1C=C(C#N)c1ccc(-c2ccc(C=C(C#N)C(=O)O)s2)cc1,ClCCl,471.0
8630,COc1c2ccccc2c(OC)c2c(C#Cc3ccccc3)c3cc4ccccc4cc3c(C#Cc3ccccc3)c12,ClCCl,704.0
9325,COc1ccc(C#Cc2c3cc4ccccc4cc3c(C#Cc3ccc(OC)cc3)c3cc4ccccc4cc23)cc1,ClCCl,666.0
3545,CCCCCCCCOc1ccc(C#Cc2c3cc4ccccc4cc3c(C#Cc3ccc(F)cc3)c3cc4ccccc4cc23)cc1,ClCCl,664.0
2421,CCC1=C(C)C2=C(/C=C/c3ccc(OC)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,529.0
2423,CCC1=C(C)C2=C(/C=C/c3ccc([N+](=O)[O-])cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,532.0
1648,CC1(C)CC(/N=C/c2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1,C1CCCCC1,360.0
1648,CC1(C)CC(/N=C/c2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1,CC#N,358.0
1648,CC1(C)CC(/N=C/c2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1,CO,359.0
1648,CC1(C)CC(/N=C/c2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1,ClC(Cl)Cl,361.0
1649,CC1(C)CC(/N=C/c2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1[O],ClC(Cl)Cl,362.0
1649,CC1(C)CC(/N=C/c2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1[O],C1CCCCC1,360.0
1649,CC1(C)CC(/N=C/c2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1[O],CC#N,359.0
1649,CC1(C)CC(/N=C/c2ccc3ccc4cccc5ccc2c3c45)CC(C)(C)N1[O],CO,359.0
3403,CCCCCCCCN1C(=O)c2cc(N3CCCCC3)c3c4ccc5c6c(ccc(c7c(N8CCCCC8)cc(c2c37)C1=O)c64)C(=O)OC5=O,ClCCl,648.0
12703,N#CC(=Cc1ccc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)Cc2ccccc2-3)cc1)C(=O)O,CN(C)C=O,397.0
4081,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc4c(c3)c3ccccc3n4CCCCCC)ccc21,ClCCl,473.0
4110,CCCCCCN1c2ccc(C=C(C#N)C(=O)O)cc2Sc2cc(-c3ccc4c(c3)c3ccccc3n4CCCCCC)ccc21,ClCCl,470.0
12718,N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,546.0
12718,N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,ClCCl,535.0
11706,Cc1nnc(-c2cc(-c3nnc(C)o3)c(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3ccccc32)o1,Cc1ccccc1,359.0
3964,CCCCCCN1C(=O)C2=C(c3ccc(-c4ccc5c(c4)Sc4ccccc4N5CCCCCC)cc3)N(CCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1,ClCCl,500.0
12050,F[B-]1(F)Oc2ccc3ccccc3c2-c2c3c(c4c([n+]21)CCc1ccccc1-4)CCc1ccccc1-3,ClCCl,346.0
9628,COc1ccc(N2c3ccccc3Oc3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc32)cc1,ClCCl,508.0
11014,Cc1ccc(-n2c(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc3c4ccccc4c4ccccc4c32)cc1,Cc1ccccc1,344.0
642,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/C=C/c2ccccc2)=CC(/C=C/C=C/c2ccccc2)=[O+]1,CC#N,472.0
642,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/C=C/c2ccccc2)=CC(/C=C/C=C/c2ccccc2)=[O+]1,CC(C)=O,468.0
642,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/C=C/c2ccccc2)=CC(/C=C/C=C/c2ccccc2)=[O+]1,CS(C)=O,478.0
642,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/C=C/c2ccccc2)=CC(/C=C/C=C/c2ccccc2)=[O+]1,Cc1ccccc1,470.0
642,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/C=C/c2ccccc2)=CC(/C=C/C=C/c2ccccc2)=[O+]1,ClC(Cl)Cl,474.0
642,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/C=C/c2ccccc2)=CC(/C=C/C=C/c2ccccc2)=[O+]1,ClCCl,474.0
642,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/C=C/c2ccccc2)=CC(/C=C/C=C/c2ccccc2)=[O+]1,C1CCOC1,468.0
10273,Cc1c(-c2ccc(/C=C(\C#N)C(=O)O)s2)c(=O)oc2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12,CCO,429.0
771,CC(C)(C)C1=CC(=Cc2cnc(C=C(C#N)C(=O)O)s2)C=C(C(C)(C)C)O1,ClC(Cl)Cl,573.0
3299,CCCCCCCCCCOc1ccc2cc(C3=C4C(=O)N(CC(OCC)OCC)C(c5cc6ccc(OCCCCCCCCCC)cc6o5)=C4C(=O)N3CC(OCC)OCC)oc2c1,ClC(Cl)Cl,595.0
6854,CCOC(CN1C(=O)C2=C(c3cc4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)N(CC(OCC)OCC)C(=O)C2=C1c1cc2cc(C(C)(C)C)cc(C(C)(C)C)c2o1)OCC,ClC(Cl)Cl,580.0
6026,CCN(CC)c1ccc(C=Cc2ccc(/C=C/c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)s3)s2)cc1,C1CCOC1,513.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CCCO,577.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CCO,568.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CN(C)C=O,621.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CN(C)P(=O)(N(C)C)N(C)C,629.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CO,537.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CS(C)=O,619.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CC#N,617.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CC(C)=O,624.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CC(C)CO,576.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CC(C)O,585.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CCC#N,620.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CCCCCCO,584.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CCCCCO,588.0
8469,COC1=C/C(=C\C=C2C=CN(Cc3ccc(Br)cc3)C=C2)C=CC1=O,CCCCO,576.0
9722,COc1ccc2c(c1)[nH]c1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,CC#N,409.0
9722,COc1ccc2c(c1)[nH]c1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,CS(C)=O,419.0
9722,COc1ccc2c(c1)[nH]c1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,Cc1ccccc1,398.0
9722,COc1ccc2c(c1)[nH]c1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,ClCCl,409.0
10854,Cc1cc2cc(N3c4ccccc4Oc4ccccc43)ccc2c(=O)o1,Cc1ccccc1,395.0
9311,COc1ccc(/C=N/N=C/c2ccc(OC)cc2OCc2ccccc2[N+](=O)[O-])c(OCc2ccccc2[N+](=O)[O-])c1,C1CCOC1,356.0
14399,O=[N+]([O-])c1ccccc1COc1ccc(Cl)cc1/C=N/N=C/c1cc(Cl)ccc1OCc1ccccc1[N+](=O)[O-],C1CCOC1,355.0
14400,O=[N+]([O-])c1ccccc1COc1ccccc1/C=N/N=C/c1ccccc1OCc1ccccc1[N+](=O)[O-],C1CCOC1,343.0
9751,COc1ccc2c(c1)c1cc(OC)ccc1n2-c1nc2ccccc2nc1-n1c2ccc(OC)cc2c2cc(OC)ccc21,Cc1ccccc1,437.0
15509,c1ccc2nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc2c1,Cc1ccccc1,404.0
9754,COc1ccc2c(c1)c1ccccc1n2-c1nc2ccccc2nc1-n1c2ccccc2c2cc(OC)ccc21,Cc1ccccc1,423.0
1270,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc2ccccc2nc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21,Cc1ccccc1,419.0
1286,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,ClCCl,689.0
1287,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2cc4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3,C1CCCCC1,693.0
1287,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2cc4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3,C1CCOC1,689.0
1287,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2cc4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3,CC#N,683.0
1287,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2cc4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3,Cc1ccccc1,694.0
1287,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2cc4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3,ClCCl,691.0
10739,Cc1cc(C)c(C2=C3C=c4c(c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc4c23)c(C)c1,C1CCOC1,692.0
10739,Cc1cc(C)c(C2=C3C=c4c(c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc4c23)c(C)c1,C1CCCCC1,693.0
10739,Cc1cc(C)c(C2=C3C=c4c(c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc4c23)c(C)c1,CC#N,686.0
10739,Cc1cc(C)c(C2=C3C=c4c(c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc4c23)c(C)c1,Cc1ccccc1,698.0
10739,Cc1cc(C)c(C2=C3C=c4c(c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc4c23)c(C)c1,ClCCl,693.0
10740,Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,C1CCCCC1,674.0
10740,Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,C1CCOC1,673.0
10740,Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,CC#N,666.0
10740,Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,Cc1ccccc1,680.0
10740,Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,ClCCl,673.0
8867,COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,C1CCCCC1,733.0
8867,COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,C1CCOC1,730.0
8867,COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,CC#N,718.0
8867,COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,Cc1ccccc1,740.0
8867,COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,ClCCl,727.0
9742,COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,C1CCCCC1,678.0
9742,COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,C1CCOC1,676.0
9742,COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,CC#N,666.0
9742,COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,Cc1ccccc1,682.0
9742,COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,ClCCl,675.0
9766,COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,C1CCCCC1,669.0
9766,COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,C1CCOC1,670.0
9766,COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,CC#N,660.0
9766,COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,Cc1ccccc1,675.0
9766,COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,ClCCl,664.0
1286,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,C1CCCCC1,689.0
1286,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,C1CCOC1,686.0
1286,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,CC#N,682.0
1286,CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,Cc1ccccc1,691.0
15434,c1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)nc21,C1CCOC1,411.0
15434,c1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)nc21,CC#N,412.0
15434,c1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)nc21,CCO,410.0
15434,c1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)nc21,CS(C)=O,410.0
15434,c1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)nc21,ClCCl,413.0
10738,Cc1cc(C)c(C2=C3C=CC=[N+]3[B-]3(c4ccccc4)Oc4cc(O)cc5c6ccc(C)cc6c6cc2n3c6c45)c(C)c1,ClC(Cl)Cl,643.0
9935,COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=N)oc12,C1CCOC1,339.0
9935,COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=N)oc12,CC#N,332.0
9935,COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=N)oc12,CS(C)=O,335.0
9935,COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=N)oc12,ClC(Cl)Cl,332.0
13249,N=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1,C1CCOC1,355.0
13249,N=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1,CC#N,350.0
13249,N=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1,CS(C)=O,368.0
13249,N=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,352.0
14503,O=c1cc2c(-c3c(O)c4cccc5ccc6oc(=O)cc3c6c54)c(O)c3cccc4ccc(o1)c2c43,CC1CCCO1,486.0
8596,COc1c(-c2c(OC)c3cccc4ccc5oc(=O)cc2c5c43)c2cc(=O)oc3ccc4cccc1c4c32,CC1CCCO1,476.0
3706,CCCCCCCC[N+]1=C(C=C2C(=O)C(c3ccc(-c4ccc(-c5ccc6c(c5)Sc5cc(-c7ccc(OCC(CC)CCCC)cc7)ccc5N6CCCCCC)s4)s3)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,C1CCOC1,667.0
12654,N#CC(=Cc1ccc(-c2ccc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)s3)s2)s1)C(=O)O,C1CCOC1,484.0
871,CC(C)(C)OC(=O)NCCCN1Cc2cc3ccc4occc4n3c2C1=O,ClCCl,355.0
4773,CCCCCCc1cc(-c2ccc3[n+](c2)[B-](F)(F)N2C=CC=CC2=C3C#N)sc1-c1ccc2c(c1)Sc1cc(/C=C(/C#N)C(=O)O)ccc1N2c1ccc(-c2ccc3[n+](c2)[B-](F)(F)N2C=CC=CC2=C3C#N)cc1,C1CCOC1,460.0
4801,CCCCCCc1cc(-c2ccc3c(c2)Sc2cc(/C=C(/C#N)C(=O)O)ccc2N3c2ccc(-c3ccc4[n+](c3)[B-](F)(F)N3C=CC=CC3=C4C#N)cc2)sc1-c1ccc2[n+](c1)[B-](F)(F)N1C=CC=CC1=C2C#N,C1CCOC1,460.0
10865,Cc1cc2ccccc2c2c1c1ccccc1n2-c1ccccc1,ClCCl,303.0
10863,Cc1cc2ccccc2c2c1c1ccccc1n2-c1ccc(C#N)cc1,ClCCl,303.0
9197,COc1ccc(-n2c3ccccc3c3c(C)cc4ccccc4c32)cc1,ClCCl,303.0
4922,CCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C=c5sc(=C(C#N)C#N)[nH]c5=O)s4)cc3)c3ccc(-c4ccc(CCCCCC)s4)cc3)cc2)s1,ClCCl,526.0
14233,O=S(=O)(c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,Cc1ccccc1,341.0
4286,CCCCCCOc1ccc(-c2nc3c(-c4cc(CCCCCC)c(C=C(C#N)C(=O)O)s4)ccc(-c4ccc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)s4)c3n2C)cc1,Cc1ccccc1,456.0
4287,CCCCCCOc1ccc(-c2nc3c(-c4cc(CCCCCC)c(C=C(C#N)C(=O)O)s4)ccc(-c4ccc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)s4)c3n2CCCCCC)cc1,Cc1ccccc1,445.0
2162,CC1=[N+]2C(=Cc3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,592.5
2162,CC1=[N+]2C(=Cc3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,589.0
10030,CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,C1CCCCC1,606.0
10030,CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,CC#N,592.0
10030,CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,CC(C)=O,595.0
10030,CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,CCOC(C)=O,598.0
10030,CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,Cc1ccccc1,607.0
71,C#CCNC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,C1CCCCC1,568.0
71,C#CCNC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,CCOC(C)=O,568.0
14829,c1cc(-c2c3ccccc3cc3ccccc23)cc(-c2c3ccccc3cc3ccccc23)c1,C1CCOC1,387.0
1427,CC(C)[Si](C#Cc1c2nc3ccccc3nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4ccccc43)nc12)(C(C)C)C(C)C,CCCCCC,649.0
11820,Cn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(/C=C(\C#N)C(=O)O)s1,C1CCOC1,472.0
1915,CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21,Cc1ccccc1,389.9665552
5576,CCCC[n+]1c(/C=C2/C(=O)C(O)=C2[O-])ccc2ccccc21,CCO,465.0
14620,Oc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ncc(-c2ccccc2)o1,Cc1ccccc1,315.0
15344,c1ccc2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)cccc2c1,ClCCl,375.0
9674,COc1ccc([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)cc1,C1CCOC1,386.29283489096576
12170,Fc1c(F)c(F)c([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)c(F)c1F,C1CCOC1,366.8639053254438
1512,CC(C)c1cccc(C(C)C)c1[N+]1=Cc2cccn2[B-]1(c1ccccc1)c1ccccc1,C1CCOC1,353.2763532763533
13171,N#Cc1ccc([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)cc1,C1CCOC1,403.9087947882736
11534,Cc1cccc(C)c1[N+]1=Cc2cccn2[B-]1(c1ccccc1)c1ccccc1,C1CCOC1,353.2763532763533
12223,Fc1ccc([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)cc1,C1CCOC1,381.5384615384616
472,C1=[N+](c2ccccc2)[B-](c2ccccc2)(c2ccccc2)n2cccc21,C1CCOC1,382.7160493827161
11408,Cc1ccc([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)cc1C,C1CCOC1,383.9009287925697
14376,O=[N+]([O-])c1ccc([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)cc1,C1CCOC1,420.33898305084745
12179,Fc1cc([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)cc(F)c1F,C1CCOC1,389.93710691823895
2022,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(CN5CCCCC5)cc4)c4ccc(=[NH2+])cc-4oc3c21,O,540.0
2722,CCCCC(CC)Cn1c2cc(C#N)ccc2c2ccc(C#Cc3ccc4ccc5c(C#Cc6ccc7c8ccc(C#N)cc8n(CC(CC)CCCC)c7c6)ccc6ccc3c4c65)cc21,ClCCl,385.0
1874,CC1(C)c2ccccc2N(c2ccc(-c3nc4cccnc4nc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,409.0
12589,N#C/C(=C\c1ccc2c(c1)Sc1ccccc1N2CCCCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,402.0
7561,CN(C)c1ccc(C2=CC(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(N(C)C)cc4)cc(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,763.0
7590,CN(C)c1ccc(C2=[N+]3C(=Nc4c(-c5ccc(O)cc5)cc(-c5ccc(N(C)C)cc5)n4[B-]3(F)F)C(c3ccc(O)cc3)=C2)cc1,C1CCOC1,775.0
7590,CN(C)c1ccc(C2=[N+]3C(=Nc4c(-c5ccc(O)cc5)cc(-c5ccc(N(C)C)cc5)n4[B-]3(F)F)C(c3ccc(O)cc3)=C2)cc1,CS(C)=O,794.0
7590,CN(C)c1ccc(C2=[N+]3C(=Nc4c(-c5ccc(O)cc5)cc(-c5ccc(N(C)C)cc5)n4[B-]3(F)F)C(c3ccc(O)cc3)=C2)cc1,Cc1ccccc1,778.0
7591,CN(C)c1ccc(C2=[N+]3C(=Nc4c(-c5ccc(OCCCCS(=O)(=O)[O-])cc5)cc(-c5ccc(N(C)C)cc5)n4[B-]3(F)F)C(c3ccc(OCCCCS(=O)(=O)[O-])cc3)=C2)cc1,CS(C)=O,786.0
7592,CN(C)c1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(N(C)C)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,ClC(Cl)Cl,799.0
11172,Cc1ccc(C2=CC(c3ccc(C)cc3)=[N+]3C2=Nc2c(-c4ccc(C)cc4)cc(-c4ccc(C)cc4)n2[B-]3(F)F)cc1,ClC(Cl)Cl,652.0
9445,COc1ccc(C2=CC(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)cc(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,663.0
9445,COc1ccc(C2=CC(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)cc(-c4ccccc4)n2[B-]3(F)F)cc1,ClC(Cl)Cl,664.0
12059,F[B-]1(F)n2c(-c3ccc(Br)cc3)cc(-c3ccccc3)c2N=C2C(c3ccccc3)=CC(c3ccc(Br)cc3)=[N+]21,ClC(Cl)Cl,658.0
12063,F[B-]1(F)n2c(-c3ccccc3)cc(-c3ccccc3)c2N=C2C(c3ccccc3)=CC(c3ccccc3)=[N+]21,CC#N,643.0
12063,F[B-]1(F)n2c(-c3ccccc3)cc(-c3ccccc3)c2N=C2C(c3ccccc3)=CC(c3ccccc3)=[N+]21,ClC(Cl)Cl,650.0
9983,COc1ccccc1C1=[N+]2C(=Nc3c(-c4ccccc4)cc(-c4ccccc4OC)n3[B-]2(F)F)C(c2ccccc2)=C1,Cc1ccccc1,640.0
9469,COc1ccc(C2=[N+]3C(=Nc4c(-c5cc(OC)c(OC)c(OC)c5)c(Br)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3cc(OC)c(OC)c(OC)c3)=C2Br)cc1,Cc1ccccc1,689.0
9389,COc1ccc(C2=C(Br)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(Br)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,654.0
9470,COc1ccc(C2=[N+]3C(=Nc4c(-c5cc(OC)c(OC)c(OC)c5)cc(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3cc(OC)c(OC)c(OC)c3)=C2)cc1,Cc1ccccc1,698.0
9474,COc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)c(Br)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2Br)cc1,ClC(Cl)Cl,679.0
9474,COc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)c(Br)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2Br)cc1,ClCCl,679.0
9476,COc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,ClC(Cl)Cl,688.0
73,C#CCOc1ccc(-c2cc(-c3ccccc3)c3n2[B-](F)(F)[N+]2=C(c4ccc(OCCCS(=O)(=O)[O-])cc4)C=C(c4ccccc4)C2=N3)cc1,O,690.0
9476,COc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,ClCCl,688.0
1095,CC(C)(C)c1ccc(C2=CC(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)n2[B-]3(F)F)cc1,C1CCOC1,654.0
81,C#CCOc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(O)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,ClC(Cl)Cl,680.0
81,C#CCOc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(O)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,CO,688.0
81,C#CCOc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(O)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,Cc1ccccc1,685.0
1095,CC(C)(C)c1ccc(C2=CC(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,657.0
1095,CC(C)(C)c1ccc(C2=CC(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccccc4)n2[B-]3(F)F)cc1,ClC(Cl)Cl,654.0
6518,CCOC(=O)/C(C)=C/C1=C(c2ccc(C)cc2)C2=Nc3c(-c4ccc(C)cc4)c(Br)c(-c4ccc(C)cc4)n3[B-](F)(F)[N+]2=C1c1ccc(C)cc1,ClC(Cl)Cl,661.0
6520,CCOC(=O)/C=C/C1=C(c2ccc(C)cc2)C2=Nc3c(-c4ccc(C)cc4)c(Br)c(-c4ccc(C)cc4)n3[B-](F)(F)[N+]2=C1c1ccc(C)cc1,ClC(Cl)Cl,666.0
6521,CCOC(=O)/C=C/C1=C(c2ccc(C)cc2)C2=Nc3c(-c4ccc(C)cc4)cc(-c4ccc(C)cc4)n3[B-](F)(F)[N+]2=C1c1ccc(C)cc1,ClC(Cl)Cl,663.0
13608,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)cc3)c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)cc3)cc2)SC1=S,CCO,480.0
14127,O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,CCCCCC,330.0
14127,O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,CCOC(C)=O,329.0
14127,O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,CCOCC,330.0
14127,O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,Cc1ccccc1,332.0
14127,O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,ClCCl,331.0
14127,O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,C1CCOC1,330.0
1176,CC(C)(C)c1ccc2c(c1)C1=Nc3c4cc(C(C)(C)C)ccc4c4n3[Zn]n3c(c5ccc(C(C)(C)C)cc5c3=NC3=NC(=N4)c4ccc(C(=O)O)cc43)=NC2=N1,CCO,670.0
1174,CC(C)(C)c1ccc2c(c1)C1=N/C2=N\c2c3cc(C(C)(C)C)ccc3c3n2[Zn]n2/c(c4ccc(C(C)(C)C)cc4/c2=N/C2=N/C(=N\3)c3cc(O)c(O)cc32)=N\1,CCO,680.0
4604,CCCCCCOc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Sc3cc(-c4cc5c(s4)-c4sccc4-c4c6cccc4OCCCCCCCCOc4cccc(c4-5)OCCCCCCCCO6)ccc32)cc1,ClCCl,506.0
3252,CCCCCCCCCCCCc1cc(-c2ccc3c(c2)C2C4CCC(C4)C2N3c2ccc(-c3cccs3)cc2)sc1-c1cc2sc(/C=C(/C#N)C(=O)O)cc2s1,ClCCl,520.0
12054,F[B-]1(F)Oc2ccccc2-c2cnc3ccccc3[n+]21,Cc1ccccc1,407.0
9613,COc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccc(OC)cc5)cc5ccc(c2)c3c45)cc1,Cc1ccccc1,453.0
12388,N#C/C(=C\c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)s2)s1)C(=O)O,C1CCOC1,462.0
6388,CCN1CCCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])CCC[N+]=2CC,CCO,662.0
6389,CCN1CCCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3c1ccccc1C(=O)[O-])CCC[N+]=2CC,CCO,632.0
8001,CN1C(=O)c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C1=O,CCCCCC,402.0
8001,CN1C(=O)c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C1=O,ClC(Cl)Cl,404.0
8001,CN1C(=O)c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C1=O,ClCCl,414.0
8001,CN1C(=O)c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C1=O,C1CCOC1,408.0
3188,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1-c1c2nc(c(C#Cc3ccc(N(C)C)cc3)c3ccc([nH]3)c(-c3c(OCCCCCCCCCCCC)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ccc(C(=O)O)cc4)c4ccc1[nH]4)C=C3)C=C2,C1CCOC1,703.0
1060,CC(C)(C)c1ccc(-n2c(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,C1CCOC1,365.0
3884,CCCCCCCCn1nc2c(-c3ccc(N4c5ccccc5C5C6CCC(C6)C54)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1,ClCCl,546.0
3885,CCCCCCCCn1nc2c(-c3ccc(N4c5ccccc5C5C6CCC(C6)C54)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(C(=O)O)s3)c2n1,ClCCl,529.0
8046,CN1c2ccc3c(c2-c2ccccc2S1(=O)=O)-c1ccccc1S(=O)(=O)N3C,ClCCl,350.0
8291,COC(=O)c1c(NC(C)(C)C)oc(-c2ccccc2)c1C(=O)OC,CC#N,334.0
12714,N#CC(=Cc1ccc(-c2cnc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nsnc23)cc1)C(=O)O,C1CCOC1,518.0
5034,CCCCCCn1c2cc(-c3ccc(-n4c(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4/C=C(\C#N)C(=O)O)cc3)ccc2c2ccc(-c3ccc(-n4c(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,425.0
12579,N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1,CC#N,382.0
9229,COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1,CC#N,373.0
9230,COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1,CC#N,380.0
12532,N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)cs1,CC#N,367.0
12534,N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CC#N,370.0
12534,N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CCO,375.0
12534,N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CN(C)C=O,376.0
9096,COc1ccc(-c2csc(/C(C#N)=C/c3c(Cl)cccc3Cl)n2)cc1,CC#N,360.0
12534,N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,ClCCl,375.0
9097,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)cc3)n2)cc1,CC#N,389.0
9097,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)cc3)n2)cc1,CCO,395.0
9097,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)cc3)n2)cc1,CN(C)C=O,395.0
9097,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)cc3)n2)cc1,Cc1ccccc1,400.0
9097,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)cc3)n2)cc1,ClCCl,396.0
9098,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(F)(F)F)cc3)n2)cc1,CC#N,380.0
9099,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3)n2)cc1,CC#N,376.0
9100,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1,CC#N,377.0
9101,COc1ccc(-c2csc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)n2)cc1,CC#N,399.0
9102,COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3Cl)n2)cc1,CC#N,372.0
12536,N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1,CC#N,359.0
12534,N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,Cc1ccccc1,380.0
12548,N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1,CC#N,364.0
3497,CCCCCCCCOc1ccc(-c2c(-c3c(-c4ccc(OCCCCCCCC)cc4)n(CCCCCCCC)c4cc(-c5ccc(C=C(C#N)C(=O)O)o5)ccc34)c3cc(-c4ccc(C=C(C#N)C(=O)O)o4)ccc3n2CCCCCCCC)cc1,C1CCOC1,468.0
1750,CC1(C)c2cccc3c2N2c4c1cc(-c1ccncc1)cc4C(C)(C)c1cc(-c4ccncc4)cc(c12)C3(C)C,ClCCl,376.0
14546,O=c1oc2ccccc2c2c1c(=O)oc1cc(O)c3ccccc3c12,CS(C)=O,441.0
14546,O=c1oc2ccccc2c2c1c(=O)oc1cc(O)c3ccccc3c12,ClCCl,442.0
14549,O=c1oc2ccccc2c2c1c(=O)oc1ccc3ccc(O)cc3c12,CS(C)=O,428.0
14549,O=c1oc2ccccc2c2c1c(=O)oc1ccc3ccc(O)cc3c12,ClCCl,428.0
6980,CC[N+]1=C(/C=C/c2c(C)nn3c(-c4ccc(OC)cc4)ccnc23)C(C)(C)c2ccccc21,CCO,478.0
6980,CC[N+]1=C(/C=C/c2c(C)nn3c(-c4ccc(OC)cc4)ccnc23)C(C)(C)c2ccccc21,ClCCl,484.0
6980,CC[N+]1=C(/C=C/c2c(C)nn3c(-c4ccc(OC)cc4)ccnc23)C(C)(C)c2ccccc21,O,464.0
7254,CN(C)C#Cc1ccc(C2=C3C(=O)N(Cc4ccccc4)C(c4ccc(C(=O)O)cc4)=C3C(=O)N2Cc2ccccc2)cc1,C1CCOC1,488.0
5762,CCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5sc(/C=C(\C#N)C(=O)O)c6c5OCCO6)ccc3n4CCCC)ccc21,C1CCOC1,448.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,CCO,349.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,CCOC(C)=O,352.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,CN(C)C=O,346.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,CO,349.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,Cc1ccccc1,358.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,ClC(Cl)Cl,352.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,ClCCl,352.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,C1CCOC1,352.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,CC#N,349.0
14103,O=Cc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12,CC(C)=O,352.0
1112,CC(C)(C)c1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(cc(/C=C/C=C/C(=O)O)c3/C=C3\N=C(C=C3/C=C/C=C/C(=O)O)/C=4c3cc(C(C)(C)C)cc(C(C)(C)C)c3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)c2ccc(C(C)(C)C)cc2)cc1,CCO,650.0
1116,CC(C)(C)c1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C=C2\N=C(C=C2/C=C/C(=O)O)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(C(C)(C)C)cc2)cc1,CCO,618.0
1117,CC(C)(C)c1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C=C2\N=C(C=C2/C=C/C=C/C(=O)O)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(C(C)(C)C)cc2)cc1,CCO,628.0
7009,CC[P](CC)(CC)[Pt](C#Cc3ccc(N(c1ccccc1)c2ccccc2)cc3)(C#Cc4ccc(/C=C(C#N)\C(=O)O)s4)[P](CC)(CC)CC,ClCCl,462.0
5282,CCCCN(CCCC)c1ccc2nc3c4ccccc4c(=O)c(-c4c5ccccc5cc5ccccc45)c-3oc2c1,ClCCl,555.0
12650,N#CC(=Cc1ccc(-c2ccc(-c3c4c5ccccc5oc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c-4c4ccccc34)s2)s1)C(=O)O,ClC(Cl)Cl,414.0
3790,CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/c(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)sc(=O)n2CC(=O)O)c1=O,ClC(Cl)Cl,566.0
2966,CCCCCCCCC(CCCCCC)Cn1c2c3ccccc3sc2c2sc3cc(-c4ccc5c(c4)Sc4cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc4N5CC(CC)CCCC)ccc3c21,C1CCOC1,460.0
704,CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CN(C)C=O,366.0
704,CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CO,364.0
704,CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CS(C)=O,370.0
704,CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CCO,365.0
704,CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CCOC(C)=O,357.0
14484,O=c1c2ccccc2n2c3ccc(-c4ccccc4)cc3c(=O)c3cccc1c32,CC#N,442.0
14484,O=c1c2ccccc2n2c3ccc(-c4ccccc4)cc3c(=O)c3cccc1c32,CCCCCC,434.0
14484,O=c1c2ccccc2n2c3ccc(-c4ccccc4)cc3c(=O)c3cccc1c32,CCCCOCCCC,437.0
14484,O=c1c2ccccc2n2c3ccc(-c4ccccc4)cc3c(=O)c3cccc1c32,CCOC(C)=O,439.0
14484,O=c1c2ccccc2n2c3ccc(-c4ccccc4)cc3c(=O)c3cccc1c32,CN(C)C=O,445.0
14143,O=Cc1ccc(C#CC(C#Cc2ccc(C=O)s2)=Cc2ccc(C=C(C#Cc3ccc(C=O)s3)C#Cc3ccc(C=O)s3)cc2)s1,ClC(Cl)Cl,456.0
158,C(#Cc1cccs1)C(C#Cc1cccs1)=Cc1ccc(C=C(C#Cc2cccs2)C#Cc2cccs2)cc1,ClC(Cl)Cl,438.0
10180,C[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([Si](C)(C)C)cc5)s4)c4nsnc34)s2)cc1,C1CCOC1,495.0
3041,CCCCCCCCCCC1(CCCCCCCC)C(/C=C/c2cc3c4c(c2)C(C)(C)c2cccc5c2N4c2c(cccc2C3(C)C)C5(C)C)=[N+](CCCCCC)c2ccc(C(=O)O)cc21,CO,606.0
10133,C[N+]1=C(/C=C/c2cc3c4c(c2)C(C)(C)c2cccc5c2N4c2c(cccc2C3(C)C)C5(C)C)C(C)(C)c2cc(C(=O)O)ccc21,CO,588.0
4669,CCCCCC[N+]1=C(/C=C/c2cc3c4c(c2)C(C)(C)c2cccc5c2N4c2c(cccc2C3(C)C)C5(C)C)C(C)(C)c2cc(C(=O)O)ccc21,CO,595.0
4917,CCCCCCc1ccc(-c2ccc(-c3ccc4c(c3)Sc3cc(/C=C(\C#N)C(=O)O)ccc3N4CCCCCC)s2)s1,ClCCl,470.0
4918,CCCCCCc1ccc(-c2ccc(-c3ccc4c(c3)Sc3cc(C=C(C#N)C(=O)O)ccc3N4CCCCCC)s2)s1,C1CCOC1,449.0
5391,CCCCN1c2ccccc2Sc2cc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)ccc21,C1CCOC1,444.0
5393,CCCCN1c2ccccc2Sc2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc21,C1CCOC1,444.0
4750,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)Sc3ccccc3N4C[C@@H](CC)CCCC)s2)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,494.0
4124,CCCCCCN1c2ccccc2Sc2cc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)ccc21,ClCCl,490.0
2669,CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3ccc(-c4sc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)c5c4C(=O)N(CC(CC)CCCC)C5=O)s3)cc2)cc1,C1CCOC1,481.0
2699,CCCCC(CC)Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4sc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)c5c4C(=O)N(CC(CC)CCCC)C5=O)s3)cc2)cc1,C1CCOC1,475.0
1557,CC1(C)/C(=C\C2=C([O-])C(=O)C2=O)N(CCC(=O)O)c2ccc3ccccc3c21,CCO,443.0
3119,CC1(C)/C(=C\C2=C([O-])C(=O)C2=O)N(CCCCCCCCCCCC)c2ccc3ccccc3c21,CCO,428.0
6686,CCOC(=O)c1c(C=Cc2ccccc2)oc(NC2CCCCC2)c1C(=O)OCC,CC#N,384.0
874,CC(C)(C)OC(=O)c1c(C=Cc2ccccc2)oc(NC2CCCCC2)c1C(=O)OC(C)(C)C,CC#N,384.0
1831,CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C=C(C#N)C(=O)O)ccc3-4)cc21,CCO,427.0
170,C(#Cc1ncc(-c2ccccc2)o1)c1cccnc1,ClCCl,330.0
2742,CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)o4)c4nc5c(nc34)-c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc3-5)ccc21,ClCCl,490.0
3281,CCCCCCCCCCN1c2ccccc2Oc2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)o5)cc4s3)ccc21,CN(C)C=O,439.0
5148,CCCCCCn1cc(/C=C(/C#N)c2ccc(C=C(C#N)C(=O)O)s2)c2cc(OC)ccc21,ClC(Cl)Cl,503.0
5149,CCCCCCn1cc(/C=C(/C#N)c2ccc(C=C(C#N)C(=O)O)s2)c2ccccc21,ClC(Cl)Cl,495.0
5151,CCCCCCn1cc(C=C(C#N)c2ccc(C=C(C#N)C(=O)O)s2)c2cc([N+](=O)[O-])ccc21,ClC(Cl)Cl,460.0
4582,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3=C4C(=O)N(C[C@H](CC)CCCC)C(c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)=C4C(=O)N3C[C@H](CC)CCCC)s2)cc1,C1CCOC1,660.0
2042,CC1=CC(C)(C)Nc2ccc3c(-c4cccs4)c4ccc(=[NH2+])cc-4oc3c21,O,515.0
4017,CCCCCCN1c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)s3)ccc21,ClCCl,467.0
14974,c1ccc(-c2cc3cccc[n+]3[b-]3c(-c4cccc5[b-]4[n+]4ccccc4cc5-c4ccccc4)cccc32)cc1,C1CCCCC1,449.0
2934,CCCCCCC1=C2C(C)=C(c3ccc(-c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)n4CC)s3)C(C)=[N+]2[B-](F)(F)n2c(C)c(C=C(C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,531.0
3784,CCCCCCCCn1c(-c2ccc(C3=C(C)C4=C(CCCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)s2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1,ClC(Cl)Cl,532.0
5280,CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccnc(-c5cc(C(=O)O)ccn5)c4)nc3c3[nH]c4ccccc4c3c21,C1CCOC1,425.0
2602,CCCCC(CC)CN1C(=O)c2ccc3c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc5c6c(ccc(c7c(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(CC(CC)CCCC)C5=O,ClC(Cl)Cl,609.0
3412,CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc5c6c(ccc(c7c(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,609.0
13748,O=C(O)c1ccc(C2N=C3Oc4c(cc5c6c4CCCN6CCC5)C=C3c3nc4ccccc4n32)cc1,CS(C)=O,475.0
13674,O=C(O)c1cc(C2N=C3Oc4c(cc5c6c4CCCN6CCC5)C=C3c3nc4ccccc4n32)ccc1O,CS(C)=O,454.0
7335,CN(C)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)cc3)cc2)cc1,ClCCl,477.0
5488,CCCCOc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)cc3)cc2)cc1,ClCCl,469.0
4194,CCCCCCOc1cc(/C=C/c2cc(OCCCCCC)c(/C=C/c3cc(OCCCCCC)c(C=C4C(=C(C#N)C#N)c5ccccc5C4=C(C#N)C#N)cc3OCCCCCC)cc2OCCCCCC)c(OCCCCCC)cc1C=C1C(=C(C#N)C#N)c2ccccc2C1=C(C#N)C#N,ClCCl,640.0
8311,COC(=O)c1cc(=O)n(Cc2ccccc2)c2cc(-c3ccc(N(C)C)cc3)sc12,CC#N,432.0
8311,COC(=O)c1cc(=O)n(Cc2ccccc2)c2cc(-c3ccc(N(C)C)cc3)sc12,ClCCl,436.0
8312,COC(=O)c1cc(=O)n(Cc2ccccc2)c2cc(-c3ccc(OC)cc3)sc12,CC#N,400.0
8312,COC(=O)c1cc(=O)n(Cc2ccccc2)c2cc(-c3ccc(OC)cc3)sc12,ClCCl,404.0
9011,COc1ccc(-c2cc3c(s2)c(C(C)=O)cc(=O)n3Cc2ccccc2)cc1,CC#N,420.0
9011,COc1ccc(-c2cc3c(s2)c(C(C)=O)cc(=O)n3Cc2ccccc2)cc1,ClCCl,426.0
14967,c1ccc(-c2cc3cc4ccccc4cc3p2-c2ccccc2)cc1,ClCCl,378.0
5824,CCCNc1ccc([N+](=O)[O-])c2n[nH]nc12,CCO,420.0
2831,CCCCCC1(CCCCC)c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)cc21,CN(C)C=O,385.0
12376,N#C/C(=C\c1ccc(-c2cc3c4c(c2)CCCN4CCC3)s1)C(=O)O,CCO,458.0
12602,N#C/C(=C\c1ccc2sc(-c3ccc4c(c3)CCN4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)nc2c1)C(=O)O,ClCCl,410.0
3590,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4sc(/C=C5\SC(=S)N(C(=O)O)C5=O)c5c4OCCO5)c4nccnc34)cc2)cc1,Cc1ccccc1,537.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,CCCCCC,336.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,CCCCOCCCC,336.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,CCN(CC)CC,333.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,CCOC(C)=O,332.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,CCOCC,333.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,Cc1ccccc1,338.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,c1ccccc1,338.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,C1CCOC1,333.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,C1COCCO1,326.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,CC#N,330.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,CC(C)=O,333.0
15030,c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)oc2-c2ccccc2)cc1,CC(C)OC(C)C,334.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,C1COCCO1,357.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,CC#N,354.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,CC(=O)N(C)C,359.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,CCCCCCCCCCO,362.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,CCCCCCCCO,359.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,CCCCCCO,360.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,CCCCO,356.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,CCO,357.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,CS(C)=O,360.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,Cc1ccccc1,360.0
15351,c1ccc2c(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cccc9ccccc89)s7)o6)cc5)o4)s3)cccc2c1,ClC(Cl)Cl,357.0
13010,N#Cc1c(N2CCCCC2)cc(-c2cccc3ccccc23)c2c1Cc1ccccc1-2,C1CCOC1,358.0
8794,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,C1CCOC1,612.0
8794,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,CS(C)=O,622.0
8794,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,ClCCl,606.0
8795,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccccc45)c(I)c(C)c32)c1,C1CCOC1,627.0
8795,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccccc45)c(I)c(C)c32)c1,CS(C)=O,636.0
8795,COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccccc45)c(I)c(C)c32)c1,ClCCl,618.0
7316,CN(C)c1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)nc2)cc1,ClC(Cl)Cl,332.0
918,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3cncnc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,656.0
5940,CCN(CC)c1ccc(-c2cc3c(s2)=CC2=C(c4ccc(C(=O)O)cc4)c4cc5sc(-c6ccc(N(CC)CC)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,ClCCl,783.0
4471,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nc(-c6ccc(OCCCCCC)c(OCCCCCC)c6)c(-c6ccc(OCCCCCC)c(OCCCCCC)c6)nc45)s3)cc2)cc1,C1CCOC1,532.0
4289,CCCCCCOc1ccc(-c2nc3c(-c4ccc(C=C(C#N)C(=O)O)s4)ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c3nc2-c2ccc(OCCCCCC)c(OCCCCCC)c2)cc1OCCCCCC,C1CCOC1,513.0
3574,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4c(F)c(F)c(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)s3)cc2)cc1,Cc1ccccc1,525.0
12454,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccccc4)cc3)cc2)s1)C(=O)O,ClC(Cl)Cl,479.0
5377,CCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,448.0
4082,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,417.0
4062,CCCCCCN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,417.0
5374,CCCCN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,448.0
12603,N#C/C(=C\c1cccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O,CC#N,376.0
12603,N#C/C(=C\c1cccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O,CO,376.0
12603,N#C/C(=C\c1cccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O,ClCCl,377.0
12566,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,C1CCOC1,411.0
12566,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,CC#N,420.0
12566,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,CO,405.0
12566,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,Cc1ccccc1,431.0
12566,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,ClCCl,431.0
12603,N#C/C(=C\c1cccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O,Cc1ccccc1,379.0
12603,N#C/C(=C\c1cccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O,C1CCOC1,377.0
15054,c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)n2)cc1,Cc1ccccc1,376.5578635
8945,COc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc2o4)C=C3)cc1,C1CCOC1,452.0
8945,COc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc2o4)C=C3)cc1,Cc1ccccc1,453.0
8945,COc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc2o4)C=C3)cc1,c1ccccc1,453.0
8946,COc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc2o4)C=C3)cc1,C1CCOC1,446.0
8946,COc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc2o4)C=C3)cc1,Cc1ccccc1,448.0
8946,COc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc2o4)C=C3)cc1,c1ccccc1,448.0
10904,Cc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc2o4)C=C3)cc1,C1CCOC1,451.0
10904,Cc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc2o4)C=C3)cc1,Cc1ccccc1,452.0
10904,Cc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc2o4)C=C3)cc1,c1ccccc1,452.0
10905,Cc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc2o4)C=C3)cc1,C1CCOC1,445.0
10905,Cc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc2o4)C=C3)cc1,Cc1ccccc1,448.0
10905,Cc1ccc(-c2c3ccc([nH]3)c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc2o4)C=C3)cc1,c1ccccc1,448.0
1573,CC1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc5ccccc5c4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21,CO,800.0
1576,CC1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc5ccccc5c4C3(C)C)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccc3ccccc3c21,CO,800.0
3026,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)Cc3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,C1CCOC1,372.0
3026,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)Cc3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,C1COCCO1,372.0
3026,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)Cc3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,CCCCCC,369.0
3026,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)Cc3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,Cc1ccccc1,374.0
15043,c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nn2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc1,ClCCl,333.0
350,C(S/C=C/c1ccc(-c2ccc(/C=C/SC=C(c3ccccc3)c3ccccc3)cc2)cc1)=C(c1ccccc1)c1ccccc1,ClCCl,365.0
4038,CCCCCCN1c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2Sc2cc(-c3sc(-n4c5ccccc5c5ccccc54)c4c3OCCO4)ccc21,ClCCl,490.0
5100,CCCCCCn1c2ccccc2c2cc(-c3ccc(-n4c(/C=C/c5cc6cc(-c7ccc8c(c7)c7ccccc7n8CCCCCC)ccc6n5CCCC)ccc4/C=C(\C#N)C(=O)O)cc3)ccc21,CCO,470.0
5098,CCCCCCn1c2ccccc2c2cc(-c3ccc(-n4c(/C=C(/C#N)C(=O)O)ccc4/C=C/c4cc5cc(-c6ccc7c(c6)c6ccccc6n7CCCCCC)ccc5n4CCCC)cc3)ccc21,CCO,470.0
10723,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OCc4ccccc4)C=[N+]3[B-](F)(F)n3cc(/C=C/C(=O)OCc4ccccc4)cc32)c(C)c1,ClCCl,576.0
10870,Cc1cc2ccsc2c2[nH]c3ccccc3c12,ClCCl,310.0
10853,Cc1cc2cc(C)c3c4ccccc4[nH]c3c2s1,ClCCl,312.0
12304,N#C/C(=C/c1ccc2c(c1)C1(c3cc(/C=C(\C#N)C(=O)O)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)C(=O)O,C1CCOC1,427.0
12304,N#C/C(=C/c1ccc2c(c1)C1(c3cc(/C=C(\C#N)C(=O)O)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)C(=O)O,CC#N,392.0
12304,N#C/C(=C/c1ccc2c(c1)C1(c3cc(/C=C(\C#N)C(=O)O)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)C(=O)O,Cc1ccccc1,446.0
13038,N#Cc1cc(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)cc1C#N,Cc1ccccc1,364.8484848
15232,c1ccc(CSc2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,ClCCl,598.0
4376,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc3c(s2)-c2ccc(-c4ncc(/C=C(\C#N)C(=O)O)cn4)cc2C3(c2ccc(C)cc2)c2ccc(C)cc2)cc1,C1CCOC1,528.0
9735,COc1ccc2c(c1)c(C#N)c(C#N)c1cc(OC)ccc12,ClC(Cl)Cl,403.0
3455,CCCCCCCCOC(=O)c1cc2ccc3ccccc3c2c(C#N)c1N,Cc1ccccc1,435.0
6779,CCOC(=O)c1cc2ccc3ccccc3c2c(C#N)c1N,Cc1ccccc1,435.0
6780,CCOC(=O)c1cc2ccc3ccccc3c2c(C(=O)OCC)c1N,Cc1ccccc1,427.0
12964,N#Cc1c(C#N)c2cc(Br)ccc2c2ccc(Br)cc12,ClC(Cl)Cl,350.0
12965,N#Cc1c(C#N)c2cc(Cl)c(Cl)cc2c2cc(Cl)c(Cl)cc12,ClC(Cl)Cl,343.0
12966,N#Cc1c(C#N)c2cc(Cl)ccc2c2ccc(Cl)cc12,ClC(Cl)Cl,347.0
12967,N#Cc1c(C#N)c2cc(F)ccc2c2ccc(F)cc12,ClC(Cl)Cl,335.0
12969,N#Cc1c(C#N)c2ccccc2c2ccccc12,ClC(Cl)Cl,346.0
15465,c1ccc2c(c1)ccc1ccccc12,Cc1ccccc1,295.0
15465,c1ccc2c(c1)ccc1ccccc12,C1CCCCC1,295.5
11448,Cc1ccc2c(c1)c(C#N)c(C#N)c1cc(C)ccc12,ClC(Cl)Cl,343.0
15029,c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)o5)cc4)cc3)oc2-c2ccccc2)cc1,C1COCCO1,353.0
2889,CCCCCCC1(CCCCCC)c2cc(-c3ccc(/C=C/C4=CC(=C(C#N)C#N)C=C(/C=C/c5ccc(-c6ccc(C=CC(=O)O)s6)s5)O4)cc3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,455.0
2888,CCCCCCC1(CCCCCC)c2cc(-c3ccc(/C=C/C4=CC(=C(C#N)C#N)C=C(/C=C/c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)s5)O4)cc3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,467.0
1148,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6ccc(C#Cc7ccc(C(=O)O)cc7)c7cccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,536.0
1148,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6ccc(C#Cc7ccc(C(=O)O)cc7)c7cccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,ClCCl,535.0
1150,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6ccc(C#Cc7ccc(P(=O)(O)O)cc7)c7cccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,536.0
574,CC(=O)/C(=C(/C)O)c1ccc(C#Cc2ccc3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7cccc2c73)c64)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C5=O)cc1,CN(C)C=O,538.0
575,CC(=O)/C(=C(/C)O)c1ccc(C#Cc2ccc3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7cccc(C(C)(C)C)c7)c(c7cccc2c37)c64)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C5=O)cc1,CN(C)C=O,538.0
576,CC(=O)C(=C(C)O)c1ccc(C#Cc2ccc3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7cccc2c73)c64)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C5=O)cc1,ClCCl,534.0
1150,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6ccc(C#Cc7ccc(P(=O)(O)O)cc7)c7cccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,ClCCl,535.0
1153,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5cccc(C(C)(C)C)c5)c5c6cccc7c(C#Cc8ccc(C(=O)O)cc8)ccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,536.0
1155,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5cccc(C(C)(C)C)c5)c5c6cccc7c(C#Cc8ccc(P(=O)(O)O)cc8)ccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,536.0
2185,CC1CC(C)(C)N(C)c2ccc(C=Cc3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)s3)cc21,CCO,475.0
10093,C[C@H]1CC(C)(C)N(C)c2ccc(/C=C/c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc21,CCO,475.0
1589,CC1(C)C(/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c21,CCO,643.0
1589,CC1(C)C(/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c21,CS(C)=O,495.0
1589,CC1(C)C(/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c21,O,578.0
3737,CCCCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1nc2sc(-c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)s3)nc2s1,C1CCOC1,485.0
3738,CCCCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1nc2sc(-c3ccc(-c4ccc(N(c5ccc(OCCCC)cc5)c5ccc(OCCCC)cc5)cc4)s3)nc2s1,C1CCOC1,486.0
3585,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4nc5sc(-c6sc(C=C(C#N)C(=O)O)cc6CCCCCCCC)nc5s4)s3)cc2)cc1,C1CCOC1,489.0
3739,CCCCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1nc2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nc2s1,C1CCOC1,474.0
2455,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C=Cc1ccc(OC)cc1,Cc1ccccc1,703.0
2455,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C=Cc1ccc(OC)cc1,ClCCl,699.0
2455,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C=Cc1ccc(OC)cc1,CC#N,690.0
2455,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C=Cc1ccc(OC)cc1,CCCCCC,698.0
6850,CCOC(=O)c1sc2nc(C)c(C)c(C#N)c2c1N,c1ccccc1,406.0
6851,CCOC(=O)c1sc2nc(C)c(CC)c(C#N)c2c1N,c1ccccc1,412.0
11139,Cc1ccc(C2=C3C=CC(N(Cc4ccccc4)Cc4ccccc4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,501.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CCCO,518.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CCO,516.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CO,514.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CS(C)=O,522.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,OCC(O)CO,521.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,OCCO,518.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CC#N,515.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CCCCCCO,521.0
6348,CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CCCCO,520.0
12645,N#CC(=Cc1ccc(-c2c(F)c(F)c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3n[nH]nc23)s1)C(=O)O,C1CCOC1,462.0
4726,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nn(CCCCCC)nc23)sc1C=C(C#N)C(=O)O,C1CCOC1,454.0
5153,CCCCCCn1nc2c(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2n1,C1CCOC1,462.0
2921,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc21,ClCCl,327.0
2761,CCCCC1(CCCC)CC(=CC=C(C)c2ccc(C=C(C#N)C(=O)O)s2)c2ccc(N(c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc(C=C(C#N)C(=O)O)s5)ccc3-4)c3ccc4c(c3)c3ccccc3n4CC)cc21,C1CCOC1,492.0
1076,CC(C)(C)c1ccc(C#Cc2c(C#Cc3ccc(C(C)(C)C)cc3)c3cccc4c(C#Cc5ccc(C(C)(C)C)cc5)c(C#Cc5ccc(C(C)(C)C)cc5)c5cccc2c5c34)cc1,ClCCl,410.0
1783,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(/C=C7\SC(=S)N(CC(=O)O)C7=O)s6)s5)ccc43)cc21,CCO,489.0
1785,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(C=C7SC(=S)N(CC(=O)O)C7=O)s6)s5)ccc43)cc21,CCO,489.0
1896,CC1(C)c2ccccc2N(c2ccc3c(c2)S(=O)(=O)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2C3(C)C)c2ccccc21,ClCCl,282.0
10272,Cc1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)c(=O)oc2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12,CCO,431.0
6436,CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,C1CCOC1,429.0
6436,CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CC#N,431.0
6436,CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CC(C)=O,430.0
6436,CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CN(C)C=O,437.0
6436,CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CS(C)=O,441.0
6436,CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,Cc1ccccc1,440.0
6436,CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,ClCCl,435.0
2887,CCCCCCC1(CCCCCC)c2cc(-c3ccc(/C=C/C(=O)O)cc3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,351.0
5090,CCCCCCn1c2ccccc2c2c(-c3ccccc3)c3c(c(-c4ccccc4)c21)c1cc(-c2ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)c4nsnc24)ccc1n3CCCCCC,C1CCOC1,522.0
12367,N#C/C(=C\c1cc2sc3cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)sc3c2s1)C(=O)O,CN(C)C=O,479.0
15381,c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccncc21,CC1CCCO1,307.0
193,C(=C/c1c2ccccc2cc2ccccc12)\c1c2ccccc2cc2ccccc12,C1CCOC1,400.0
5580,CCCCc1c(CCCC)c2cc(C(C)(C)C)cc3c(CCCC)c(CCCC)c4cccc1c4[n+]23,ClCCl,354.0
1180,CC(C)(C)c1ccc2c(c1)[nH]c1c3[nH]c4cc(C(C)(C)C)ccc4c3c3nsnc3c21,Cc1ccccc1,406.0
1180,CC(C)(C)c1ccc2c(c1)[nH]c1c3[nH]c4cc(C(C)(C)C)ccc4c3c3nsnc3c21,ClCCl,411.0
7130,CCn1c2cc(C(C)(C)C)ccc2c2c3nsnc3c3c4ccc(C(C)(C)C)cc4n(CC)c3c21,ClCCl,430.0
7131,CCn1c2cc(OC)ccc2c2c3nsnc3c3c4ccc(OC)cc4n(CC)c3c21,CN(C)C=O,445.0
7131,CCn1c2cc(OC)ccc2c2c3nsnc3c3c4ccc(OC)cc4n(CC)c3c21,Cc1ccccc1,439.0
7131,CCn1c2cc(OC)ccc2c2c3nsnc3c3c4ccc(OC)cc4n(CC)c3c21,ClCCl,440.0
7165,CCn1c2ccccc2c2c3nsnc3c3c4ccccc4n(CC)c3c21,CN(C)C=O,420.0
7165,CCn1c2ccccc2c2c3nsnc3c3c4ccccc4n(CC)c3c21,Cc1ccccc1,420.0
7165,CCn1c2ccccc2c2c3nsnc3c3c4ccccc4n(CC)c3c21,ClCCl,420.0
9721,COc1ccc2c(c1)[nH]c1c3[nH]c4cc(OC)ccc4c3c3nsnc3c21,CN(C)C=O,436.0
9721,COc1ccc2c(c1)[nH]c1c3[nH]c4cc(OC)ccc4c3c3nsnc3c21,Cc1ccccc1,425.0
9721,COc1ccc2c(c1)[nH]c1c3[nH]c4cc(OC)ccc4c3c3nsnc3c21,ClCCl,430.0
15425,c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3nsnc3c21,Cc1ccccc1,410.0
15425,c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3nsnc3c21,ClCCl,410.0
15425,c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3nsnc3c21,CN(C)C=O,410.0
7130,CCn1c2cc(C(C)(C)C)ccc2c2c3nsnc3c3c4ccc(C(C)(C)C)cc4n(CC)c3c21,CN(C)C=O,430.0
7130,CCn1c2cc(C(C)(C)C)ccc2c2c3nsnc3c3c4ccc(C(C)(C)C)cc4n(CC)c3c21,Cc1ccccc1,425.0
1180,CC(C)(C)c1ccc2c(c1)[nH]c1c3[nH]c4cc(C(C)(C)C)ccc4c3c3nsnc3c21,CN(C)C=O,412.0
1256,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3ccc(C#Cc4ccc(C=C(C#N)C(=O)O)cc4)cc3n(-c3ccc(C(F)(F)F)cc3)c2c1,ClCCl,395.0
3432,CCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6cccs6)=C5C(=O)N4CC(CC)CCCC)s3)ccc21,ClCCl,576.0
13001,N#Cc1c(N2CCCCC2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c2c1Cc1ccccc1-2,C1CCOC1,344.0
5313,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)o4)cc3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1,ClCCl,525.0
5314,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)o4)cc3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,514.0
5439,CCCCOC(=O)/C=C/c1cc(C(=O)OC)c2c3ccccc3ccn12,ClCCl,381.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CCCCCO,356.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CCCO,342.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CN(C)C=O,357.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CO,351.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CS(C)=O,360.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CC#N,349.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CC(C)=O,350.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CCCCCCCC,354.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CCCCCCCCCCO,360.0
251,C(=C/c1cccc2ccccc12)\c1ccc(-c2nnc(-c3ccc(-c4cc5ccccc5s4)cc3)o2)cc1,CCCCCCCCO,359.0
277,C(=C/c1nc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,ClCCl,383.0
277,C(=C/c1nc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,381.0
277,C(=C/c1nc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,CC#N,376.0
277,C(=C/c1nc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,Cc1ccccc1,389.0
11627,Cc1ccnc(-c2cc(/C=C/c3ccc(N4CCCC4)cc3)ccn2)c1,ClCCl,334.0
8755,COc1cc(N2CCCC2)c(OC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,ClCCl,407.0
6508,CCOC(=O)/C(=C/c1ccc(N2CCOCC2)cc1)n1nnc2ccccc21,CO,372.0
11461,Cc1ccc2c3ccc(C)cc3c3cc4c(C)cc(=O)oc4cc3c2c1,ClC(Cl)Cl,386.0
10624,Cc1cc(=O)oc2cc3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc4c3cc12,ClC(Cl)Cl,385.0
10625,Cc1cc(=O)oc2cc3c4ccccc4c4ccccc4c3cc12,C1CCOC1,378.0
10625,Cc1cc(=O)oc2cc3c4ccccc4c4ccccc4c3cc12,CC#N,375.0
10625,Cc1cc(=O)oc2cc3c4ccccc4c4ccccc4c3cc12,CO,377.0
8871,COc1cc2c3cc(OC)c(OC)cc3c3cc4c(C)cc(=O)oc4cc3c2cc1OC,C1CCOC1,366.0
8871,COc1cc2c3cc(OC)c(OC)cc3c3cc4c(C)cc(=O)oc4cc3c2cc1OC,CO,364.0
8871,COc1cc2c3cc(OC)c(OC)cc3c3cc4c(C)cc(=O)oc4cc3c2cc1OC,CS(C)=O,370.0
8871,COc1cc2c3cc(OC)c(OC)cc3c3cc4c(C)cc(=O)oc4cc3c2cc1OC,Cc1ccccc1,366.0
8871,COc1cc2c3cc(OC)c(OC)cc3c3cc4c(C)cc(=O)oc4cc3c2cc1OC,ClC(Cl)Cl,368.0
10625,Cc1cc(=O)oc2cc3c4ccccc4c4ccccc4c3cc12,CS(C)=O,378.0
9776,COc1ccc2c3ccc(OC)cc3c3cc4c(C)cc(=O)oc4cc3c2c1,ClC(Cl)Cl,365.0
10625,Cc1cc(=O)oc2cc3c4ccccc4c4ccccc4c3cc12,Cc1ccccc1,381.0
10625,Cc1cc(=O)oc2cc3c4ccccc4c4ccccc4c3cc12,ClC(Cl)Cl,362.0
8774,COc1cc(OC)c2c(c1)c1cc3oc(=O)cc(C)c3cc1c1cc(OC)cc(OC)c12,ClC(Cl)Cl,390.0
3195,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c3ccccc3c(C#Cc3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,690.0
5454,CCCCOc1c(-c2c(OCCCC)c3oc4cc5ccccc5cc4c3c3ccccc23)c2ccccc2c2c1oc1cc3ccccc3cc12,C1CCOC1,366.0
8701,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,C1CCOC1,426.0
8701,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,CC#N,423.0
8701,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,ClC(Cl)Cl,430.0
8701,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,ClCCl,424.0
7258,CN(C)C(=O)c1ccc2c3c(=O)n4c(c=3c3ccc(C(=O)N(C)C)c1c23)=c1c2c3ccc(C(=O)N(C)C)c5c(C(=O)N(C)C)ccc(c=2c(=O)n1C4)c53,Cc1ccccc1,617.0
12074,F[B-]1(F)n2c(NCc3ccccc3)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,CO,579.0
12074,F[B-]1(F)n2c(NCc3ccccc3)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,ClCCl,581.0
12907,N#CSC1=CC2=C(c3c(Cl)cccc3Cl)c3cc(SC#N)c(NCc4ccccc4)n3[B-](F)(F)[N+]2=C1NCc1ccccc1,CC#N,638.0
12907,N#CSC1=CC2=C(c3c(Cl)cccc3Cl)c3cc(SC#N)c(NCc4ccccc4)n3[B-](F)(F)[N+]2=C1NCc1ccccc1,CCCCCC,644.0
12907,N#CSC1=CC2=C(c3c(Cl)cccc3Cl)c3cc(SC#N)c(NCc4ccccc4)n3[B-](F)(F)[N+]2=C1NCc1ccccc1,CCOC(C)=O,641.0
12907,N#CSC1=CC2=C(c3c(Cl)cccc3Cl)c3cc(SC#N)c(NCc4ccccc4)n3[B-](F)(F)[N+]2=C1NCc1ccccc1,CO,635.0
12907,N#CSC1=CC2=C(c3c(Cl)cccc3Cl)c3cc(SC#N)c(NCc4ccccc4)n3[B-](F)(F)[N+]2=C1NCc1ccccc1,ClCCl,642.0
12074,F[B-]1(F)n2c(NCc3ccccc3)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,CC#N,578.0
12074,F[B-]1(F)n2c(NCc3ccccc3)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,CCCCCC,581.0
12074,F[B-]1(F)n2c(NCc3ccccc3)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,CCOC(C)=O,580.0
7699,CN(C)c1ccc2c(c1)OC(c1ccccc1)=C/C2=C\C=C\C=C\c1cc(-c2ccccc2)[o+]c2cc(N(C)C)ccc12,ClCCl,862.0
11596,Cc1ccccc1C1=C2C=CC(=[NH2+])C=C2[Si](C)(C)c2cc(N)ccc21,O,593.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,C1CCCCC1,434.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,C1CCOC1,437.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,C1COCCO1,436.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,CC#N,434.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,CC(C)=O,435.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,CO,444.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,Cc1ccccc1,441.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,ClC(Cl)Cl,441.0
14180,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,ClCCl,437.0
4319,CCCCCCOc1ccc(C(c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)cc2)c2ccc3c(c2)Sc2cc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)s5)cc4)ccc2N3CCCCCC)cc1,C1CCOC1,490.0
5117,CCCCCCn1c2ccccc2c2cc(/C=C(/C#N)c3ccc(C=C4C(=O)NC(=O)NC4=O)s3)ccc21,ClC(Cl)Cl,524.0
4571,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(C=C(C#N)C(=O)O)c4c3OCCO4)c3nsnc23)cc1,ClCCl,566.0
7840,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)cc1,CS(C)=O,430.0
7841,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)cc2)cc1,CS(C)=O,432.0
7842,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)cc1,CS(C)=O,430.0
7843,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)cc1,CS(C)=O,432.0
7844,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)cc1,CS(C)=O,429.0
7845,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1,CS(C)=O,431.0
7846,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1,CS(C)=O,432.0
7848,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)o3)cc2)cc1,CS(C)=O,431.0
7849,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2)cc1,CS(C)=O,431.0
7850,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1,CS(C)=O,431.0
6952,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3cc4c(-c5ccccc5C(=O)O)c5ccc(=[N+](CC)CC)cc-5oc4cc3oc-2c1,ClC(Cl)Cl,598.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,C1CCOC1,400.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CC#N,402.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CC(C)OC(C)C,391.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CCCCOCCCC,393.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CCO,405.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CCOC(C)=O,398.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CN(C)C=O,409.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,Cc1ccccc1,398.0
13965,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,ClCCl,401.0
15011,c1ccc(-c2ccnc(-c3ccccc3)n2)cc1,ClC(Cl)Cl,278.0
2104,CC1=CC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C/C(=C2/NC=C(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)O2)C1=O,Cc1ccccc1,378.0
3547,CCCCCCCCOc1ccc(C#Cc2ccc3c(c2)c2ccccc2n3CCCCCCCC)c(OCCCCCCCC)c1,ClCCl,319.0
5654,CCCCn1c(-c2ccc(-c3nnc(-c4cccs4)o3)cc2)nc2c3ccccc3c3ccccc3c21,ClCCl,363.0
5398,CCCCN1c2ccccc2Sc2cc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)ccc21,ClCCl,471.0
9358,COc1ccc(C#Cc2nc3ccccc3nc2-c2csc(OC)c2)cc1,ClCCl,410.0
14833,c1cc(-c2ccc3c(c2)CCCO3)ccc1-c1ccc2c(c1)CCCO2,C1CCCCC1,295.0
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,C1COCCO1,424.9893753
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CC#N,423.0118443
1693,CC1(C)CCc2c(c3ccccc3c3nc4ccccc4nc23)O1,C1CCCCC1,429.9226139
1693,CC1(C)CCc2c(c3ccccc3c3nc4ccccc4nc23)O1,C1CCOC1,434.0277778
1693,CC1(C)CCc2c(c3ccccc3c3nc4ccccc4nc23)O1,CN(C)C=O,438.9815628
1693,CC1(C)CCc2c(c3ccccc3c3nc4ccccc4nc23)O1,CO,434.9717268
1693,CC1(C)CCc2c(c3ccccc3c3nc4ccccc4nc23)O1,ClC(Cl)Cl,437.0629371
1693,CC1(C)CCc2c(c3ccccc3c3nc4ccccc4nc23)O1,c1ccccc1,431.0344828
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,ClC(Cl)Cl,426.9854825
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,c1ccccc1,423.0118443
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,C1CCCCC1,423.0118443
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,C1CCOC1,426.9854825
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CC(C)O,423.0118443
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CCCCCC,422.1190376
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CN(C)C=O,423.0118443
1715,CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CO,424.9893753
1583,CC1(C)C(/C=C/C=C/C=C/C=C2/N(c3ccc(S(=O)(=O)[O-])cc3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](c2ccc(S(=O)(=O)[O-])cc2)c2ccc(S(=O)(=O)[O-])cc21,CO,759.0
1583,CC1(C)C(/C=C/C=C/C=C/C=C2/N(c3ccc(S(=O)(=O)[O-])cc3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](c2ccc(S(=O)(=O)[O-])cc2)c2ccc(S(=O)(=O)[O-])cc21,O,754.0
7753,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1,CC#N,655.0
7753,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1,CCO,655.0
7753,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1,O,664.0
7753,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1,OCC(O)CO,662.0
11441,Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)Sc1ccccc1P2(=S)c1ccccc1,Cc1ccccc1,311.2466125
12914,N#Cc1c(-c2ccc(-c3ccccc3)cc2)c(N)n2ccccc12,CN(C)C=O,398.0
15347,c1ccc2c(-c3cc(-c4nccs4)nc(-c4nccs4)c3)cccc2c1,CC#N,324.0
15347,c1ccc2c(-c3cc(-c4nccs4)nc(-c4nccs4)c3)cccc2c1,CCCCCC,325.0
15347,c1ccc2c(-c3cc(-c4nccs4)nc(-c4nccs4)c3)cccc2c1,CO,325.0
15347,c1ccc2c(-c3cc(-c4nccs4)nc(-c4nccs4)c3)cccc2c1,ClC(Cl)Cl,330.0
13992,O=C1OC(=O)C2=C1S[C@]13C2=C[C@H](c2ccccc21)c1ccccc13,ClCCl,421.0
4079,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc4c(c3)-c3ccccc3C4(CCCCCC)CCCCCC)ccc21,ClCCl,465.0
14065,O=C1c2ccccc2-c2ccc(Nc3nc(Cl)nc(Cl)n3)c3cccc1c23,CC(C)=O,405.0222762
14065,O=C1c2ccccc2-c2ccc(Nc3nc(Cl)nc(Cl)n3)c3cccc1c23,CC(C)O,411.8616145
14065,O=C1c2ccccc2-c2ccc(Nc3nc(Cl)nc(Cl)n3)c3cccc1c23,CCCCOCCCC,400.9623095
14065,O=C1c2ccccc2-c2ccc(Nc3nc(Cl)nc(Cl)n3)c3cccc1c23,CCOC(C)=O,403.0632809
14065,O=C1c2ccccc2-c2ccc(Nc3nc(Cl)nc(Cl)n3)c3cccc1c23,CO,410.0041
14065,O=C1c2ccccc2-c2ccc(Nc3nc(Cl)nc(Cl)n3)c3cccc1c23,Cc1ccccc1,411.0152076
14065,O=C1c2ccccc2-c2ccc(Nc3nc(Cl)nc(Cl)n3)c3cccc1c23,Clc1ccccc1,410.0041
14065,O=C1c2ccccc2-c2ccc(Nc3nc(Cl)nc(Cl)n3)c3cccc1c23,O=C1CCCCC1,410.0041
10011,COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CC(C)O,421.9409283
10011,COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CCCCOCCCC,421.9409283
10011,COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CCOC(C)=O,418.9359028
10011,COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CO,419.9916002
10011,COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,Cc1ccccc1,426.9854825
10011,COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CC#N,413.9072848
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,CC#N,407.000407
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,CC(C)=O,410.0041
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,CC(C)O,417.0141785
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,CCOC(C)=O,411.0152076
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,CO,414.9377593
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,Cc1ccccc1,419.9916002
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,Clc1ccccc1,418.0602007
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,N#Cc1ccccc1,415.9733777
10007,COc1nc(Cl)nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1,O=C1CCCCC1,414.9377593
12591,N#C/C(=C\c1ccc2c(c1)Sc1ccccc1N2CCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,C1CCOC1,435.0
12591,N#C/C(=C\c1ccc2c(c1)Sc1ccccc1N2CCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,399.0
12309,N#C/C(=C/c1ccc2c(c1)Sc1ccccc1N2CCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,417.0
5109,CCCCCCn1c2ccccc2c2cc(-c3ccc(N(c4ccc(-c5cc6c(s5)-c5sc(/C=C(\C#N)C(=O)O)cc5C6(CCCCCC)CCCCCC)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)ccc21,ClCCl,551.0
9284,COc1ccc(/C=C/c2ccc(/C=C/c3cc[n+]4ccc(/C=C/c5ccc(/C=C/c6ccc(OC)cc6)cc5)cc4c3)cc2)cc1,CO,463.0
12822,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2,CC(C)=O,485.0
12822,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2,CCOC(C)=O,482.0
12822,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2,CN(C)C=O,493.0
12822,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2,CO,490.0
12822,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2,Cc1ccccc1,493.0
12822,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2,ClC(Cl)Cl,502.0
12822,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2,C1CCOC1,485.0
12822,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2,CC#N,486.0
3832,CCCCCCCCn1c2ccccc2c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc3sc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)cc3c21,ClC(Cl)Cl,492.0
5948,CCN(CC)c1ccc(-c2nc(Oc3ccc(-c4nc5ccc(Cl)cc5o4)cc3)nc(Oc3ccc(-c4nc5ccc(Cl)cc5o4)cc3)n2)cc1,CN(C)C=O,393.0
13946,O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3,C1CCOC1,337.2954616
13946,O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3,CC#N,335.3284223
13946,O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3,CCCCCCO,343.2296576
13946,O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3,CCO,338.8647643
13946,O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3,CCOC(C)=O,335.8438365
13946,O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3,CS(C)=O,340.3426791
13946,O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3,O,341.0864814
13946,O=C1CCCc2c1[nH]c1cc3c(cc21)OCO3,c1ccccc1,339.2857143
3526,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5c(F)c(F)c(-c6ccc(C=C(C#N)C(=O)O)s6)c6nsnc56)sc3-4)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3-c3ccc(OCCCCCCCC)cc3OCCCCCCCC)cc2)c(OCCCCCCCC)c1,ClCCl,611.0
3528,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)c6nsnc56)sc3-4)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3-c3ccc(OCCCCCCCC)cc3OCCCCCCCC)cc2)c(OCCCCCCCC)c1,ClCCl,616.0
6398,CCN1CCN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)CC1,ClC(Cl)Cl,619.0
8020,CN1CCN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)CC1,CCO,611.0
8020,CN1CCN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)CC1,ClC(Cl)Cl,619.0
10124,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,CCO,608.0
10124,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,626.0
69,C#CCN1CCN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)CC1,CCO,614.0
69,C#CCN1CCN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)CC1,ClC(Cl)Cl,629.0
6398,CCN1CCN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)CC1,CCO,612.0
17,Brc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(Br)cc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,425.0
240,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,406.0
240,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CS(C)=O,414.0
240,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,410.5
12931,N#Cc1c(-c2n[nH]c3ccccc23)c(N)n2ccccc12,CN(C)C=O,399.0
10897,Cc1ccc(-c2c3cc(N(C)C)ccc3nn2C)s1,CC#N,362.0
10897,Cc1ccc(-c2c3cc(N(C)C)ccc3nn2C)s1,ClCCl,364.0
9861,COc1ccc2nn(C)c(-c3ccc(C)s3)c2c1,CC#N,332.0
9861,COc1ccc2nn(C)c(-c3ccc(C)s3)c2c1,ClCCl,334.0
10907,Cc1ccc(-c2c3ccccc3nn2C)s1,CC#N,326.0
710,CC(=O)c1ccc2nn(C)c(-c3ccc(C)s3)c2c1,CC#N,348.0
710,CC(=O)c1ccc2nn(C)c(-c3ccc(C)s3)c2c1,ClCCl,351.0
677,CC(=O)c1ccc(-c2c3cc([N+](=O)[O-])ccc3nn2C)s1,CC#N,385.0
677,CC(=O)c1ccc(-c2c3cc([N+](=O)[O-])ccc3nn2C)s1,ClCCl,385.0
712,CC(=O)c1ccc2nn(C)c(-c3ccc(C=O)s3)c2c1,CC#N,357.0
712,CC(=O)c1ccc2nn(C)c(-c3ccc(C=O)s3)c2c1,ClCCl,358.0
7755,CN(C)c1ccc2nn(C)c(-c3ccc(C=C(C#N)C#N)s3)c2c1,ClCCl,535.0
9863,COc1ccc2nn(C)c(-c3ccc(C=O)s3)c2c1,CC#N,381.0
7757,CN(C)c1ccc2nn(C)c(-c3ccc(C=O)s3)c2c1,ClCCl,436.0
9863,COc1ccc2nn(C)c(-c3ccc(C=O)s3)c2c1,ClCCl,388.0
10907,Cc1ccc(-c2c3ccccc3nn2C)s1,ClCCl,327.0
8071,CNC(=O)c1ccc(-c2c3ccccc3nn2C)s1,CC#N,339.0
8071,CNC(=O)c1ccc(-c2c3ccccc3nn2C)s1,ClCCl,343.0
7917,CN1/C(=C/C2=C([O-])C(=O)C2=C2C(=O)NC(=O)NC2=O)C(C)(C)c2ccccc21,CCO,457.0
9629,COc1ccc(N2c3ccccc3Oc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,C1CCOC1,458.0
4608,CCCCCCOc1ccc(N2c3ccccc3Oc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,ClCCl,486.0
9630,COc1ccc(N2c3ccccc3Oc3cc(C(C#N)C(=O)O)ccc32)cc1,ClCCl,484.0
4622,CCCCCCOc1ccc2c(c1)Oc1cc(/C=C(\C#N)C(=O)O)ccc1N2c1ccc(OC)cc1,ClCCl,500.0
9624,COc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Oc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,C1CCOC1,498.0
12709,N#CC(=Cc1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,417.0
3262,CCCCCCCCCCCCn1c(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClC(Cl)Cl,426.0
12153,F[Si](c1ccccc1)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,397.0
13481,O=C(CCCCCCNCC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)ON1C(=O)C=CC1=O,O,494.0
10554,Cc1cc(/C=C/c2ccc3c4c(cccc24)CC3)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,575.0
5895,CCCc1ccc2c(c1)cc1n2B2c3c4c-1cccc4cc1cccc(c31)-c1cc3cc(CCC)ccc3n12,ClCCl,537.0
5895,CCCc1ccc2c(c1)cc1n2B2c3c4c-1cccc4cc1cccc(c31)-c1cc3cc(CCC)ccc3n12,C1CCOC1,537.0
10357,Cc1c2c(c(C)c3ccccc13)C1=C2C=CC2Nc3ccccc3NC12,ClC(Cl)Cl,437.0
1142,CC(C)(C)c1ccc(Oc2c3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)c(Oc7ccc(C(C)(C)C)cc7)c7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c(c2Oc2ccc(C(C)(C)C)cc2)c45)c86)C(=O)OC7=O)C(=O)OC3=O)cc1,ClC(Cl)Cl,571.0
5496,CCCCOc1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccccc2)=C2/C=CC(=N2)/C=4C=CC(=O)O)cc1,CCO,430.0
3542,CCCCCCCCOc1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccccc2)=C2/C=CC(=N2)/C=4C=CC(=O)O)cc1,CCO,430.0
13544,O=C(O)C=C/C1=c2\cc/c3n2[Zn]n2c(ccc2/C(c2ccccc2)=C2/C=CC(=N2)/C=3c2ccccc2)/C(c2ccccc2)=C2/C=CC1=N2,CCO,428.0
2055,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)s1)c1c(C)cc(C)n1[B-]2(F)F,CO,512.0
2055,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)s1)c1c(C)cc(C)n1[B-]2(F)F,Cc1ccccc1,518.0
2055,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)s1)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,515.0
2783,CCCCC1(CCCC)c2ccccc2-c2ccc(-c3c4c(nc5ccccc35)-c3cc5c(cc3CC4)-c3nc4ccccc4c(-c4ccc6c(c4)C(CCCC)(CCCC)c4ccccc4-6)c3CC5)cc21,ClC(Cl)Cl,377.0
8537,COCC[N+]1=C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCS(=O)(=O)[O-])C(C)(CCCS(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])ccc21,O,747.0
6979,CC[N+]1=C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,CO,751.0
6979,CC[N+]1=C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,745.0
1578,CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc21,CO,753.0
1578,CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc21,O,748.0
1582,CC1(C)C(/C=C/C=C/C=C/C=C2/N(S(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](S(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21,CO,755.0
6329,CCN1/C(=C\C=C\C=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CCO,743.0
5259,CCCCN(CCCC)c1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
7656,CN(C)c1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6483,CCNc1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,500.0
6284,CCN(CCCN(C)C)c1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
13363,Nc1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,495.0
9513,COc1ccc(CN(C(=O)c2ccc(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)cc2)C(C(=O)NC(C)(C)C)c2ccccc2)cc1,C1CCOC1,502.0
14726,S=C1CCCCC1,CCO,495.0
10127,C[N+]1=C(/C=C/C2=C3Oc4c(cc5c6c4CCCN6CCC5)C(c4ccccc4C(=O)O)=C3CCC2)C(C)(C)c2ccccc21,CC#N,724.0
10127,C[N+]1=C(/C=C/C2=C3Oc4c(cc5c6c4CCCN6CCC5)C(c4ccccc4C(=O)O)=C3CCC2)C(C)(C)c2ccccc21,CCO,710.0
10127,C[N+]1=C(/C=C/C2=C3Oc4c(cc5c6c4CCCN6CCC5)C(c4ccccc4C(=O)O)=C3CCC2)C(C)(C)c2ccccc21,CO,714.0
10127,C[N+]1=C(/C=C/C2=C3Oc4c(cc5c6c4CCCN6CCC5)C(c4ccccc4C(=O)O)=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,730.0
1997,CC1=CC(=C(c2cc(C)c(O)c(CN(C(=O)O)C(=O)O)c2)c2ccccc2S(=O)(=O)O)C=C(CN(C(=O)O)C(=O)O)C1=O,CC(=O)O,430.0
7524,CN(C)c1ccc(C(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c2ccc(C=C(C#N)C(=O)O)cc2)cc1,CO,503.0
7523,CN(C)c1ccc(C(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c2ccc(C(=O)O)cc2)cc1,CO,490.0
14160,O=Cc1cnc(-c2c3ccccc3cc3ccccc23)nc1,CCO,381.0
14160,O=Cc1cnc(-c2c3ccccc3cc3ccccc23)nc1,ClCCl,384.0
13208,N#Cc1cnc(-c2c3ccccc3cc3ccccc23)nc1,CCO,382.0
13208,N#Cc1cnc(-c2c3ccccc3cc3ccccc23)nc1,ClCCl,385.0
381,C/N=N/C,CCO,340.0
6934,CCSSCC,CCCCCC,250.0
12251,II,CCCCCCC,522.5688073
12251,II,ClC(Cl)(Cl)Cl,516.4525994
12252,I[I-]I,O,351.7697027
877,CC(C)(C)[N+](=O)[O-],CCO,276.0
2631,CCCCC(CC)CO[N+](=O)[O-],CO,218.0
2631,CCCCC(CC)CO[N+](=O)[O-],O,198.0
1322,CC(C)=C(C)C,CCCCCCC,196.0
1326,CC(C)=NO,CCO,193.0
1327,CC(C)=N[O-],CCO,265.0
1328,CC(C)=O,CCCCCC,279.0
5785,CCCN(CCC)CCC,CCCCCC,199.0
7100,CCl,CCCCCC,173.0
1532,CC(N)=O,O,220.0
13240,N=C(N)N,O,265.0
7250,CI,CCCCCC,259.0
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,C1COCCO1,317.3
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,CCCCCC,313.5
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,CCCCCCCCCC,315.3
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,CCCCO,315.2
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,CCO,313.8
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,CCOCC,313.5
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,CO,313.0
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,ClC(Cl)Cl,319.6
1539,CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O,c1ccccc1,320.0
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,C1COCCO1,322.7
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,CCCCCC,318.9
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,CCCCCCCCCC,320.8
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,CCCCO,320.6
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,CCO,319.2
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,CCOCC,318.8
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,CO,318.6
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,ClC(Cl)Cl,324.8
653,CC(=O)[O-],CCO,634.0
653,CC(=O)[O-],O,210.0
567,CC#CCCCCC,CCCCCC,178.0
1540,CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O,c1ccccc1,325.3
6457,CCN=C=S,CCCCCC,250.0
6458,CCNCC,CCCCCC,193.0
2490,CCCBr,CCCCCC,208.0
7250,CI,CN1CCCC1=O,535.6
8107,CO,CCCCCC,177.0
480,C=C,CCCCCCC,162.0
1090,CC(C)(C)c1ccc(C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)S(=O)(=O)c3c2sc(-c2ccc(N(c4ccccc4)c4ccccc4)cc2)c3-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,463.0
2341,CCC1(CC)c2cc(Br)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(-c4cccs4)ccc2-3)C(CC)(CC)c2cc(Br)ccc2-1,C1CCOC1,336.0
8206,COC(=O)CCC1=CC(C#Cc2cccs2)=[N+]2C1=Cc1c(CCC(=O)OC)cc(C#Cc3cccs3)n1[B-]2(F)F,ClCCl,649.0
969,CC(C)(C)c1cc2c3c(c1)-c1cccc4c1N(B3N1c3ccccc3Sc3cccc-2c31)c1ccccc1S4,C1CCOC1,381.0
969,CC(C)(C)c1cc2c3c(c1)-c1cccc4c1N(B3N1c3ccccc3Sc3cccc-2c31)c1ccccc1S4,ClCCl,381.0
1391,CC(C)[Si](C#Cc1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)sc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)sc12)(C(C)C)C(C)C,C1CCOC1,476.0
4171,CCCCCCOc1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)sc2c(OCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)sc12,C1CCOC1,477.0
14928,c1ccc(-c2c3c(cc4c2-c2ccccc2C4)-c2ccccc2C3)cc1,C1CCCCC1,331.0
13317,Nc1cc[nH]c(=S)n1,CC#N,283.0
13317,Nc1cc[nH]c(=S)n1,CCO,280.0
13317,Nc1cc[nH]c(=S)n1,CCOC(C)=O,286.0
13317,Nc1cc[nH]c(=S)n1,CO,278.0
13317,Nc1cc[nH]c(=S)n1,CS(C)=O,285.0
13317,Nc1cc[nH]c(=S)n1,O,269.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CC#N,426.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CC(C)(C)O,420.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CC(C)=O,418.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CC(C)O,432.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CCCCO,433.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CO,434.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CS(C)=O,438.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,ClC(Cl)Cl,433.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,430.0
7416,CN(C)c1ccc(/C=C/C=N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,O,420.0
1620,CC1(C)C2=CC(=[NH2+])C=CC2=C(c2ccccc2C(=O)[O-])c2ccc(N)cc21,O,552.0
2507,CCCC1(CCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccccc5)ccc3-4)cc21,C1CCCCC1,346.0
2502,CCCC1(CCC)c2cc(-c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21,C1CCCCC1,350.0
8482,COCCC1(CCOC)c2cc(-c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCOC)(CCOC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21,CN(C)C=O,360.0
2498,CCCC1(CCC)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(C(C)(C)C)cc5)ccc3-4)cc21,C1CCCCC1,346.0
4749,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)Sc3ccccc3N4C[C@@H](CC)CCCC)c3nsnc23)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,420.0
5632,CCCCn1c(-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)s2)nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21,C1CCOC1,428.0
3795,CCCCCCCCn1c(=O)/c(=c2\c(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)sc(=O)n2CC(=O)O)s/c1=C1/SC(=S)N(c2ccccc2)C1=O,ClC(Cl)Cl,570.0
11030,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2\N=C(/C=4c3ccc(C)cc3)c3onc(-c4c(Cl)cccc4Cl)c32)cc1,CCO,613.0
11040,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2\N=C(/C=4c3ccc(C(=O)O)cc3)c3onc(-c4c(Cl)cccc4Cl)c32)cc1,CCO,612.0
15306,c1ccc(N2N=C(c3cccc4ccccc34)CC2c2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,391.0
14856,c1cc2c3c(cccc3c1)-c1c-2c2ccccc2c2ccccc12,CCCCCCC,397.0
4873,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1sc(-c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1CCCCCC,C1CCOC1,417.0
1068,CC(C)(C)c1ccc(-n2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCOC1,465.0
15444,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)nc3-n3c4ccccc4c4ccccc43)nn2)c(-n2c3ccccc3c3ccccc32)n1,CC#N,336.0
15444,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)nc3-n3c4ccccc4c4ccccc43)nn2)c(-n2c3ccccc3c3ccccc32)n1,Cc1ccccc1,348.0
15444,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)nc3-n3c4ccccc4c4ccccc43)nn2)c(-n2c3ccccc3c3ccccc32)n1,ClCCl,341.0
5904,CCCn1c2cccc3oc4cccc5c4[c+](c32)c2c1cccc2n5CCC,CC#N,557.0
5904,CCCn1c2cccc3oc4cccc5c4[c+](c32)c2c1cccc2n5CCC,ClCCl,560.0
758,CC(C)(C)C1=CC(=C(c2ccc(C=C(C#N)C(=O)O)s2)c2ccc(/C=C(/C#N)C(=O)O)s2)C=C(C(C)(C)C)O1,ClCCl,534.0
759,CC(C)(C)C1=CC(=C(c2ccc(C=C(C#N)C(=O)O)s2)c2ccc(C(C)(C)C)s2)C=C(C(C)(C)C)O1,ClCCl,552.0
760,CC(C)(C)C1=CC(=C(c2ccc(C=O)s2)c2ccc(C=C(C#N)C(=O)O)s2)C=C(C(C)(C)C)O1,ClCCl,534.0
761,CC(C)(C)C1=CC(=C(c2cccs2)c2ccc(C=C(C#N)C(=O)O)s2)C=C(C(C)(C)C)O1,ClCCl,547.0
7525,CN(C)c1ccc(C(=C2C=C(C(C)(C)C)OC(C(C)(C)C)=C2)c2ccc(C=C(C#N)C(=O)O)s2)s1,ClCCl,562.0
14254,O=S1(=O)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)C1(C3=C(c4ccccc41)S(=O)(=O)c1cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc12,C1CCOC1,443.0
14254,O=S1(=O)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)C1(C3=C(c4ccccc41)S(=O)(=O)c1cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc12,CC#N,446.0
14254,O=S1(=O)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)C1(C3=C(c4ccccc41)S(=O)(=O)c1cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc12,CCCCCC,434.0
14254,O=S1(=O)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)C1(C3=C(c4ccccc41)S(=O)(=O)c1cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc12,Cc1ccccc1,450.0
14254,O=S1(=O)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)C1(C3=C(c4ccccc41)S(=O)(=O)c1cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc12,ClCCl,451.0
15334,c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1,CC#N,342.0
15334,c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1,ClCCl,343.0
15488,c1ccc2c[n+]3ccccc3cc2c1,O,396.0
11788,Clc1ccc2cc3cccc[n+]3cc2c1,O,400.0
9829,COc1ccc2cc3cccc[n+]3cc2c1,O,406.0
12229,Fc1ccc2cc3cccc[n+]3cc2c1,O,400.0
12178,Fc1cc(F)c2cc3cccc[n+]3cc2c1,O,407.0
5685,CCCCn1c2cc(-c3ccc(-c4cccnc4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,396.0
6880,CCO[Si](OCC)(c1ccccc1)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1,CC#N,423.0
6881,CCO[Si](OCC)(c1ccccc1)c1ccc(N=Nc2ccccc2)cc1,CC#N,444.0
2663,CCCCC(CC)COc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nsnc45)cc32)cc1,C1CCOC1,461.0
12670,N#CC(=Cc1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3nsnc23)s1)C(=O)O,C1CCOC1,459.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,O=C(O)C(F)(F)F,398.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,OC(C(F)(F)F)C(F)(F)F,345.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,OCC(F)(F)F,350.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,OCCO,357.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CCOCC,358.0
14640,Oc1ccc(Cl)cc1/C=N/N=C/c1cc(Cl)ccc1O,C1CCOC1,367.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,363.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,C1CCOC1,357.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CC#N,355.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CCCCCC,361.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CCCCCCCCC,362.0
9308,COc1ccc(/C=N/N=C/c2ccc(OC)cc2O)c(O)c1,C1CCOC1,368.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CCCCCCCCCCCCCCCC,363.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CCCCl,359.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CCN(CC)CC,359.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CCO,356.0
14706,Oc1ccccc1/C=N/N=C/c1ccccc1O,CO,355.0
12771,N#CC(=Cc1ccc(C=Cc2ccc(N3c4ccccc4CCc4ccccc43)cc2)s1)C(=O)O,ClCCl,467.0
12294,N#C/C(=C/c1ccc(/C=C/c2ccc(N3c4ccccc4CCc4ccccc43)cc2)s1)C(=O)O,ClCCl,467.0
12766,N#CC(=Cc1ccc(C=Cc2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)s1)C(=O)O,ClCCl,464.0
2312,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)c4ccc(C=C(C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,505.0
2312,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)c4ccc(C=C(C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,500.0
5132,CCCCCCn1c2ccccc2c2cc(N3c4ccccc4Sc4cc(/C=C5\SC(=S)N(CC(=O)O)C5=O)ccc43)ccc21,ClCCl,500.0
5768,CCCCn1c2ccccc2c2cc(N3c4ccccc4Sc4cc(/C=C5\SC(=S)N(CC(=O)O)C5=O)ccc43)ccc21,ClCCl,501.0
3852,CCCCCCCCn1c2ccccc2c2cc(N3c4ccccc4Sc4cc(/C=C5\SC(=S)N(CC(=O)O)C5=O)ccc43)ccc21,ClCCl,500.0
12886,N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1,CS(C)=O,360.0
6553,CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc(C)cc1,CS(C)=O,365.0
6554,CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc([N+](=O)[O-])cc1,CS(C)=O,358.0
6555,CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1,CS(C)=O,364.0
11181,Cc1ccc(C2C(C#N)=C(N)n3c(=O)c4ccccc4c(=O)n32)cc1,CS(C)=O,351.0
12885,N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc([N+](=O)[O-])cc1,CS(C)=O,355.0
9167,COc1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(OC)cc5)o4)c(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4ccccc43)o2)cc1,Cc1ccccc1,371.0
11968,FC(F)(F)c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(C(F)(F)F)cc5)o4)c(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4ccccc43)o2)cc1,Cc1ccccc1,376.0
15127,c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccccc5)o4)c(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4ccccc43)o2)cc1,Cc1ccccc1,370.0
12585,N#C/C(=C\c1ccc2c(c1)Oc1ccccc1N2CCCCCCN1c2ccccc2Oc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,C1CCOC1,476.0
14485,O=c1c2ccccc2n2c3ccccc3c(=O)c3cc(-c4ccccc4)cc1c32,CC#N,447.0
14485,O=c1c2ccccc2n2c3ccccc3c(=O)c3cc(-c4ccccc4)cc1c32,CCCCCC,437.0
14485,O=c1c2ccccc2n2c3ccccc3c(=O)c3cc(-c4ccccc4)cc1c32,CCCCOCCCC,440.0
14485,O=c1c2ccccc2n2c3ccccc3c(=O)c3cc(-c4ccccc4)cc1c32,CCOC(C)=O,443.0
14485,O=c1c2ccccc2n2c3ccccc3c(=O)c3cc(-c4ccccc4)cc1c32,CN(C)C=O,450.0
14485,O=c1c2ccccc2n2c3ccccc3c(=O)c3cc(-c4ccccc4)cc1c32,Cc1ccccc1,445.7648546
1954,CC1=C(c2ccccc2)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,532.0
9391,COc1ccc(C2=C(C)C3=C(c4c(-c5ccccn5)nc5ccccn45)c4c(C)cc(C)n4[B-](F)(F)[N+]3=C2C)cc1,ClCCl,535.0
1948,CC1=C(c2ccc(N(C)C)cc2)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,538.0
12100,F[B-]1(F)n2c(cc3c4ccccc4[nH]c32)C(c2ccccc2)=C2C=c3c([nH]c4ccccc34)=[N+]21,ClCCl,607.0
14315,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,Cc1ccccc1,465.0
14315,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,ClCCl,472.0
14315,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,C1CCOC1,472.0
14315,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,CC#N,483.0
14315,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,CCCCCC,446.0
14315,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,CS(C)=O,481.0
10700,Cc1cc(C)c(B(c2ccccc2-n2c3ccccc3c3ccccc32)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,387.0
3466,CCCCCCCCOc1c(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc(-c2ccc(C3=C4C(=O)N(C[C@@H](CC)CCCC)C(c5ccc(-c6ccc(C(=O)O)cc6)s5)=C4C(=O)N3C[C@@H](CC)CCCC)s2)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,610.0
3465,CCCCCCCCOc1c(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc(-c2ccc(C3=C4C(=O)N(CC(CC)CCCC)C(c5ccc(-c6ccc(C(=O)O)cc6)s5)=C4C(=O)N3CC(CC)CCCC)s2)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,610.0
12269,N#C/C(=C/c1ccc(-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)c3nsnc23)s1)C(=O)O,C1CCOC1,455.0
15549,c1csc(-c2ccc(-c3cccs3)c3nsnc23)c1,ClC(Cl)Cl,445.0
15162,c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6cccnc6c6c7sc8ccccc8c7ccc65)c4)ccc32)cc1,ClCCl,365.0
4641,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(-c7ccc(/C=C(/C#N)C(=O)O)s7)s6)=C5C(=O)N4CC(CC)CCCC)s3)s2)S1,ClCCl,650.0
4642,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(-c7ccc(C=C(C#N)C#N)s7)s6)=C5C(=O)N4CC(CC)CCCC)s3)s2)S1,ClCCl,674.0
9592,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4nc5ccccc5c(=O)n4c3)cc2)cc1,ClCCl,361.0
14488,O=c1c2ccccc2nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn12,ClCCl,355.0
14175,O=P(c1ccccc1)(c1ccccc1)c1cccc(-n2c(-c3ccccc3P(=O)(c3ccccc3)c3ccccc3)nc3ccccc32)c1,ClCCl,300.0
13076,N#Cc1cc2nc3c(nc2cc1C#N)C1c2ccc(N(c4ccccc4)c4ccccc4)cc2C3c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,420.0
13076,N#Cc1cc2nc3c(nc2cc1C#N)C1c2ccc(N(c4ccccc4)c4ccccc4)cc2C3c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,428.0
13076,N#Cc1cc2nc3c(nc2cc1C#N)C1c2ccc(N(c4ccccc4)c4ccccc4)cc2C3c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,428.0
13076,N#Cc1cc2nc3c(nc2cc1C#N)C1c2ccc(N(c4ccccc4)c4ccccc4)cc2C3c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC#N,410.0
12661,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)s2)cc1)C(=O)O,C1CCOC1,434.0
12420,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)s2)cc1)C(=O)O,C1CCOC1,422.0
9561,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c(C)c4n(c3C)[B-](F)(F)[N+]3=C(C)C(c5ccc(C=C(C#N)C(=O)O)s5)=C(C)C3=C4C)s2)cc1,ClC(Cl)Cl,535.0
14032,O=C1c2cc3ccccc3cc2C2=Nc3cccc[n+]3[B-](F)(F)N12,ClCCl,396.0
3933,CCCCCCN(c1ccc(/C=C(\C#N)c2ccc(-c3ccc(/C=C4\SC(=S)N(CC(=O)O)C4=O)cc3)cc2)cc1)c1ccc(/C=C(\C#N)c2ccc(-c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)cc3)cc2)cc1,CN(C)C=O,458.0
9680,COc1ccc2c(-c3nc(-c4cccc(Br)c4)no3)cc(=O)oc2c1,CCO,259.0
9680,COc1ccc2c(-c3nc(-c4cccc(Br)c4)no3)cc(=O)oc2c1,ClC(Cl)Cl,360.0
9681,COc1ccc2c(-c3nc(-c4cccc(C)c4)no3)cc(=O)oc2c1,CCO,401.0
9681,COc1ccc2c(-c3nc(-c4cccc(C)c4)no3)cc(=O)oc2c1,ClC(Cl)Cl,403.0
9682,COc1ccc2c(-c3nc(-c4ccccc4)no3)cc(=O)oc2c1,CCO,344.0
9682,COc1ccc2c(-c3nc(-c4ccccc4)no3)cc(=O)oc2c1,ClC(Cl)Cl,345.0
9683,COc1ccc2c(-c3nc(-c4ccccc4Cl)no3)cc(=O)oc2c1,CCO,354.0
9683,COc1ccc2c(-c3nc(-c4ccccc4Cl)no3)cc(=O)oc2c1,ClC(Cl)Cl,355.0
9684,COc1ccc2c(-c3nc(-c4ccccc4F)no3)cc(=O)oc2c1,ClC(Cl)Cl,339.0
9684,COc1ccc2c(-c3nc(-c4ccccc4F)no3)cc(=O)oc2c1,CCO,333.0
6910,CCOc1ccc2c(-c3nc(-c4cccc(Br)c4)no3)cc(=O)oc2c1,CCO,388.0
6910,CCOc1ccc2c(-c3nc(-c4cccc(Br)c4)no3)cc(=O)oc2c1,ClC(Cl)Cl,403.0
6911,CCOc1ccc2c(-c3nc(-c4cccc(C)c4)no3)cc(=O)oc2c1,CCO,345.0
6911,CCOc1ccc2c(-c3nc(-c4cccc(C)c4)no3)cc(=O)oc2c1,ClC(Cl)Cl,322.0
6912,CCOc1ccc2c(-c3nc(-c4ccccc4)no3)cc(=O)oc2c1,CCO,388.0
6912,CCOc1ccc2c(-c3nc(-c4ccccc4)no3)cc(=O)oc2c1,ClC(Cl)Cl,392.0
6913,CCOc1ccc2c(-c3nc(-c4ccccc4Cl)no3)cc(=O)oc2c1,CCO,393.0
6913,CCOc1ccc2c(-c3nc(-c4ccccc4Cl)no3)cc(=O)oc2c1,ClC(Cl)Cl,394.0
6914,CCOc1ccc2c(-c3nc(-c4ccccc4F)no3)cc(=O)oc2c1,CCO,345.0
6914,CCOc1ccc2c(-c3nc(-c4ccccc4F)no3)cc(=O)oc2c1,ClC(Cl)Cl,393.0
12111,F[B-]1(F)n2c(ccc2-c2nc3ccccc3s2)C(c2ccccc2)=C2C=CC(c3nc4ccccc4s3)=[N+]21,ClC(Cl)Cl,623.0
11479,Cc1ccc2nc(-c3cc(-c4ccc(Cl)cc4)n(C)n3)c(NC(C)(C)C)n2c1,ClC(Cl)Cl,329.16
6617,CCOC(=O)CNc1c(-c2cc(-c3ccc(Cl)cc3)n(C)n2)nc2ccc(Cl)cn12,ClC(Cl)Cl,330.08
11919,Cn1nc(-c2nc3c(Br)cccn3c2NC(C)(C)C)cc1-c1ccc(Cl)cc1,ClC(Cl)Cl,322.53
11920,Cn1nc(-c2nc3c(Cl)cc(Cl)cn3c2NC(C)(C)C)cc1-c1ccc(Cl)cc1,ClC(Cl)Cl,330.0
11921,Cn1nc(-c2nc3ccc(Br)cn3c2NC(C)(C)C)cc1-c1ccc(Cl)cc1,ClC(Cl)Cl,328.92
11922,Cn1nc(-c2nc3ccc(Cl)cn3c2NC(C)(C)C)cc1-c1ccc(Cl)cc1,ClC(Cl)Cl,328.86
11923,Cn1nc(-c2nc3ccccn3c2NC(C)(C)C)cc1-c1ccc(Cl)cc1,ClC(Cl)Cl,317.3
11622,Cc1ccn2c(NC(C)(C)C)c(-c3cc(-c4ccc(Cl)cc4)n(C)n3)nc2c1,ClC(Cl)Cl,313.72
10746,Cc1cc(C)c(OP2(=O)c3cccc4cccc(c34)-c3cccc4cccc2c34)c(C)c1,ClCCl,351.0
14843,c1cc2c(C3SCCCS3)c3ccc(=[N+]4CCCCC4)cc-3oc2cc1N1CCCCC1,CO,583.6523539
4637,CCCCCCSC1=C(SCCCCCC)SC(=C2Cc3cc4nc(C#Cc5ccc(C(=O)O)cc5)c(C#Cc5ccc(C(=O)O)cc5)nc4cc3C2)S1,C1CCOC1,526.0
1109,CC(C)(C)c1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc(/C=C/C=C/C(=O)O)/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=C(/C=C/C=C/C(=O)O)C(=N2)/C=4)c2ccc(C(C)(C)C)cc2)cc1,CCO,441.0
1110,CC(C)(C)c1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=C(/C=C/C(=O)O)C(=N2)/C=4)c2ccc(C(C)(C)C)cc2)cc1,CCO,421.0
1111,CC(C)(C)c1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=C(/C=C/C=C/C(=O)O)C(=N2)/C=4)c2ccc(C(C)(C)C)cc2)cc1,CCO,422.0
14141,O=Cc1ccc(C#CC(C#Cc2ccc(C=O)o2)=Cc2ccc(C=C(C#Cc3ccc(C=O)o3)C#Cc3ccc(C=O)o3)cc2)o1,ClC(Cl)Cl,450.0
12511,N#C/C(=C\c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)s1)C(=O)O,ClCCl,476.0
14022,O=C1[C@H]2[C@@H]3C[C@@H](c4c3c(-c3ccccc3)c3ccccc3c4-c3ccccc3)[C@H]2C(=O)N1c1ccc2cc3ccccc3cc2c1,ClC(Cl)Cl,380.0
2984,CCCCCCCCC1(C=C2C(=O)NC(=O)NC2=O)C=CC(NC(=C2C(=O)NC(=O)NC2=O)c2ccccc2)=CC1,C1CCOC1,467.0
3680,CCCCCCCC[C@@]1(C=C2C(=O)NC(=O)NC2=O)C=CC(NC(=C2C(=O)NC(=O)NC2=O)c2ccccc2)=CC1,C1CCOC1,467.0
3911,CCCCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,423.0
3912,CCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,423.0
6134,CCN(CC)c1ccc2c(c1)O/C(=C\C=C\C=c1/cc3c(oc1=O)=CC(=[N+](CC)CC)C=C3)C=C2c1ccccc1C(=O)O,CO,652.0
3715,CCCCCCCC[Si]1(CCCCCCCC)c2cc(C#Cc3ccc(-n4c5ccccc5c5ccccc54)s3)sc2-c2sc(/C=C(\C#N)C(=O)O)cc21,C1CCOC1,450.0
272,C(=C/c1cnccn1)\c1ccc(N(c2ccccc2)c2ccc(/C=C/c3cnccn3)cc2)cc1,ClCCl,420.0
9366,COc1ccc(C(=Cc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)c2ccc(OC)cc2)cc1,C1CCOC1,421.0
9367,COc1ccc(C(=Cc2ccc(/C=C(\C#N)c3ccccc3)cc2)c2ccc(OC)cc2)cc1,C1CCOC1,388.0
9368,COc1ccc(C(=Cc2ccc(/C=C/c3ccc(C#N)cc3)cc2)c2ccc(OC)cc2)cc1,C1CCOC1,379.0
12537,N#C/C(=C\c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,381.0
12538,N#C/C(=C\c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccccc1,C1CCOC1,366.0
13125,N#Cc1ccc(/C=C/c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,366.0
7535,CN(C)c1ccc(C(=Cc2ccc(/C=C(\C#N)c3ccccc3)cc2)c2ccc(N(C)C)cc2)cc1,C1CCOC1,436.0
7536,CN(C)c1ccc(C(=Cc2ccc(/C=C/c3ccc(C#N)cc3)cc2)c2ccc(N(C)C)cc2)cc1,C1CCOC1,415.0
6619,CCOC(=O)COc1ccc(/C=C/C2=C3C(C)=CC(/C=C/c4ccc(OCC(=O)OCC)cc4)=[N+]3[B-](F)(F)n3c2c2ccccc2c3-c2[nH]c(C)cc2C)cc1,ClCCl,676.0
1990,CC1=CC(/C=C/c2ccc(OCCN3CCOCC3)cc2)=[N+]2C1=C(c1ccc(OCCN3CCCCC3)cc1)c1c(C)cc(/C=C/c3ccc(OCCN4CCOCC4)cc3)n1[B-]2(F)F,CCO,638.0
4616,CCCCCCOc1ccc2c(c1)-c1cc3c(cc1[Si]2(C)C)-c1ccccc1[Si]3(C)C,ClCCl,327.0
537,C=C[Si]1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1[Si]3(C)C=C,ClCCl,325.0
10244,C[Si]1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1[Si]3(C)C,ClCCl,322.0
10153,C[SiH]1c2ccccc2-c2cc3c(cc21)-c1ccccc1[SiH]3C,ClCCl,324.0
3839,CCCCCCCCn1c2ccccc2c2c1c1c3ccccc3n(CCCCCCCC)c1c1c3cc(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)ccc3n(CCCCCCCC)c21,ClCCl,469.0
3840,CCCCCCCCn1c2ccccc2c2c1c1c3ccccc3n(CCCCCCCC)c1c1c3cc(C#Cc4ccc(-c5ccc(C=C(C#N)C(=O)O)cc5)c5nsnc45)ccc3n(CCCCCCCC)c21,ClCCl,481.0
5349,CCCCN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O,Cc1ccccc1,403.0
5350,CCCCN1C(=O)c2cccc3c(OC)ccc(c23)C1=O,CC#N,376.0
5350,CCCCN1C(=O)c2cccc3c(OC)ccc(c23)C1=O,CS(C)=O,484.0
5350,CCCCN1C(=O)c2cccc3c(OC)ccc(c23)C1=O,Cc1ccccc1,362.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,CCO,363.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,CN(C)C=O,363.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,CO,364.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,CS(C)=O,365.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,ClC(Cl)(Cl)Cl,357.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,O,375.0
5355,CCCCN1C(=O)c2cccc3cccc(c23)C1=O,CC#N,341.0
5355,CCCCN1C(=O)c2cccc3cccc(c23)C1=O,CS(C)=O,342.0
5355,CCCCN1C(=O)c2cccc3cccc(c23)C1=O,Cc1ccccc1,342.0
3084,CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(OCCN(C)C)ccc(c23)C1=O,CC#N,363.0
3084,CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(OCCN(C)C)ccc(c23)C1=O,CC(C)=O,362.0
3084,CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(OCCN(C)C)ccc(c23)C1=O,CCO,362.0
3084,CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(OCCN(C)C)ccc(c23)C1=O,CCOC(C)=O,363.0
3084,CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(OCCN(C)C)ccc(c23)C1=O,CCOCC,359.0
3084,CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(OCCN(C)C)ccc(c23)C1=O,CN(C)C=O,364.0
3084,CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(OCCN(C)C)ccc(c23)C1=O,ClCCl,363.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,CC(C)CC(C)(C)C,353.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,CCCCCCCCCCCC,355.0
486,C=C(C)C(CN1C(=O)c2cccc3cccc(c23)C1=O)OO,CCO,332.0
13278,NNC(=O)N1C(=O)c2cc(S(=O)(=O)[O-])cc3c(N)c(S(=O)(=O)[O-])cc(c23)C1=O,O,458.0
4013,CCCCCCN1C(=O)c2cccc3cccc(c23)C1=O,CN(C)C=O,334.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,C1CCCCC1,355.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,C1CCOC1,359.0
9773,COc1ccc2c3c(cccc13)C(=O)N(C)C2=O,CC#N,360.0
5349,CCCCN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O,CC#N,416.0
5349,CCCCN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O,CS(C)=O,428.0
13818,O=C([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,CC#N,577.0
13818,O=C([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,CCO,564.0
13818,O=C([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,CN(C)C=O,580.0
13818,O=C([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,O,577.5
14220,O=S(=O)([O-])c1cc(S(=O)(=O)Cl)ccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,O,589.0
13806,O=C([O-])c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)[O-])c1,O,574.0
13806,O=C([O-])c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)[O-])c1,CCO,573.0
13803,O=C([O-])c1ccc(C(=O)[O-])c(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c1,O,574.0
13803,O=C([O-])c1ccc(C(=O)[O-])c(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c1,CCO,571.0
13805,O=C([O-])c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1,CCO,578.0
39,Brc1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)cc1,CCO,580.0
13781,O=C(O)c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,CC#N,560.0
1689,CC1(C)CCN2CCC(C)(C)c3c4c(cc1c32)C(c1ccccc1C(=O)[O-])=c1cc2c3c(c1O4)C(C)(C)CC[N+]=3CCC2(C)C,CS(C)=O,577.0
3389,CCCCCCCCN1C(=O)C2=C(c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)N(CC(=O)O)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1,ClCCl,521.0
3390,CCCCCCCCN1C(=O)C2=C(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)N(CC(=O)O)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,509.0
6689,CCOC(=O)c1c(N)sc(/N=C/c2cccs2)c1C(=O)OCC,CC#N,400.0
3338,CCCCCCCCCc1csc2cc(-c3cc(-c4cc5scc(CCCCCCCCC)c5s4)c4ccc5c(-c6cc7scc(CCCCCCCCC)c7s6)cc(-c6cc7scc(CCCCCCCCC)c7s6)c6ccc3c4c65)sc12,ClC(Cl)Cl,429.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,C1CCCCC1,362.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,CC#N,370.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,CC(C)O,376.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,CCC(C)=O,368.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,CCO,374.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,CCOC(C)=O,366.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,CS(C)=O,376.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,Cc1ccccc1,368.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,ClCCl,373.0
1345,CC(C)CCCCN1CCc2c1ccc1c3c(ccc21)C(=O)CCC3,Clc1ccccc1,370.0
2266,CCC(CC)CCCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(C5=CC=C(/C=C(/C#N)C(=O)O)C5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)ccc2N3CCCCC(CC)CC)cc1,C1CCOC1,471.0
2267,CCC(CC)CCCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(C5=CC=C(/C=C(\C#N)C(=O)O)C5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)ccc2N3CCCCC(CC)CC)cc1,C1CCOC1,471.0
10008,COc1nc(Cl)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CCOC(C)=O,442.0
10012,COc1nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)nc(OC)n1,C1COCCO1,443.0
10012,COc1nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)nc(OC)n1,CC#N,444.0
10012,COc1nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)nc(OC)n1,CCCCOCCCC,442.0
10012,COc1nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)nc(OC)n1,CCOC(C)=O,441.0
11802,Clc1nc(Cl)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,C1COCCO1,446.0
11802,Clc1nc(Cl)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CC#N,444.5
11802,Clc1nc(Cl)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CCCCOCCCC,443.0
11802,Clc1nc(Cl)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CCOC(C)=O,442.0
10008,COc1nc(Cl)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,C1COCCO1,443.0
10008,COc1nc(Cl)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CC#N,444.0
10008,COc1nc(Cl)nc(Nc2ccc3c4cccc5cccc(c6cccc2c63)c54)n1,CCCCOCCCC,443.0
9741,COc1ccc2c(c1)c1c(c3cc(OC)ccc32)-c2cc(C(C)(C)C)cc3c2c(nc2c4cc(OC)ccc4c4ccc(OC)cc4c32)O1,ClCCl,425.0
212,C(=C/c1cc(/C=C/c2ccccc2)nc(/C=C/c2ccccc2)n1)\c1ccccc1,ClCCl,312.0
9255,COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)nc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1,ClCCl,370.0
9256,COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)nc(/C=C/c3ccc(N(C)C)cc3)n2)cc1,ClCCl,370.0
7417,CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)nc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1,ClCCl,429.0
7418,CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)nc(/C=C/c3ccc(N(C)C)cc3)n2)cc1,ClCCl,402.0
9258,COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)nc(/C=C/c3ccc(OC)cc3)n2)cc1,ClCCl,339.0
7420,CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)nc(/C=C/c3ccccc3)n2)cc1,ClCCl,423.0
9260,COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)nc(/C=C/c3ccccc3)n2)cc1,ClCCl,369.0
9296,COc1ccc(/C=C/c2nc(/C=C/c3ccc(N(C)C)cc3)cc(/C=C/c3ccc(N(C)C)cc3)n2)cc1,ClCCl,423.0
12397,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)s2)s1)C(=O)O,CN(C)C=O,481.0
7073,CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1,CN(C)C=O,486.0
11541,Cc1cccc(N(c2ccc(/C=C/C=C/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)c2ccc(C)c(C)c2)c1,CS(C)=O,503.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,C1CCOC1,412.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CC#N,400.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CC(=O)OC(C)=O,403.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CC(C)=O,406.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CC(C)O,426.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CCCCCCCCO,426.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CCCCO,424.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CCO,416.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CO,409.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,CS(C)=O,408.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,ClC(Cl)Cl,424.0
10262,C[n+]1ccc(/C=C/c2ccc3cc(O)ccc3c2)cc1,O,390.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,CC#N,577.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,CC(C)=O,622.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,CC(C)O,536.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,CCCCCCCCO,555.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,CCCCO,555.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,CCO,515.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,CO,486.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,CS(C)=O,605.0
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,ClC(Cl)Cl,412.0151372
10263,C[n+]1ccc(/C=C/c2ccc3cc([O-])ccc3c2)cc1,O,448.0
2475,CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccc(CO)cc5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccc(CO)cc3)cc2S1(=O)=O,C1COCCO1,340.0
2476,CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccccc5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccccc3)cc2S1(=O)=O,C1COCCO1,336.0
2472,CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccc(C(C)=O)cc5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccc(C(C)=O)cc3)cc2S1(=O)=O,C1COCCO1,300.0
2270,CCC(CC)CCCCOc1ccc2ccccc2c1-c1c(OCCCCC(CC)CC)ccc2cc(-c3ccc(-c4ccc5c(c4)Sc4cc(-c6ccc(C7=CC=C(/C=C(/C#N)C(=O)O)C7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)ccc4N5CCCCC(CC)CC)cc3)ccc12,C1CCOC1,472.0
2271,CCC(CC)CCCCOc1ccc2ccccc2c1-c1c(OCCCCC(CC)CC)ccc2cc(-c3ccc(-c4ccc5c(c4)Sc4cc(-c6ccc(C7=CC=C(/C=C(\C#N)C(=O)O)C7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)ccc4N5CCCCC(CC)CC)cc3)ccc12,C1CCOC1,472.0
4035,CCCCCCN1c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2Sc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc21,ClCCl,470.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,ClCCl,412.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,O,410.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,Brc1ccccc1,416.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,C1CCOC1,407.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,C1COCCO1,401.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CC#N,406.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CC(C)=O,405.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CC(C)O,416.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CC(C)OC(C)C,397.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CCC(C)(C)O,412.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CCCCCC,393.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CCCCCCCCO,420.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CCCCO,420.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CCCCOCCCC,400.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CCN(CC)CC,396.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CCO,418.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CCOC(C)=O,403.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CN(C)C=O,413.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CO,417.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,CS(C)=O,418.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,Cc1ccccc1,404.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,ClC(Cl)(Cl)Cl,403.0
6121,CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(-c3oc4ccccc4c(=O)c3OC)ccc1-2,ClC(Cl)Cl,414.0
7884,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccn3C)cc2)cc1,CS(C)=O,428.0
2364,CCC1(CC)c2ccc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,537.0
2364,CCC1(CC)c2ccc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,534.0
2364,CCC1(CC)c2ccc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,534.0
2364,CCC1(CC)c2ccc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClC(Cl)Cl,570.0
2364,CCC1(CC)c2ccc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,560.0
13056,N#Cc1cc(N2c3ccccc3Sc3ccccc32)c(N2c3ccccc3Sc3ccccc32)cc1C#N,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,551.0
10433,Cc1cc(/C=C/C2=CCCCC2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,549.0
1963,CC1=C(c2cccs2)C2=Cc3c(-c4cccs4)c(C)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,548.0
11392,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2cccc(OCc3ccccc3)c2)cc1,CC#N,434.0
1261,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,C1CCOC1,344.3632568
1261,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,CC#N,344.3632568
1261,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,CC(C)=O,344.3632568
1261,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,CN(C)C=O,344.3632568
1261,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,Cc1ccccc1,344.3632568
1261,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,ClC(Cl)Cl,344.3632568
1261,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,ClCCl,344.3632568
14172,O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c(-c3ccccc3P(=O)(c3ccccc3)c3ccccc3)nc3ccccc32)cc1,ClCCl,300.0
11334,Cc1ccc(N2c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)cc3C3CCCC32)cc1,ClCCl,523.0
15161,c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ncccc65)c4)ccc32)cc1,ClCCl,345.0
4234,CCCCCCOc1ccc(-c2cc3c(s2)Sc2cc(/C=C(\C#N)C(=O)O)ccc2N3CCCCCC)cc1,ClCCl,518.0
14929,c1ccc(-c2c3c(nc4ccccc24)-c2cc4c(cc2CC3)-c2nc3ccccc3c(-c3ccccc3)c2CC4)cc1,ClC(Cl)Cl,376.0
12346,N#C/C(=C\c1cc(-c2cccs2)c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1cccs1)C(=O)O,ClCCl,425.0
5101,CCCCCCn1c2ccccc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc21,ClC(Cl)Cl,412.0
5103,CCCCCCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)c(F)c3)ccc21,ClC(Cl)Cl,396.0
5104,CCCCCCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)c(F)c3F)ccc21,ClC(Cl)Cl,402.0
5105,CCCCCCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)cc3)ccc21,ClC(Cl)Cl,380.0
5106,CCCCCCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)cc3F)ccc21,ClC(Cl)Cl,400.0
3844,CCCCCCCCn1c2ccccc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)c(F)c3F)ccc21,ClC(Cl)Cl,398.0
3845,CCCCCCCCn1c2ccccc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3F)ccc21,ClCCl,393.0
7180,CCn1c2ccccc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc21,CCO,362.0
5730,CCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3ccc(OC)cc3)ccc21,ClCCl,407.0
3819,CCCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3c(C)cc(C)cc3C)ccc21,ClC(Cl)Cl,413.0
3820,CCCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccc(C(C)(C)C)cc3)ccc21,ClC(Cl)Cl,416.0
3822,CCCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccc(OC)cc3)ccc21,ClC(Cl)Cl,418.0
3823,CCCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccccc3)ccc21,ClC(Cl)Cl,414.0
5070,CCCCCCn1c2ccc(/C=C(/C#N)C(=O)O)cc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc21,ClC(Cl)Cl,421.0
273,C(=C/c1cnccn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,391.0
273,C(=C/c1cnccn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CS(C)=O,400.0
273,C(=C/c1cnccn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,394.0
273,C(=C/c1cnccn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,393.0
9182,COc1ccc(-c2sc(/C=C3/SC(=O)N(CC(=O)O)C3=S)c3c2OCCO3)c(OC)c1OC,CN(C)C=O,450.0
5495,CCCCOc1ccc(-c2sc(/C=C3/SC(=O)N(CC(=O)O)C3=S)c3c2OCCO3)c(OCCCC)c1,CN(C)C=O,482.0
14884,c1cc2ccc1CCCc1ccc(c3nsnc13)CCC2,ClC(Cl)Cl,384.0
14884,c1cc2ccc1CCCc1ccc(c3nsnc13)CCC2,C1CCCCC1,378.0
14884,c1cc2ccc1CCCc1ccc(c3nsnc13)CCC2,CC#N,384.0
9238,COc1ccc(/C=C/C2=C3CCc4ccccc4C3=[O+][B-](F)(F)O2)cc1,ClCCl,467.0
9291,COc1ccc(/C=C/c2ccnc3ccccc23)cc1,ClC(Cl)Cl,347.0
9291,COc1ccc(/C=C/c2ccnc3ccccc23)cc1,ClCCl,347.0
6463,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C1O2,CC#N,696.0
6142,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CC#N,708.0
6142,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CCO,700.0
6142,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CO,700.0
6142,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,ClC(Cl)Cl,716.0
6463,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C1O2,CCO,688.0
6463,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C1O2,CO,690.0
6145,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](CC)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,O,710.0
6463,CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C1O2,ClC(Cl)Cl,702.0
5907,CCN(C(C)=O)c1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C1O2,CCO,656.0
4152,CCCCCCOc1c(OC)cc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc5cccc6ccc7cccc3c7c65)=C3/C=CC2=N3)/C(c2cc(OC)c(COCCCCC)c(OC)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(/C=C(/C#N)C(=O)O)s2)cc1OC,ClCCl,639.0
4153,CCCCCCOc1c(OC)cc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc5cccc6ccc7cccc3c7c65)=C3/C=CC2=N3)/C(c2cc(OC)c(COCCCCC)c(OC)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(C=C(C(=O)O)C(=O)O)s2)cc1OC,ClCCl,654.0
85,C#CCn1c2ccccc2c2cc(/C=C/c3c(Cl)c(C)c4n3[B-](F)(F)[N+]3=C(C)C(Cl)=C(C)C3=C4c3ccc(I)cc3)ccc21,CC#N,606.0
85,C#CCn1c2ccccc2c2cc(/C=C/c3c(Cl)c(C)c4n3[B-](F)(F)[N+]3=C(C)C(Cl)=C(C)C3=C4c3ccc(I)cc3)ccc21,CS(C)=O,616.0
85,C#CCn1c2ccccc2c2cc(/C=C/c3c(Cl)c(C)c4n3[B-](F)(F)[N+]3=C(C)C(Cl)=C(C)C3=C4c3ccc(I)cc3)ccc21,ClC(Cl)Cl,619.0
86,C#CCn1c2ccccc2c2cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=C(C)C=C(C)C3=C4c3ccc(I)cc3)ccc21,CC#N,579.0
86,C#CCn1c2ccccc2c2cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=C(C)C=C(C)C3=C4c3ccc(I)cc3)ccc21,CS(C)=O,589.0
86,C#CCn1c2ccccc2c2cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=C(C)C=C(C)C3=C4c3ccc(I)cc3)ccc21,ClC(Cl)Cl,588.0
13784,O=C(O)c1ccccc1Nc1ccccc1,CCOC(C)=O,356.0
13784,O=C(O)c1ccccc1Nc1ccccc1,CN(C)C=O,341.0
13784,O=C(O)c1ccccc1Nc1ccccc1,ClC(Cl)Cl,357.0
11551,Cc1cccc(Nc2ccccc2C(=O)O)c1C,CC#N,351.0
11551,Cc1cccc(Nc2ccccc2C(=O)O)c1C,CCOC(C)=O,351.0
11551,Cc1cccc(Nc2ccccc2C(=O)O)c1C,CN(C)C=O,545.0
11551,Cc1cccc(Nc2ccccc2C(=O)O)c1C,CO,345.0
11551,Cc1cccc(Nc2ccccc2C(=O)O)c1C,ClC(Cl)Cl,357.0
13783,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,C1COCCO1,350.0
13783,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,ClC(Cl)Cl,353.0
13784,O=C(O)c1ccccc1Nc1ccccc1,C1CCOC1,353.0
13784,O=C(O)c1ccccc1Nc1ccccc1,C1COCCO1,353.0
13784,O=C(O)c1ccccc1Nc1ccccc1,CC#N,350.0
4623,CCCCCCOc1ccc2c(c1)Sc1cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4nsnc34)ccc1N2CCCC,C1CCOC1,462.0
5392,CCCCN1c2ccccc2Sc2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4nsnc34)ccc21,C1CCOC1,452.0
4283,CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OCCCCCC)cc4)ccc2n3-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(C=C(C#N)C(=O)O)s4)sc2-3)cc1,CCO,438.0
4284,CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OCCCCCC)cc4OCCCCCC)ccc2n3-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(C=C(C#N)C(=O)O)s4)sc2-3)c(OCCCCCC)c1,CCO,441.0
12165,Fc1c(F)c(F)c(-c2cc3cc4oc(-c5c(F)c(F)c(F)c(F)c5F)cc4cc3o2)c(F)c1F,ClCCl,351.0
14968,c1ccc(-c2cc3cc4oc(-c5ccccc5)cc4cc3o2)cc1,ClCCl,370.0
11115,Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc(C=C(C#N)C(=O)O)s4)cc4c3N3c5c2cc(-c2ccc(C=C(C#N)C(=O)O)s2)cc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(C=C(C#N)C(=O)O)s5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,494.0
4967,CCCCCCc1ccsc1-c1cc2c3c(c1)C(c1ccc(C)cc1)(c1ccc(C)cc1)c1cc(-c4sccc4CCCCCC)cc4c1N3c1c(cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc1C4(c1ccc(C)cc1)c1ccc(C)cc1)C2(c1ccc(C)cc1)c1ccc(C)cc1,ClC(Cl)Cl,499.0
4967,CCCCCCc1ccsc1-c1cc2c3c(c1)C(c1ccc(C)cc1)(c1ccc(C)cc1)c1cc(-c4sccc4CCCCCC)cc4c1N3c1c(cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc1C4(c1ccc(C)cc1)c1ccc(C)cc1)C2(c1ccc(C)cc1)c1ccc(C)cc1,ClCCl,499.0
4906,CCCCCCc1ccc(-c2cc3c4c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(CCCCCC)s5)cc5c2N4c2c(cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc2C5(c2ccc(C)cc2)c2ccc(C)cc2)C3(c2ccc(C)cc2)c2ccc(C)cc2)s1,ClC(Cl)Cl,496.0
4906,CCCCCCc1ccc(-c2cc3c4c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(CCCCCC)s5)cc5c2N4c2c(cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc2C5(c2ccc(C)cc2)c2ccc(C)cc2)C3(c2ccc(C)cc2)c2ccc(C)cc2)s1,ClCCl,496.0
8779,COc1cc(OC)c2cc(-c3ccccc3CC#N)c(=O)oc2c1,ClC(Cl)Cl,342.0
9936,COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc12,C1CCOC1,331.0
9936,COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc12,CC#N,327.0
9936,COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc12,CS(C)=O,334.0
9936,COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc12,ClC(Cl)Cl,329.0
2244,CCC(=O)Nc1ccc(-c2c(C)c3ccc(N(CC)CC)cc3oc2=O)cc1,CO,384.0
5514,CCCCOc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,C1CCOC1,343.0
5514,CCCCOc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CCCCCC,338.0
5514,CCCCOc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CCO,344.0
5514,CCCCOc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CS(C)=O,346.0
9796,COc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,C1CCOC1,342.0
9796,COc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CCCCCC,338.0
9796,COc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CCO,342.0
9796,COc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CS(C)=O,345.0
9800,COc1ccc2cc(-c3ccccc3CC#N)c(=O)oc2c1,ClC(Cl)Cl,336.0
12906,N#CCc1ccccc1-c1cc2ccccc2oc1=O,ClC(Cl)Cl,318.0
14554,O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1,C1CCOC1,331.0
14554,O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1,CC#N,336.0
14554,O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1,CS(C)=O,344.0
14554,O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,341.0
10941,Cc1ccc(-c2cc3ccccc3oc2=O)cc1,C1CCOC1,328.0
10941,Cc1ccc(-c2cc3ccccc3oc2=O)cc1,CCCCCC,328.0
10941,Cc1ccc(-c2cc3ccccc3oc2=O)cc1,CCO,328.0
10941,Cc1ccc(-c2cc3ccccc3oc2=O)cc1,CS(C)=O,330.0
6915,CCOc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,C1CCOC1,342.0
6915,CCOc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CCCCCC,338.0
6915,CCOc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CCO,344.0
6915,CCOc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1,CS(C)=O,345.0
2743,CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)c4nsnc34)ccc21,C1CCOC1,484.0
12015,F[B-]1(F)N2C=CC=CC2=N/[N+]1=C/c1ccc(-c2cccs2)cc1,CO,472.0
63,C#CC1=CN2C(=N/[N+](=C/c3ccc(-c4cccs4)cc3)[B-]2(F)F)C=C1,CO,481.0
12010,F[B-]1(F)N2C=C(Br)C=CC2=N/[N+]1=C/c1ccc(-c2cccs2)cc1,CO,482.0
12012,F[B-]1(F)N2C=C(Cl)C=CC2=N/[N+]1=C/c1ccc(-c2cccs2)cc1,CO,491.0
12013,F[B-]1(F)N2C=C(I)C=CC2=N/[N+]1=C/c1ccc(-c2cccs2)cc1,CO,490.0
4729,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc5c(c4)c4c(-c6ccccc6)c6c(c(-c7ccccc7)c4n5CCCCCC)c4ccccc4n6CCCCCC)s3)c3nsnc23)sc1/C=C(\C#N)C(=O)O,C1CCOC1,423.0
11993,FC(F)(F)c1ccc2oc3nc4oc5ccc(N6c7ccccc7Oc7ccccc76)cc5c4cc3c2c1,ClC(Cl)Cl,344.0
1301,CC(C)(C)c1ccc2oc3nc4oc5ccc(N6c7ccccc7Oc7ccccc76)cc5c4cc3c2c1,ClC(Cl)Cl,347.0
3675,CCCCCCCCOc1nc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)cc(-c2ccc3c4ccccc4n(CC)c3c2)c1C#N,ClCCl,475.0
15394,c1ccc2c(c1)CCc1c-2cnc2c1-c1ccccc1CC2,C1CCOC1,323.0
15394,c1ccc2c(c1)CCc1c-2cnc2c1-c1ccccc1CC2,CC#N,322.0
15394,c1ccc2c(c1)CCc1c-2cnc2c1-c1ccccc1CC2,CCCCCC,323.0
15394,c1ccc2c(c1)CCc1c-2cnc2c1-c1ccccc1CC2,CCOC(C)=O,315.0
15394,c1ccc2c(c1)CCc1c-2cnc2c1-c1ccccc1CC2,CO,324.0
15394,c1ccc2c(c1)CCc1c-2cnc2c1-c1ccccc1CC2,CS(C)=O,325.0
15394,c1ccc2c(c1)CCc1c-2cnc2c1-c1ccccc1CC2,Cc1ccccc1,323.0
15394,c1ccc2c(c1)CCc1c-2cnc2c1-c1ccccc1CC2,ClCCl,322.0
1262,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,ClCCl,343.0
1262,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,C1CCOC1,343.0
1262,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,CC#N,343.0
1262,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,CC(C)=O,343.0
1262,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,CN(C)C=O,343.0
1262,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,Cc1ccccc1,343.0
1262,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1,ClC(Cl)Cl,343.0
12881,N#CC(C(=O)O)=C1C=C(/C=C/c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)CC(/C=C/c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)=C1,C1CCOC1,610.0
7465,CN(C)c1ccc(/C=C/c2ncnc3ccccc23)cc1,ClCCl,433.0
895,CC(C)(C)c1cc(-c2cc3c(cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)n2-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc(C(C)(C)C)c1,ClCCl,337.0
10023,CS1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccccc4S3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21,CO,800.0
7146,CCn1c2ccc(/C=C(/C#N)C(=O)O)cc2c2ccc(-c3ccc(-c4ccc(C=C(c5ccc(N(C)C)cc5)c5ccc(N(C)C)cc5)cc4)s3)cc21,ClC(Cl)Cl,400.0
15298,c1ccc(N(c2ccccc2)c2ccc3c4cccc5c(N(c6ccccc6)c6ccccc6)ccc(c6cccc2c63)c54)cc1,C1CCCCC1,493.0
15298,c1ccc(N(c2ccccc2)c2ccc3c4cccc5c(N(c6ccccc6)c6ccccc6)ccc(c6cccc2c63)c54)cc1,C1CCOC1,489.0
15298,c1ccc(N(c2ccccc2)c2ccc3c4cccc5c(N(c6ccccc6)c6ccccc6)ccc(c6cccc2c63)c54)cc1,CC#N,483.0
15298,c1ccc(N(c2ccccc2)c2ccc3c4cccc5c(N(c6ccccc6)c6ccccc6)ccc(c6cccc2c63)c54)cc1,Cc1ccccc1,492.0
11265,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4cccc5c(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc(c6cccc2c63)c54)cc1,C1CCCCC1,506.0
11265,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4cccc5c(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc(c6cccc2c63)c54)cc1,C1CCOC1,502.0
11265,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4cccc5c(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc(c6cccc2c63)c54)cc1,CC#N,496.0
11265,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4cccc5c(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc(c6cccc2c63)c54)cc1,Cc1ccccc1,507.0
11265,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4cccc5c(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc(c6cccc2c63)c54)cc1,ClCCl,473.0
15298,c1ccc(N(c2ccccc2)c2ccc3c4cccc5c(N(c6ccccc6)c6ccccc6)ccc(c6cccc2c63)c54)cc1,ClCCl,490.0
13154,N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc3c4cccc5c(N(c6ccc(C#N)cc6)c6ccc(C#N)cc6)ccc(c6cccc2c63)c54)cc1,C1CCCCC1,446.0
13154,N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc3c4cccc5c(N(c6ccc(C#N)cc6)c6ccc(C#N)cc6)ccc(c6cccc2c63)c54)cc1,C1CCOC1,452.0
13154,N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc3c4cccc5c(N(c6ccc(C#N)cc6)c6ccc(C#N)cc6)ccc(c6cccc2c63)c54)cc1,CC#N,446.0
13154,N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc3c4cccc5c(N(c6ccc(C#N)cc6)c6ccc(C#N)cc6)ccc(c6cccc2c63)c54)cc1,Cc1ccccc1,451.0
13154,N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc3c4cccc5c(N(c6ccc(C#N)cc6)c6ccc(C#N)cc6)ccc(c6cccc2c63)c54)cc1,ClCCl,450.0
9610,COc1ccc(N(c2ccc(OC)cc2)c2ccc3c4cccc5c(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc(c6cccc2c63)c54)cc1,C1CCCCC1,519.0
9610,COc1ccc(N(c2ccc(OC)cc2)c2ccc3c4cccc5c(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc(c6cccc2c63)c54)cc1,C1CCOC1,515.0
9610,COc1ccc(N(c2ccc(OC)cc2)c2ccc3c4cccc5c(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc(c6cccc2c63)c54)cc1,CC#N,508.0
9610,COc1ccc(N(c2ccc(OC)cc2)c2ccc3c4cccc5c(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc(c6cccc2c63)c54)cc1,Cc1ccccc1,519.0
9610,COc1ccc(N(c2ccc(OC)cc2)c2ccc3c4cccc5c(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc(c6cccc2c63)c54)cc1,ClCCl,514.0
12220,Fc1ccc(N(c2ccc(F)cc2)c2ccc3c4cccc5c(N(c6ccc(F)cc6)c6ccc(F)cc6)ccc(c6cccc2c63)c54)cc1,C1CCCCC1,493.0
12220,Fc1ccc(N(c2ccc(F)cc2)c2ccc3c4cccc5c(N(c6ccc(F)cc6)c6ccc(F)cc6)ccc(c6cccc2c63)c54)cc1,C1CCOC1,488.0
12220,Fc1ccc(N(c2ccc(F)cc2)c2ccc3c4cccc5c(N(c6ccc(F)cc6)c6ccc(F)cc6)ccc(c6cccc2c63)c54)cc1,CC#N,484.0
12220,Fc1ccc(N(c2ccc(F)cc2)c2ccc3c4cccc5c(N(c6ccc(F)cc6)c6ccc(F)cc6)ccc(c6cccc2c63)c54)cc1,Cc1ccccc1,493.0
12220,Fc1ccc(N(c2ccc(F)cc2)c2ccc3c4cccc5c(N(c6ccc(F)cc6)c6ccc(F)cc6)ccc(c6cccc2c63)c54)cc1,ClCCl,461.0
1206,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c(C#N)ccc(C#N)c3nc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,Cc1ccccc1,467.0
1207,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3cc(C#N)c(C#N)cc3nc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,Cc1ccccc1,443.0
15508,c1ccc2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1,Cc1ccccc1,368.0
7103,CCn1c(-c2cc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3CC)c3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc(-c2ccccc2)c1-c1ccccc1,C1CCOC1,457.0
14077,O=C1c2ccccc2C(=O)c2c(NCCNc3nc(Cl)nc(Cl)n3)cccc21,ClCCl,497.0
2840,CCCCCC1=C2C(C)=C(c3ccc4c5ccccc5n(-c5ccc(OC)cc5)c4c3)C(C)=[N+]2[B-](F)(F)n2c(C)c(/C=C(\C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,533.0
2841,CCCCCC1=C2C(C)=C(c3ccc4c5ccccc5n(-c5ccc(OC)cc5)c4c3)C(C)=[N+]2[B-](F)(F)n2c(C)c(C=C(C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,533.0
5004,CCCCCCn1c(=CC=2C(=O)C(=C[N+]3=C(CC)c4ccc(C(=O)O)cc4C3(CCCC)CCCC)C2[O-])c2cccc3cccc1c32,CCO,770.0
5003,CCCCCCn1c(=CC=2C(=O)C(=C[N+]3=C(CC)c4ccc(C(=O)O)cc4C3(C)C)C2[O-])c2cccc3cccc1c32,CCO,769.0
3012,CCCCCCCCC1(CCCCCCCC)c2cc(C(=O)O)ccc2C(CC)=[N+]1C=C1C(=O)C(C=c2c3cccc4cccc(c43)n2CCCCCC)=C1[O-],CCO,771.0
12740,N#CC(=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1c(F)c(F)c(F)c(F)c1F)C(=O)O,ClCCl,493.0
12519,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1c(F)c(F)c(F)c(F)c1F)C(=O)O,ClCCl,493.0
12520,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1ccc(C#N)cc1)C(=O)O,ClCCl,490.0
12741,N#CC(=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1ccc(C#N)cc1)C(=O)O,ClCCl,490.0
11321,Cc1ccc(N2c3ccc(-c4ccc(/C=C/c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,518.0
11322,Cc1ccc(N2c3ccc(-c4ccc(/C=C/c5ccc(C=C(C#N)C(=O)O)s5)s4)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,518.0
1541,CC/[NH+]=c1/cc2oc3c(ccc4cc(O)ccc43)c(-c3ccccc3C(=O)O)c-2cc1C,O,522.0
12154,F[Si](c1ccccc1)(c1ccccc1)c1c2ccccc2cc2ccccc12,ClC(Cl)Cl,394.0
12154,F[Si](c1ccccc1)(c1ccccc1)c1c2ccccc2cc2ccccc12,C1CCOC1,393.0
2373,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(/C=C/c4cccs4)ccc2-3)C(CC)(CC)c2ccccc2-1,C1CCOC1,382.0
4000,CCCCCCN1C(=O)c2cccc3c(-c4sc(-c5ccc6c7c(cccc57)C(=O)N(CCCCCC)C6=O)c5c4OCCO5)ccc(c23)C1=O,ClC(Cl)Cl,416.0
6975,CC[N+]1(CC)CN2C(=N1)C(C(=O)[O-])=Cc1ccccc12,CN(C)C=O,378.0
6975,CC[N+]1(CC)CN2C(=N1)C(C(=O)[O-])=Cc1ccccc12,O,369.0
6961,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1c(OC)ccc(OC)c12,O,368.0
6963,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(C)c(C)cc12,O,378.0
6964,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(C)ccc12,O,379.0
6965,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(Cl)ccc12,O,377.0
6966,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(F)ccc12,O,375.0
6967,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(OC)c(OC)cc12,O,392.0
6968,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(OC)ccc12,O,394.0
6970,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(SC)ccc12,O,397.0
6971,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1ccc(C)cc12,O,370.0
6972,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1ccc(Cl)cc12,O,367.0
6973,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1ccc(OC)cc12,O,372.0
6974,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1ccccc12,CN(C)C=O,361.0
6974,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1ccccc12,O,373.0
10493,Cc1cc(/C=C/c2ccc(-c3ccccc3)s2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,589.0
3286,CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(C2=C3C(/C=C/c4ccc(N(C)C)cc4)=C(C#Cc4ccc(C(C)(C)C)cc4)C(/C=C/c4ccc(N(C)C)cc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)c(C#Cc4ccc(C(C)(C)C)cc4)c(/C=C/c4ccc(N(C)C)cc4)c32)c1,ClC(Cl)Cl,797.0
3287,CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(C2=C3C(/C=C/c4ccc(OC)cc4)=C(C#Cc4ccc(C(C)(C)C)cc4)C(/C=C/c4ccc(OC)cc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OC)cc4)c(C#Cc4ccc(C(C)(C)C)cc4)c(/C=C/c4ccc(OC)cc4)c32)c1,ClC(Cl)Cl,732.0
2500,CCCC1(CCC)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc(C(C)(C)C)cc9)ccc7-8)ccc5-6)ccc3-4)cc21,C1CCCCC1,366.0
15304,c1ccc(N2N=C(c3c4ccccc4cc4ccccc34)CC2c2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,425.0
10993,Cc1ccc(-c2nc3cnccn3c2NC2CCCCC2)o1,CS(C)=O,368.0
3650,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,677.0
3651,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,667.0
3651,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClC(Cl)Cl,667.0
9542,COc1ccc(N(c2ccc(C#C/C3=c4\cc/c5n4[Zn]n4c(ccc4/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4/C=CC3=N4)/C(C#Cc3ccc(C(=O)O)cc3)=C3/C=CC(=N3)/C=5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)c2ccc(OC)cc2)cc1,C1CCOC1,672.0
8608,COc1c(C(C)(C)C)cc(N(c2ccc(C#C/C3=c4\cc/c5n4[Zn]n4c(ccc4/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4/C=CC3=N4)/C(C#Cc3ccc(C(=O)O)cc3)=C3/C=CC(=N3)/C=5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C,C1CCOC1,671.0
2912,CCCCCCC1(CCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc4c(c3)Sc3cc(-c5cc6c(s5)-c5sc(/C=C(\C#N)C(=O)O)cc5C6(CCCCCC)CCCCCC)ccc3N4c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,527.0
4244,CCCCCCOc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)s7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5C5CCCC54)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,534.0
4245,CCCCCCOc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)s7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5[C@@H]5CCC[C@@H]54)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,534.0
4340,CCCCCCOc1ccc(N(c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)c2cccc(N(c3ccc(OCCCCCC)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)c2)cc1,C1CCOC1,458.0
8697,COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4o3)cc2OC)n1,C1CCOC1,431.0
8697,COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4o3)cc2OC)n1,CC#N,431.0
8697,COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4o3)cc2OC)n1,ClC(Cl)Cl,436.0
8697,COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4o3)cc2OC)n1,ClCCl,431.0
3440,CCCCCCCCN1c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21,CC#N,438.0
4100,CCCCCCN1c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21,CC#N,438.0
3442,CCCCCCCCN1c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2Sc2cc(C=C(C#N)C#N)ccc21,CC#N,471.0
4102,CCCCCCN1c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2Sc2cc(C=C(C#N)C#N)ccc21,CC#N,471.0
12504,N#C/C(=C\c1ccc(/C(C#N)=C/c2ccc(N(c3ccccn3)c3ccccn3)cc2)s1)C(=O)O,CN(C)C=O,426.0
12422,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)s3)s2)s1)C(=O)O,C1CCOC1,480.0
5311,CCCCN1C(=O)C(=CC=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,ClCCl,456.0
5311,CCCCN1C(=O)C(=CC=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CCCCCC,470.0
5311,CCCCN1C(=O)C(=CC=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CCO,424.0
5311,CCCCN1C(=O)C(=CC=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,CN(C)C=O,431.0
5311,CCCCN1C(=O)C(=CC=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,Cc1ccccc1,468.0
5311,CCCCN1C(=O)C(=CC=C2N(CCCC)c3ccccc3N2CCCC)C(=O)N(CCCC)C1=S,ClC(Cl)Cl,461.0
11530,Cc1cccc(C)c1N1C(c2ccccc2)=Cc2cccc[n+]2[B-]1(F)F,ClCCl,397.0
15474,c1ccc2c(c1)nc1c3sccc3c3ccccc3n21,CC#N,341.0
11036,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2/C=CC(=N2)/C=4c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)o3)cc2)cc1,C1CCOC1,597.0
11037,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2/C=CC(=N2)/C=4c2ccc(-c3ccc(C=C(C(=O)O)C(=O)O)o3)cc2)cc1,C1CCOC1,598.0
267,C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,C1CCOC1,381.0
267,C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,CC#N,378.0
267,C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,CCCCCCC,375.0
267,C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,CS(C)=O,389.0
267,C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,ClCCl,386.0
14335,O=[N+]([O-])c1ccc(/C=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1,CCCCCCC,357.0
14335,O=[N+]([O-])c1ccc(/C=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1,CO,367.0
14335,O=[N+]([O-])c1ccc(/C=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1,O,378.0
14335,O=[N+]([O-])c1ccc(/C=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1,CC#N,369.0
12947,N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21,Cc1ccccc1,394.95
1188,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(C#N)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21,Cc1ccccc1,422.84
12934,N#Cc1c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(C#N)c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c1-n1c2ccc(Br)cc2c2cc(Br)ccc21,Cc1ccccc1,339.0
11449,Cc1ccc2c(c1)c1cc(Br)ccc1n2-c1c(C#N)c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(C#N)c1-n1c2ccc(Br)cc2c2cc(Br)ccc21,Cc1ccccc1,339.0
12937,N#Cc1c(-n2c3ccc(I)cc3c3cc(I)ccc32)c(-n2c3ccc(I)cc3c3cc(I)ccc32)c(C#N)c(-n2c3ccc(I)cc3c3cc(I)ccc32)c1-n1c2ccc(I)cc2c2cc(I)ccc21,Cc1ccccc1,361.0
12939,N#Cc1c(-n2c3ccccc3c3cc(Br)ccc32)c(-n2c3ccccc3c3cc(Br)ccc32)c(C#N)c(-n2c3ccccc3c3cc(Br)ccc32)c1-n1c2ccccc2c2cc(Br)ccc21,Cc1ccccc1,337.0
12941,N#Cc1c(-n2c3ccccc3c3cc(I)ccc32)c(-n2c3ccccc3c3cc(I)ccc32)c(C#N)c(-n2c3ccccc3c3cc(I)ccc32)c1-n1c2ccccc2c2cc(I)ccc21,Cc1ccccc1,348.0
4489,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(C5=C([O-])C(=CC6=[N+](CCCC)c7ccc(C(=O)O)cc7C6(C)C)C5=O)s4)s3)cc2)cc1,CCO,650.0
7775,CN(C)c1nc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1,CN(C)C=O,395.0
13642,O=C(O)CN1C(=O)C(=Cc2ccc(-c3nc(Cl)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)SC1=S,CN(C)C=O,396.0
2489,CCC1=[N+]2c3c(c4ccc(Oc5c(C)cc(C)cc5C)c5cc6c(Oc7c(C)cc(C)cc7C)ccc7c8cc(CC)n(c8c3c(c54)c67)[B-]2(F)F)=C1,Cc1ccccc1,867.0
12529,N#C/C(=C\c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1)C(=O)O,ClCCl,405.0
5014,CCCCCCn1c(=O)c2c3sc4ccccc4sc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O,ClCCl,441.0
2495,CCCC1(CCC)COc2c(/C=C(\C#N)C(=O)O)sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OCC(CCC)(CCC)CO4)c2OC1,C1CCOC1,503.0
1694,CC1(C)COc2c(/C=C(\C#N)C(=O)O)sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OCC(C)(C)CO4)c2OC1,C1CCOC1,499.0
2871,CCCCCCC1(CCCCCC)COc2c(/C=C(\C#N)C(=O)O)sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OCC(CCCCCC)(CCCCCC)CO4)c2OC1,C1CCOC1,502.0
7764,CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)cccc12,CO,335.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,C1CCOC1,463.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,CC#N,460.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,CCO,466.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,CS(C)=O,476.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,Cc1ccccc1,461.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,ClC(Cl)Cl,470.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,ClCCl,466.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,CCOC(C)=O,458.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,CN(C)C=O,470.0
8842,COc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2C,CO,466.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CCOC(C)=O,458.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CN(C)C=O,471.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CS(C)=O,476.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,Cc1ccccc1,462.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,C1CCOC1,462.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CC#N,462.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CCO,468.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,ClC(Cl)Cl,470.0
6891,CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,ClCCl,468.0
5200,CCCCCc1nc2c(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(C)cc3)ccc(-c3cc4c5nc(CCCCC)c(CCCCC)nc5c5cc(/C=C(\C#N)C(=O)O)sc5c4s3)c2nc1CCCCC,ClC(Cl)Cl,511.0
12680,N#CC(=Cc1ccc(-c2ccc(C#Cc3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1)C(=O)O,ClC(Cl)Cl,418.0
14131,O=Cc1ccc(-c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4n(CCCCCCC(=O)O)c3c2)cc1,C1COCCO1,384.0
5695,CCCCn1c2cc(-c3ccc(C(=O)O)cc3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,376.0
13702,O=C(O)c1ccc(-c2ccc3c(c2)[nH]c2cc(N(c4ccccc4)c4ccccc4)ccc23)cc1,C1COCCO1,374.0
5701,CCCCn1c2cc(-c3ccc(C=O)cc3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,384.0
5702,CCCCn1c2cc(-c3ccc(O)c(O)c3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,364.0
2604,CCCCC(CC)CN1C(=O)c2ccc3c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc5c6c(ccc(c7c(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc(c2c37)C1=O)c64)C(=O)N(CC(CC)CCCC)C5=O,ClC(Cl)Cl,561.0
3414,CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc5c6c(ccc(c7c(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,577.0
12086,F[B-]1(F)n2c(c3cc4ccccc4cc3c2-c2ccccc2)C=C2c3cc4ccccc4cc3C(c3ccccc3)=[N+]21,C1CCOC1,761.0
12086,F[B-]1(F)n2c(c3cc4ccccc4cc3c2-c2ccccc2)C=C2c3cc4ccccc4cc3C(c3ccccc3)=[N+]21,CN(C)C=O,764.0
12086,F[B-]1(F)n2c(c3cc4ccccc4cc3c2-c2ccccc2)C=C2c3cc4ccccc4cc3C(c3ccccc3)=[N+]21,ClCCl,762.0
9982,COc1ccccc1C1=[N+]2C(=Cc3c4cc5ccccc5cc4c(-c4ccccc4OC)n3[B-]2(F)F)c2cc3ccccc3cc21,C1CCOC1,738.0
12086,F[B-]1(F)n2c(c3cc4ccccc4cc3c2-c2ccccc2)C=C2c3cc4ccccc4cc3C(c3ccccc3)=[N+]21,c1ccccc1,765.0
7008,CC[P](CC)(CC)[Pt](C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)(C#Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1)[P](CC)(CC)CC,ClCCl,510.0
2129,CC1=[N+]2C(=C(NC(C)c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,571.0
2129,CC1=[N+]2C(=C(NC(C)c3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,570.0
2130,CC1=[N+]2C(=C(NCc3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,568.0
2130,CC1=[N+]2C(=C(NCc3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,570.0
1120,CC(C)(C)c1ccc(N(c2ccc(-c3ccc(C4=[O+][B-](F)(F)OC(c5ccc(C(=O)O)cc5)=C4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1,CC#N,494.0
11258,Cc1ccc(N(c2ccc(C)cc2)c2ccc(N3c4ccc(/C=C(\C#N)C(=O)O)cc4Sc4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)s5)ccc43)cc2)cc1,C1CCOC1,472.0
295,C(=C/c1ncc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)o1)\c1cccc(N2CCCC2)c1,ClCCl,353.0
10701,Cc1cc(C)c(B(c2ccccc2N(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,415.0
12280,N#C/C(=C/c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)s1)C(=O)O,C1CCOC1,371.0
14615,Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,C1CCOC1,381.0
14615,Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,CC#N,379.0
14615,Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,CCCCCC,382.0
14615,Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,CO,378.0
14615,Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,CS(C)=O,383.0
14615,Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,Cc1ccccc1,383.0
14615,Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,ClCCl,383.0
12421,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)s2)s1)C(=O)O,C1CCOC1,461.0
2677,CCCCC(CC)C[Ge]1(CC(CC)CCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2-c2sc(-c3cnc(-c4ccc(/C=C(/C#N)C(=O)O)s4)c4nsnc34)cc21,C1CCOC1,609.0
2678,CCCCC(CC)C[Ge]1(CC(CC)CCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2-c2sc(-c3cnc(-c4ccc(C(=O)O)s4)c4nsnc34)cc21,C1CCOC1,583.0
3942,CCCCCCN(c1ccccc1)c1ccc(/C=C/c2cc(=O)oc3cc(C)ccc23)cc1,ClC(Cl)Cl,424.0
3942,CCCCCCN(c1ccccc1)c1ccc(/C=C/c2cc(=O)oc3cc(C)ccc23)cc1,CS(C)=O,432.0
3961,CCCCCCN1C(=O)C(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)=C(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)C1=O,ClC(Cl)Cl,400.0
3961,CCCCCCN1C(=O)C(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)=C(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)C1=O,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,412.0
11246,Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(Nc4ncc(/C=C(\C#N)C(=O)O)cn4)c4nn(C)nc34)cc2)cc1,Cc1ccccc1,438.0
2099,CC1=CC(C)=[N+]2C1C(c1ccc(/N=C/c3ccc(O)c(O)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,508.0
2100,CC1=CC(C)=[N+]2C1C(c1ccc(/N=C/c3cccc(O)c3O)cc1)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,495.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,C1CCCCC1,283.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,C1CCOC1,282.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,CC#N,286.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,CCO,284.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,CCOC(C)=O,283.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,CCOCC,284.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,CO,284.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,Cc1ccccc1,282.0
15363,c1ccc2c(-n3cnc4ccccc43)cccc2c1,ClC(Cl)Cl,285.0
12821,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(C#N)C#N)c3ccccc3)cc2)cc1)c1ccccc1,C1COCCO1,507.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,ClCCl,481.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,C1COCCO1,474.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,CC#N,487.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,CC(C)=O,484.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,CCO,493.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,CCOC(C)=O,481.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,CN(C)C=O,496.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,CO,493.0
6511,CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(/C#N)C(=O)OCC)c3ccccc3)cc2)cc1)c1ccccc1,ClC(Cl)Cl,502.0
12821,N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(C#N)C#N)c3ccccc3)cc2)cc1)c1ccccc1,Cc1ccccc1,508.0
12067,F[B-]1(F)n2c(-c3cccs3)cc(-c3ccccc3)c2N=C2C(c3ccccc3)=CC(c3cccs3)=[N+]21,CC#N,710.0
12067,F[B-]1(F)n2c(-c3cccs3)cc(-c3ccccc3)c2N=C2C(c3ccccc3)=CC(c3cccs3)=[N+]21,ClCCl,718.0
905,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3c4cc5ccccc5cc4c(C#Cc4ccc(C(=O)O)cc4)c4cc5ccccc5cc34)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,429.0
11681,Cc1nc2c3ccccc3c3ccccc3n2c1C,CC#N,318.0
11464,Cc1ccc2c3ccccc3c3nccn3c2c1,CC#N,300.0
15438,c1ccc2c(c1)c1ccccc1n1ccnc21,CC#N,306.0
8864,COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3)C3(C(C(=O)O[C@@H]4C[C@H]5CC[C@@H]4C5)=C(C(=O)O[C@H]4C[C@@H]5CC[C@H]4C5)N1CC2)c1ccccc1-c1ccccc13,ClCCl,314.0
2787,CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4cc(/C=C(/C#N)C(=O)O)sc4c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc21,C1CCOC1,495.0
2788,CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc21,C1CCOC1,495.0
15365,c1ccc2c(C3=C(c4cccc5ccccc45)c4cccc5c4c(cc4nc6ccccc6nc45)O3)cccc2c1,ClCCl,486.0
15449,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1,Cc1ccccc1,343.0
6916,CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,430.0
4073,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc8c(c7)Sc7cc(/C=C(\C#N)C(=O)O)ccc7N8CCCCCC)cc6)cc5)cc4)cc3)ccc21,ClCCl,470.0
356,C(S/C=C/c1ccc(/C=C/SC=C2CCCC2)cc1)=C1CCCC1,ClCCl,350.0
7450,CN(C)c1ccc(/C=C/c2cnccn2)cc1,ClCCl,389.0
11255,Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(/C=C/c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2)cc1,CN(C)C=O,473.0
12738,N#CC(=Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,CC#N,445.0
2319,CCC1(CC)c2cc(-c3cccs3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(-c4cccs4)ccc2-3)C(CC)(CC)c2cc(-c3cccs3)ccc2-1,C1CCOC1,340.0
3463,CCCCCCCCOc1c(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc(-c2ccc(-c3c(F)c(F)c(-c4ccc(C(=O)O)cc4)c4nsnc34)s2)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,399.0
4955,CCCCCCc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)cc3Sc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc32)cc1,CN(C)C=O,436.0
4425,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4CCCCCC)c3nsnc23)cc1,ClCCl,571.0
9033,COc1ccc(-c2ccc(C(=O)NC(C)(C)C)c3c2ccc2c4ccccc4c4ccccc4c23)cc1,ClCCl,339.0
10957,Cc1ccc(-c2ccc(C(=O)NC(C)(C)C)c3c2ccc2c4ccccc4c4ccccc4c23)cc1,ClCCl,341.0
821,CC(C)(C)NC(=O)c1ccc(-c2ccccc2)c2ccc3c4ccccc4c4ccccc4c3c12,ClCCl,336.0
1276,CC(C)(C)c1ccc2c(c1)c1ccc3cccc4c5cccc6oc(=O)c2c(c65)c1c34,C1CCOC1,412.0
8891,COc1cc2oc(=O)c3c4ccc(C=O)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,425.0
8892,COc1cc2oc(=O)c3c4ccc(N(C)C)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,480.0
5166,CCCCCOc1cc2oc(=O)c3c4ccc(C#N)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,426.0
8823,COc1cc2c(c(OC)c1OC)c1ccc3cccc4c5cccc6oc(=O)c2c(c65)c1c34,C1CCOC1,417.0
5169,CCCCCOc1cc2oc(=O)c3c4ccc(N)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,471.0
5170,CCCCCOc1cc2oc(=O)c3c4ccc(O)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,443.0
5173,CCCCCOc1ccc2c(c1)c1ccc3cccc4c5cc(OC)cc6oc(=O)c2c(c65)c1c34,C1CCOC1,440.0
5174,CCCCCOc1ccc2c(c1)c1ccc3cccc4c5cccc6oc(=O)c2c(c65)c1c34,C1CCOC1,426.0
9752,COc1ccc2c(c1)c1ccc3cccc4c5cccc6oc(=O)c2c(c65)c1c34,C1CCOC1,425.0
14539,O=c1oc2cccc3c4cccc5ccc6c7cc(F)ccc7c1c(c23)c6c54,C1CCOC1,411.0
14540,O=c1oc2cccc3c4cccc5ccc6c7ccccc7c1c(c23)c6c54,C1CCOC1,409.0
13640,O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc4ccc5cccc6ccc3c4c56)o2)SC1=S,C1CCOC1,468.0
8023,CN1CCOc2cc3c(cc21)Oc1cc2c(cc1=N3)OCC[N+]=2C,CO,644.0
13539,O=C(O)C1=CC=C(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)CC1,CC#N,416.0
12499,N#C/C(=C\c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)s1)C(=O)O,C1CCOC1,470.0
175,C(/C=C/Nc1cccc2ccccc12)=[NH+]c1cccc2ccccc12,CS(C)=O,391.0
4980,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)sc1-c1ccc(C=C(C#N)C(=O)O)s1,ClCCl,470.0
10027,CSC1=C(SC)SC(=Cc2ccc(N(c3ccc(C=C4SC(SC)=C(SC)S4)cc3)c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)S1,CO,443.0
3721,CCCCCCCCc1cc(-c2cc3c(s2)/C(=C2\C(=O)N(CC(CC)CCCC)c4cc(-c5ccc(C=O)cc5)ccc42)C(=O)N3CC(CC)CCCC)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,358.0
3719,CCCCCCCCc1cc(-c2cc3c(s2)/C(=C2\C(=O)N(CC(CC)CCCC)c4cc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)ccc42)C(=O)N3CC(CC)CCCC)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,361.0
15487,c1ccc2c3c(ccc2c1)C1(c2cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc2-c2ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc21)c1ccc2ccccc2c1O3,ClC(Cl)Cl,365.0
2035,CC1=CC(C)(C)Nc2ccc3c(-c4cccc(CN5CCCCC5)c4)c4ccc(=[NH2+])cc-4oc3c21,O,540.0
6969,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(Oc3ccccc3)ccc12,O,387.0
1490,CC(C)c1cccc(C(C)C)c1-n1c(=O)c2cc3nc(-c4ccccc4)c4cc5c(=O)n(-c6c(C(C)C)cccc6C(C)C)c(=O)c6cc7nc(-c8ccccc8)c8cc(c1=O)c2c1c3c4c(c65)c7c81,ClC(Cl)Cl,488.0
10556,Cc1cc(/C=C/c2ccc3ccccc3n2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
15163,c1ccc(-n2c3ccccc3c3cc(-c4ccn5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc5c4)ccc32)cc1,C1CCOC1,341.0
1047,CC(C)(C)c1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)o2)cc1,Cc1ccccc1,396.0
13590,O=C(O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2,CO,528.0
6271,CCN(CCC(=O)O)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1,CCO,561.0
7402,CN(C)c1ccc(/C=C/C2=[N+](CCCS(=O)(=O)[O-])c3ccccc3C2(C)C)cc1,CO,557.0
7402,CN(C)c1ccc(/C=C/C2=[N+](CCCS(=O)(=O)[O-])c3ccccc3C2(C)C)cc1,ClC(Cl)Cl,557.0
10135,C[N+]1=C(/C=C/c2ccc(N(CCC(=O)O)CCC(=O)O)cc2)C(C)(C)c2ccccc21,CCO,560.0
9553,COc1ccc(N(c2ccc(OC)cc2)c2c3ccccc3c(C#Cc3ccc(C(=O)O)cc3)c3ccccc23)cc1,C1CCOC1,498.0
4949,CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3sc(-c4cc5c(s4)/C(=C4\C(=O)N(CC(CC)CCCC)c6cc(-c7ccc(/C=C(\C#N)C(=O)O)cc7)sc64)C(=O)N5CC(CC)CCCC)cc32)cc1,ClCCl,408.0
12291,N#C/C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1)C(=O)O,C1CCOC1,433.0
12512,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1)C(=O)O,C1CCOC1,434.0
12513,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1F)C(=O)O,C1CCOC1,427.0
12336,N#C/C(=C\c1c(F)cc(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1F)C(=O)O,C1CCOC1,421.0
12674,N#CC(=Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc43)s2)s1)C(=O)O,CN(C)C=O,535.0
14310,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)s1,CCCCCC,447.0
14310,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)s1,CS(C)=O,480.0
14310,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)s1,Cc1ccccc1,460.0
14310,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)s1,ClCCl,476.0
14310,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)s1,C1CCOC1,468.0
14310,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)s1,CC#N,467.0
12488,N#C/C(=C\c1ccc(-c2ccc3c(c2)Sc2ccccc2N3CCCCCCn2c3ccccc3c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc32)s1)C(=O)O,CN(C)C=O,397.0
12707,N#CC(=Cc1ccc(-c2ccc3c(c2)Sc2ccccc2N3CCCCCCn2c3ccccc3c3cc(-c4ccc(C=C(C#N)C(=O)O)s4)ccc32)s1)C(=O)O,CN(C)C=O,397.0
4590,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3SC4C(SC5C6SC7C(CCCCCC)C(/C=C(\C#N)C(=O)O)SC7C6N(c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6c8c(c9c(c6-7)C(CCCCCC)(CCCCCC)c6ccccc6-9)C(CCCCCC)(CCCCCC)c6ccccc6-8)C45)C3CCCCCC)cc2)cc1,ClCCl,538.0
13414,Nc1ccc2nc3c4ccccc4c(=[NH2+])cc-3oc2c1,CCO,600.0
14766,[NH2+]=c1cc2oc3cc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)ccc3nc-2c2ccccc12,O,633.0
6262,CCN(CC)c1ccc2nc3c4ccccc4c(=[NH2+])cc-3oc2c1,O,635.0
1434,CC(C)[Si](C#Cc1c2nsnc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c4ccccc4c(=O)c4ccccc4c3nc12)(C(C)C)C(C)C,ClCCl,561.0
4806,CCCCCCc1cc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nn(CCCCCC)nc23)sc1C=C(C#N)C(=O)O,C1CCOC1,486.0
5157,CCCCCCn1nc2c(-c3ccc(C=C(C#N)C(=O)O)s3)cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,C1CCOC1,482.0
14774,[NH2+]=c1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3c(cc4n3CCCCCC=C4)oc-2c1,O,532.0
6957,CC[N+](CC)=c1ccc2cc3c(=O)oc4cc5c(cc4c3oc-2c1)CCCN5C,O,598.0
6957,CC[N+](CC)=c1ccc2cc3c(=O)oc4cc5c(cc4c3oc-2c1)CCCN5C,ClCCl,618.0
5043,CCCCCCn1c2cc(/C=C(\C#N)C(=O)O)sc2c2sc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5cc6c(s5)c5sc(/C=C(\C#N)C(=O)O)cc5n6CCCCCC)ccc3-4)cc21,C1CCOC1,520.0
5037,CCCCCCn1c2cc(/C=C(/C#N)C(=O)O)sc2c2sc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5cc6c(s5)c5sc(/C=C(\C#N)C(=O)O)cc5n6CCCCCC)ccc3-4)cc21,C1CCOC1,520.0
3500,CCCCCCCCOc1ccc(-c2c(-c3c(-c4ccc(OCCCCCCCC)cc4)n(CCCCCCCC)c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)o5)cc34)c3cc(-c4ccc(/C=C(/C#N)C(=O)O)o4)ccc3n2CCCCCCCC)cc1,C1CCOC1,468.0
2143,CC1=[N+]2C(=C(c3ccc(C(=O)c4ccccc4)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,599.0
2143,CC1=[N+]2C(=C(c3ccc(C(=O)c4ccccc4)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,601.5
3741,CCCCCCCCc1ccc(-c2c3cc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(/C=C7\SC(=S)N(CC)C7=O)cc6CCCCCCCC)s5)s4)sc3c(-c3ccc(CCCCCCCC)s3)c3cc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(/C=C7\SC(=S)N(CC)C7=O)cc6CCCCCCCC)s5)s4)sc23)s1,ClC(Cl)Cl,509.0
13005,N#Cc1c(N2CCCCC2)cc(-c2ccc3ccccc3c2)c2c1Cc1ccccc1-2,C1CCOC1,362.0
13146,N#Cc1ccc(C2=C3C=CC(n4cnc5ccccc54)=[N+]3[B-](F)(F)n3c2ccc3-n2cnc3ccccc32)cc1,ClCCl,561.0
1414,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4cc5ccccc5cc43)nc12)(C(C)C)C(C)C,CCCCCC,536.0
1627,CC1(C)C=C(CS(=O)(=O)O)c2cc3c(-c4ccc(C(=O)O)cc4C(=O)O)c4cc5c(cc4[o+]c3cc2N1CCCS(N)(=O)=O)N(CCCS(N)(=O)=O)C(C)(C)C=C5CS(=O)(=O)O,O,594.0
8026,CN1c2cc3[o+]c4cc5c(cc4c(-c4ccc(C(=O)O)cc4C(=O)O)c3cc2C(CS(=O)(=O)[O-])=CC1(C)C)C(CS(=O)(=O)O)=CC(C)(C)N5C,O,591.0
7786,CN(CCCC(=O)O)C(=O)c1ccccc1-c1c2cc3c(cc2[o+]c2cc4c(cc12)C(CS(=O)(=O)O)=CC(C)(C)N4CCCS(N)(=O)(=O))N(CCCS(N)(=O)=O)C(C)(C)C=C3CS(=O)(=O)O,O,600.0
14164,O=P(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,371.0
7444,CN(C)c1ccc(/C=C/c2ccnc(/C=C/c3ccc(N(C)C)cc3)n2)cc1,ClCCl,385.0
14083,O=C1c2ccccc2C2=Cc3cc4c(cc3B(O)N12)OCO4,CC#N,392.0
14083,O=C1c2ccccc2C2=Cc3cc4c(cc3B(O)N12)OCO4,CO,394.0
14083,O=C1c2ccccc2C2=Cc3cc4c(cc3B(O)N12)OCO4,CS(C)=O,396.0
14083,O=C1c2ccccc2C2=Cc3cc4c(cc3B(O)N12)OCO4,ClC(Cl)Cl,397.0
4391,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc(CCCCCC)c(-c4cc5c(s4)c4sc(-c6cc(CCCCCC)c(/C=C(/C#N)C(=O)O)s6)cc4n5-c4ccc(OCCCCCC)cc4)s3)cc2)cc1,ClCCl,512.0
1236,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,487.0
1237,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,487.0
15139,c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1,C1CCCCC1,411.0
15139,c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1,C1CCOC1,413.0
15139,c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1,CC#N,411.0
15139,c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1,CCO,411.0
15139,c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1,CN(C)C=O,415.0
15139,c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1,CS(C)=O,416.0
15139,c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1,Cc1ccccc1,414.0
1635,CC1(C)CC(/C=C/c2ccc(-n3cccn3)cc2)=CC(=C(C#N)C#N)C1,C1CCOC1,405.0
1635,CC1(C)CC(/C=C/c2ccc(-n3cccn3)cc2)=CC(=C(C#N)C#N)C1,CC#N,397.0
1635,CC1(C)CC(/C=C/c2ccc(-n3cccn3)cc2)=CC(=C(C#N)C#N)C1,CCO,404.0
1635,CC1(C)CC(/C=C/c2ccc(-n3cccn3)cc2)=CC(=C(C#N)C#N)C1,CCOC(C)=O,403.0
1635,CC1(C)CC(/C=C/c2ccc(-n3cccn3)cc2)=CC(=C(C#N)C#N)C1,ClCCl,404.0
1635,CC1(C)CC(/C=C/c2ccc(-n3cccn3)cc2)=CC(=C(C#N)C#N)C1,c1ccccc1,407.0
12151,F[Si-](F)(c1ccccc1)(c1ccccc1)c1cccc2ccccc12,C1CCOC1,286.0
13966,O=C1NC(=O)c2ccc(N3CCCCC3)c3cccc1c23,ClC(Cl)Cl,414.0
7088,CCc1nc2c(nc1CC)C(c1ccccc1)=[N+]1C2=Nc2c3nc(CC)c(CC)nc3c(-c3ccccc3)n2[B-]1(F)F,C1CCOC1,685.0
1159,CC(C)(C)c1ccc2[nH]c3c(-c4ccc(N(c5ccc(C=c6sc(=C(C#N)C#N)[nH]c6=O)cc5)c5ccc(-c6cc(C(C)(C)C)cc7c6[nH]c6ccc(C(C)(C)C)cc67)cc5)cc4)cc(C(C)(C)C)cc3c2c1,ClCCl,521.0
11219,Cc1ccc(N(c2ccc(C)cc2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccc4cc(C(C)(C)C)cc5ccc2c3c54)cc1,ClCCl,424.0
1126,CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3ccc4cc(C(C)(C)C)cc5ccc2c3c54)cc1,ClCCl,425.0
979,CC(C)(C)c1cc2ccc3c(N(c4ccc(F)cc4)c4ccc(F)cc4)cc(N(c4ccc(F)cc4)c4ccc(F)cc4)c4ccc(c1)c2c34,ClCCl,414.0
980,CC(C)(C)c1cc2ccc3c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c4ccc(c1)c2c34,ClCCl,414.0
9554,COc1ccc(N(c2ccc(OC)cc2)c2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)c3ccc4cc(C(C)(C)C)cc5ccc2c3c54)cc1,ClCCl,434.0
10591,Cc1cc(/C=C/c2ccccc2P(c2ccccc2)c2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,558.0
11119,Cc1ccc(C2(c3ccc(C)cc3)c3cccc4c3N3c5c2cccc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(/C=C6/SC(=S)N(CC(=O)O)C6=O)s5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,523.0
4173,CCCCCCOc1c2cc(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(C)cc3)sc2c(OCCCCCC)c2cc(-c3cnc(C(=O)O)nc3)sc12,ClCCl,454.0
10148,C[P+]1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,ClCCl,395.0
10148,C[P+]1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,CC#N,388.0
10148,C[P+]1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,CCO,319.0
9718,COc1ccc2c(c1)SCC1=C(c3ccccc3)C3=Nc4c(-c5ccccc5)c5c(n4[B-](F)(F)[N+]3=C12)-c1ccc(OC)cc1SC5,ClC(Cl)Cl,706.0
12120,F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2cccnc2)=C2C=CC=[N+]21,ClCCl,487.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,C1CCOC1,522.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,C1COCCO1,525.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,CC(C)=O,519.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,CC(C)O,525.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,CCCCO,525.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,CCO,524.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,CCOC(C)=O,519.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,CN(C)C=O,524.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,CO,525.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,CS(C)=O,528.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,ClC(Cl)(Cl)Cl,524.0
14047,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(=O)N(c1ccncc1)C5=O,ClC(Cl)Cl,530.0
7885,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccnc3)cc2)cc1,CS(C)=O,428.0
7886,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccnc3Cl)cc2)cc1,CS(C)=O,429.0
7890,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)cc1,CS(C)=O,431.0
7859,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)cc1,CS(C)=O,431.0
11094,Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c(Cl)n1,CS(C)=O,432.0
10069,CSc1ncccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,431.0
2029,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(Oc5ccccc5)cc4)c4ccc(=[NH2+])cc-4oc3c21,O,535.0
1892,CC1(C)c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2S3(=O)=O)c2ccccc21,Cc1ccccc1,364.0
907,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3c4ccccc4c(C#Cc4ccc(C(=O)O)cc4)c4ccccc34)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,421.0
3366,CCCCCCCCN1C(=CC2=C([O-])/C(=C\c3ccc4ccccc4[n+]3CC)C2=O)C(C)(C)c2ccc(C(=O)O)cc21,CCO,656.0
8189,COC(=O)C1=C(C(=O)OC)[Se](=O)[C@]23C1=C[C@H](c1ccccc12)c1ccccc13,ClCCl,341.0
9052,COc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC)cc4)ccc2n3-c2ccc(C(=O)c3ccc4sc5ccccc5c4c3)cc2)cc1,Cc1ccccc1,366.0
1055,CC(C)(C)c1ccc(-c2sc(-c3ccc(C(C)(C)C)cc3)c3[nH]c(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)nc23)cc1,C1CCOC1,428.0
2670,CCCCC(CC)COc1ccc2nc(-c3ccc(-c4c(C)noc4C)s3)sc2c1,ClCCl,359.0
2613,CCCCC(CC)CN1c2ccc(/C=C/C(=O)O)cc2Sc2cc(/C=C/C3=CC(=C(C#N)C#N)C=C(/C=C/c4ccc5c(c4)Sc4cc(/C=C/C(=O)O)ccc4N5CC(CC)CCCC)O3)ccc21,CN(C)C=O,478.0
2617,CCCCC(CC)CN1c2ccc(/C=C\C3=CC(=C(C#N)C#N)C=C(/C=C/c4ccc5c(c4)Sc4cc(/C=N\C(=O)O)ccc4N5CC(CC)CCCC)O3)cc2Sc2cc(/C=C/C(=O)O)ccc21,CN(C)C=O,478.0
11062,Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)o1,CS(C)=O,573.0
10515,Cc1cc(/C=C/c2ccc(CO)o2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,569.0
10525,Cc1cc(/C=C/c2ccc(I)o2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,576.0
10592,Cc1cc(/C=C/c2ccco2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,567.0
10503,Cc1cc(/C=C/c2ccc(Br)o2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,572.0
6713,CCOC(=O)c1c2c3c(ccc(Br)c3c3cc4ccccc4cc13)N(C)C2=O,CC#N,404.0
6715,CCOC(=O)c1c2c3c(ccc(C)c3c3cc4ccccc4cc13)N(C)C2=O,CC#N,404.0
6717,CCOC(=O)c1c2c3c(ccc(Cl)c3c3cc4ccccc4cc13)N(C)C2=O,CC#N,408.0
6719,CCOC(=O)c1c2c3c(ccc(F)c3c3cc4ccccc4cc13)N(C)C2=O,CC#N,410.0
6721,CCOC(=O)c1c2c3c(ccc(OC)c3c3cc4ccccc4cc13)N(C)C2=O,CC#N,406.0
6723,CCOC(=O)c1c2c3c(ccc([N+](=O)[O-])c3c3cc4ccccc4cc13)N(C)C2=O,CC#N,394.0
6725,CCOC(=O)c1c2c3c(cccc3c3cc4ccccc4cc13)N(C)C2=O,CC#N,398.0
6985,CC[N+]1=C(/C=C2/C(=O)C(c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)s3)=C2[O-])Cc2cc(C(=O)O)ccc21,ClCCl,637.0
6986,CC[N+]1=C(/C=C2/C(=O)C(c3ccc(-n4c5ccccc5c5ccccc54)s3)=C2[O-])Cc2cc(C(=O)O)ccc21,ClCCl,605.0
12292,N#C/C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,C1CCOC1,448.0
12292,N#C/C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,CCO,448.0
12292,N#C/C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,CN(C)C=O,448.0
12292,N#C/C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,448.0
4701,CCCCCCc1c(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)sc(/C=C/c2sc(/C=C/c3sc(/C=C/c4sc(/C=C(\C#N)C(=O)O)c(CCCCCC)c4CCCCCC)c(CCCCCC)c3CCCCCC)c(CCCCCC)c2CCCCCC)c1CCCCCC,ClCCl,580.0
10852,Cc1cc2cc(C)c3c4ccccc4[nH]c3c2o1,ClCCl,302.0
3578,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)cc4)c4n[se]nc34)cc2)cc1,C1CCOC1,522.0
3581,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4n[se]nc34)cc2)cc1,C1CCOC1,488.0
9840,COc1ccc2nc(/N=N/c3ccc(N(C)C)cc3)sc2c1,ClCCl,506.0
5999,CCN(CC)c1ccc(/N=N/c2nc3ccc(Br)cc3s2)cc1,CC#N,520.0
5999,CCN(CC)c1ccc(/N=N/c2nc3ccc(Br)cc3s2)cc1,ClCCl,518.0
6000,CCN(CC)c1ccc(/N=N/c2nc3ccc(OC)cc3s2)cc1,CC#N,515.0
6000,CCN(CC)c1ccc(/N=N/c2nc3ccc(OC)cc3s2)cc1,ClCCl,517.0
6001,CCN(CC)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1,CC#N,546.0
6001,CCN(CC)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1,ClCCl,549.0
6818,CCOC(=O)c1ccc2nc(/N=N/c3ccc(N(CC)CC)cc3)sc2c1,CC#N,527.0
6818,CCOC(=O)c1ccc2nc(/N=N/c3ccc(N(CC)CC)cc3)sc2c1,ClCCl,526.0
9840,COc1ccc2nc(/N=N/c3ccc(N(C)C)cc3)sc2c1,CC#N,506.0
10356,Cc1c2c(c(C)c3ccccc13)-c1cc3nc4ccccc4nc3cc1-2,ClC(Cl)Cl,448.0
2817,CCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(C#Cc3cc(C#Cc4ccc5c(c4)C(C(CC)CCCCC)(C(CC)CCCCC)c4ccccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)cc(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)c6ccc3c4c65)cc21,CN(C)C=O,496.0
2817,CCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(C#Cc3cc(C#Cc4ccc5c(c4)C(C(CC)CCCCC)(C(CC)CCCCC)c4ccccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)cc(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)c6ccc3c4c65)cc21,C1CCCCC1,486.0
2817,CCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(C#Cc3cc(C#Cc4ccc5c(c4)C(C(CC)CCCCC)(C(CC)CCCCC)c4ccccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)cc(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)c6ccc3c4c65)cc21,C1CCOC1,492.0
2817,CCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(C#Cc3cc(C#Cc4ccc5c(c4)C(C(CC)CCCCC)(C(CC)CCCCC)c4ccccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)cc(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)c6ccc3c4c65)cc21,CCOC(C)=O,488.0
2817,CCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(C#Cc3cc(C#Cc4ccc5c(c4)C(C(CC)CCCCC)(C(CC)CCCCC)c4ccccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)cc(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)c6ccc3c4c65)cc21,Cc1ccccc1,488.0
2817,CCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(C#Cc3cc(C#Cc4ccc5c(c4)C(C(CC)CCCCC)(C(CC)CCCCC)c4ccccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)cc(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)c6ccc3c4c65)cc21,ClC(Cl)Cl,491.0
2817,CCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(C#Cc3cc(C#Cc4ccc5c(c4)C(C(CC)CCCCC)(C(CC)CCCCC)c4ccccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)cc(C#Cc6ccc7c(c6)C(C(CC)CCCCC)(C(CC)CCCCC)c6ccccc6-7)c6ccc3c4c65)cc21,ClCCl,492.0
2379,CCC1(CC)c2ccccc2-c2ccc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4ccccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6ccccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6ccccc6-7)c6ccc3c4c65)cc21,Cc1ccccc1,488.0
9348,COc1ccc(C#Cc2ccc(N(c3ccc(C#Cc4ccc(C=C(C#N)C(=O)O)cc4)cc3)c3ccc(C#Cc4ccc(/C=C(/C#N)C(=O)O)cc4)cc3)cc2)cc1,ClC(Cl)Cl,350.0
9349,COc1ccc(C#Cc2ccc(N(c3ccc(C#Cc4ccc(C=C(C#N)C(=O)O)cc4)cc3)c3ccc(C#Cc4ccc(OC)cc4)cc3)cc2)cc1,ClC(Cl)Cl,435.0
12748,N#CC(=Cc1ccc(C#Cc2ccc(N(c3ccc(C#Cc4ccc(/C=C(/C#N)C(=O)O)cc4)cc3)c3ccc(C#Cc4ccc(O/C=C(\C#N)C(=O)O)cc4)cc3)cc2)cc1)C(=O)O,ClC(Cl)Cl,440.0
11064,Cc1ccc(/C=C/c2ccccc2-[n+]2cc([O-])on2)cc1,C1CCCCC1,310.0
11064,Cc1ccc(/C=C/c2ccccc2-[n+]2cc([O-])on2)cc1,CC#N,304.0
11066,Cc1ccc(/C=C/c2ccccc2-[n+]2noc([O-])c2C)cc1,C1CCCCC1,314.0
11066,Cc1ccc(/C=C/c2ccccc2-[n+]2noc([O-])c2C)cc1,CC#N,310.0
11066,Cc1ccc(/C=C/c2ccccc2-[n+]2noc([O-])c2C)cc1,CCO,312.0
12925,N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S,CCCCO,441.0
12925,N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S,CCCO,431.0
12925,N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S,CCO,407.0
12925,N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S,CCOC(C)=O,430.0
12925,N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S,CCOCC,451.0
12925,N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S,CN(C)C=O,439.0
12925,N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S,C1COCCO1,446.0
10935,Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,C1CCCCC1,488.0
10935,Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,C1COCCO1,442.0
10935,Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,CC#N,430.0
10935,Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,CCOCC,440.0
10935,Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,CN(C)C=O,438.0
10935,Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,ClC(Cl)(Cl)Cl,446.0
12925,N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S,CC#N,434.0
5369,CCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3nc4ccccc4n3-c3ccccc3)ccc21,C1CCOC1,438.0
2608,CCCCC(CC)CN1c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(CC)CCCC)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,456.0
3251,CCCCCCCCCCCCc1cc(-c2ccc3c(c2)C2C4CCC(C4)C2N3c2ccc(-c3ccc(OC)cc3)cc2)sc1-c1cc2sc(/C=C(/C#N)C(=O)O)cc2s1,ClCCl,520.0
1808,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5c(F)c(F)c(-c6ccc(/C=C(\C#N)C(=O)O)s6)c6nsnc56)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,461.0
1809,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5c(F)cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)c6nsnc56)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,538.0
1810,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)c6nsnc56)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,535.0
1810,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)c6nsnc56)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,CCO,534.0
4879,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2CCCCCC)c2nsnc12,CCO,468.0
3134,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5cccs5)c(OC)cc4c3c3c2ccc2cc(-c4cccs4)c(OC)cc23)C1=O,ClCCl,452.0
12042,F[B-]1(F)OC(c2ccccc2)=Cc2cc(Cl)nc[n+]21,C1CCOC1,374.0
12042,F[B-]1(F)OC(c2ccccc2)=Cc2cc(Cl)nc[n+]21,CC#N,371.0
12042,F[B-]1(F)OC(c2ccccc2)=Cc2cc(Cl)nc[n+]21,CCCCCC,373.0
12042,F[B-]1(F)OC(c2ccccc2)=Cc2cc(Cl)nc[n+]21,Cc1ccccc1,377.0
12042,F[B-]1(F)OC(c2ccccc2)=Cc2cc(Cl)nc[n+]21,ClC(Cl)Cl,376.0
7569,CN(C)c1ccc(C2=Cc3cc(Cl)nc[n+]3[B-](F)(F)O2)cc1,C1CCOC1,451.0
7569,CN(C)c1ccc(C2=Cc3cc(Cl)nc[n+]3[B-](F)(F)O2)cc1,CC#N,452.0
7569,CN(C)c1ccc(C2=Cc3cc(Cl)nc[n+]3[B-](F)(F)O2)cc1,CCCCCC,444.0
7569,CN(C)c1ccc(C2=Cc3cc(Cl)nc[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,453.0
7569,CN(C)c1ccc(C2=Cc3cc(Cl)nc[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,460.0
7569,CN(C)c1ccc(C2=Cc3cc(Cl)nc[n+]3[B-](F)(F)O2)cc1,ClCCl,459.0
12028,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2cc(Cl)nc[n+]21,C1CCOC1,371.0
12028,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2cc(Cl)nc[n+]21,CC#N,368.0
12028,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2cc(Cl)nc[n+]21,CCCCCC,370.0
12028,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2cc(Cl)nc[n+]21,Cc1ccccc1,374.0
12028,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2cc(Cl)nc[n+]21,ClC(Cl)Cl,372.0
12028,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2cc(Cl)nc[n+]21,ClCCl,372.0
12042,F[B-]1(F)OC(c2ccccc2)=Cc2cc(Cl)nc[n+]21,ClCCl,375.0
10260,C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cn4)cc3)cc2)nc1,O,525.0
10260,C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cn4)cc3)cc2)nc1,OCC(O)CO,560.0
10260,C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cn4)cc3)cc2)nc1,CS(C)=O,500.0
8111,COC(=O)/C(C#N)=c1/cc/c(=c2/cc/c(=C(\C#N)C(=O)OC)s2)s1,Cc1ccccc1,550.0
7138,CCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2nc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3nc21,CN(C)C=O,413.0
3799,CCCCCCCCn1c(=O)c2cc3c(C#Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c(C#Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)c3cc2c1=O,ClC(Cl)Cl,582.0
3965,CCCCCCN1C(=O)C2=C(c3ccc(-c4ccc5c(c4)Sc4ccccc4N5CCCCCC)cc3)N(CCCCCC)C(=O)C2=C1c1ccc(/C=C(\C#N)C(=O)O)cc1,ClCCl,523.0
15284,c1ccc(N(c2ccccc2)c2ccc(-c3ncc(-c4ccncc4)s3)cc2)cc1,CO,397.0
14666,Oc1ccc2ccccc2c1-c1nn(-c2ccccc2)nc1C1=CCCCC1,CO,292.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,C1CCOC1,481.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,C1COCCO1,475.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,CC#N,488.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,CC(C)=O,487.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,CCO,489.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,CCOC(C)=O,478.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,CN(C)C=O,495.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,CS(C)=O,500.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,Cc1ccccc1,477.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,ClC(Cl)Cl,488.0
6215,CCN(CC)c1ccc2cc(/C=C/C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1,ClCCl,490.0
13531,O=C(O)C1=C(C(=O)O)C2=C[C@H]3c4ccccc4[C@]2([Se]1)c1ccccc13,ClCCl,421.0
8187,COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2([Se]1)c1ccccc13,ClCCl,370.0
9321,COc1ccc(C#Cc2c(C#Cc3ccc(OC)cc3)c(C#Cc3ccc(OC)cc3)c(C#Cc3ccc(OC)cc3)c(C#Cc3ccc(OC)cc3)c2C#Cc2ccc(OC)cc2)cc1,ClCCl,386.0
110,C(#Cc1c(C#Cc2ccccc2)c(C#Cc2ccccc2)c(C#Cc2ccccc2)c(C#Cc2ccccc2)c1C#Cc1ccccc1)c1ccccc1,ClCCl,371.0
12206,Fc1ccc(C#Cc2c(C#Cc3ccc(F)cc3)c(C#Cc3ccc(F)cc3)c(C#Cc3ccc(F)cc3)c(C#Cc3ccc(F)cc3)c2C#Cc2ccc(F)cc2)cc1,ClCCl,368.0
1075,CC(C)(C)c1ccc(C#Cc2c(C#Cc3ccc(C(C)(C)C)cc3)c(C#Cc3ccc(C(C)(C)C)cc3)c(C#Cc3ccc(C(C)(C)C)cc3)c(C#Cc3ccc(C(C)(C)C)cc3)c2C#Cc2ccc(C(C)(C)C)cc2)cc1,ClCCl,379.0
15262,c1ccc(N(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,CC#N,372.0
15262,c1ccc(N(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,CO,375.0
15262,c1ccc(N(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,ClCCl,387.0
15262,c1ccc(N(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1,O,369.0
12749,N#CC(=Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1)C(=O)O,ClC(Cl)Cl,418.0
7006,CC[P](CC)(CC)[Pt](C#Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)(C#Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1)[P](CC)(CC)CC,ClCCl,511.0
2358,CCC1(CC)c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc4ccc5cccc6ccc3c4c56)cc21,C1CCOC1,415.0
2358,CCC1(CC)c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc4ccc5cccc6ccc3c4c56)cc21,CC#N,420.0
2358,CCC1(CC)c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc4ccc5cccc6ccc3c4c56)cc21,CO,410.0
2358,CCC1(CC)c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc4ccc5cccc6ccc3c4c56)cc21,Cc1ccccc1,419.0
2358,CCC1(CC)c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc4ccc5cccc6ccc3c4c56)cc21,ClCCl,417.0
14178,O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21,C1CCOC1,340.0
1876,CC1(C)c2ccccc2N(c2ccc(-c3ncc(C#N)cn3)cc2)c2ccccc21,Cc1ccccc1,396.0
1877,CC1(C)c2ccccc2N(c2ccc(-c3ncccn3)cc2)c2ccccc21,Cc1ccccc1,359.0
15124,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5ccccc5)cc4cc23)cc1,CCCCOCCCC,451.059991
15124,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5ccccc5)cc4cc23)cc1,CN(C)C=O,450.0450045
15124,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5ccccc5)cc4cc23)cc1,C1CCCCC1,452.079566
15124,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5ccccc5)cc4cc23)cc1,C1CCOC1,450.0450045
15124,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5ccccc5)cc4cc23)cc1,CC#N,447.0272687
15124,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5ccccc5)cc4cc23)cc1,CC(C)=O,448.0286738
15124,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5ccccc5)cc4cc23)cc1,CCCCCl,451.059991
5218,CCCCN(CCCC)c1ccc(-c2ccc(/C=C/c3ccc(C(=O)[O-])c[n+]3C)s2)s1,CC#N,555.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,C1COCCO1,524.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,516.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,CC(C)O,518.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,CCO,516.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,520.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,524.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,CO,514.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,CS(C)=O,521.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,527.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,ClC(Cl)Cl,523.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,522.0
2424,CCC1=C(C)C2=C(C)c3c(C)c(-c4csc(N5CCOCC5)n4)c(C)n3[B-](F)(F)[N+]2=C1C,C1CCOC1,524.0
3322,CCCCCCCCCCc1nc(-c2nc(CCCCCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc2c3ccccc3n(CCCC)c2c1,C1CCOC1,428.0
13637,O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc(N(c4ccc(-c5ccc(C=C6SC(=S)N(CC(=O)O)C6=O)s5)cc4)c4ccc(-c5ccc(C=C6SC(=S)N(CC(=O)O)C6=O)s5)cc4)cc3)s2)SC1=S,CN(C)C=O,510.0
2875,CCCCCCC1(CCCCCC)c2cc(-c3cc4c(s3)c3sc(/C=C(/C#N)C(=O)O)cc3n4-c3ccc(OC)cc3)ccc2-c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(OC)cc3)cc21,C1CCOC1,514.0
2877,CCCCCCC1(CCCCCC)c2cc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(OC)cc3)ccc2-c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(OC)cc3)cc21,C1CCOC1,514.0
12954,N#Cc1c(-n2cc(-c3ccccc3)nn2)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12,CO,295.0
8799,COc1cc(OC)cc(C2=[O+][B-](F)(F)OC(c3ccc4cc(OC)ccc4c3)=C2)c1,ClCCl,427.0
8800,COc1cc(OC)cc(C2=[O+][B-](F)(F)OC(c3ccc4ccccc4c3)=C2)c1,ClCCl,402.0
1202,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cccs2)s1,ClCCl,340.0
12440,N#C/C(=C\c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)s2)s1)C(=O)O,ClCCl,440.0
1199,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,435.0
7159,CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc3n(CC)c21,C1CCOC1,442.0
5487,CCCCOc1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(OCCCC)cc4OCCCC)cc3)cc2)c(OCCCC)c1,CO,502.0
1027,CC(C)(C)c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1,CCO,450.0
13699,O=C(O)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccccn34)cc2)s1,CC#N,362.0
8304,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc4c(c3)OCCO4)sc12,CC#N,398.0
8304,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc4c(c3)OCCO4)sc12,ClCCl,402.0
2477,CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4ccccc43)C(F)(F)C(F)(F)C2(F)F)c2ccccc2S1(=O)=O,C1COCCO1,310.0
15466,c1ccc2c(c1)ccc1ncc3ccc4cnccc4c3c12,CC#N,403.0
13631,O=C(O)CN1C(=O)/C(=C\c2ccc(N(c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)cc2)SC1=S,CCO,477.0
3071,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(/C=C3/SC(=S)C(CC(=O)O)C3=O)sc2-c2sc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(OCCCCCC)cc6)s5)cc4)c4ccc(-c5ccc(-c6ccc(OCCCCCC)cc6)s5)cc4)cc3)cc21,ClC(Cl)Cl,565.0
15500,c1ccc2cc3c(cc2c1)cc1ccc2cc4c5cc6ccccc6cc5cc5ccc6cc3c1c2c6c54,Cc1ccccc1,542.0
8872,COc1cc2c3ccccc3c3cncnc3c2c(OC)c1OC,ClCCl,353.0
15436,c1ccc2c(c1)c1ccccc1c1ncncc21,ClCCl,346.0
1288,CC(C)(C)c1ccc2c3ccccc3c3cncnc3c2c1,ClCCl,348.0
4216,CCCCCCOc1cc(OCCCCCC)c2c(c1)C(C)(C)c1ccc(N(c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5(CCCCCC)CCCCCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(OCCCCCC)cc(OCCCCCC)c3-4)cc1-2,ClCCl,554.0
4217,CCCCCCOc1cc(OCCCCCC)c2c(c1)C(C)(C)c1ccc(N(c3ccc(-c4cc5c(s4)-c4sc(C=C(C#N)C(=O)O)cc4C5(CCCCCC)CCCCCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(OCCCCCC)cc(OCCCCCC)c3-4)cc1-2,ClCCl,554.0
11683,Cc1nc2cc3c4c(cccc4c2o1)C(=O)OC3=O,CCO,362.0
2462,CCC1=C(C)C2C(c3ccc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(C(C)(C)C)cc5)cc4)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClC(Cl)Cl,526.0
300,C(=C/c1nccc2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,402.0
300,C(=C/c1nccc2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,402.0
14516,O=c1ccc2cc3c(cc2o1)OCC3,CC(C)O,333.0
14516,O=c1ccc2cc3c(cc2o1)OCC3,CCO,333.0
14516,O=c1ccc2cc3c(cc2o1)OCC3,CCOCC,330.0
14516,O=c1ccc2cc3c(cc2o1)OCC3,CO,333.0
14516,O=c1ccc2cc3c(cc2o1)OCC3,O,336.0
3849,CCCCCCCCn1c2ccccc2c2cc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)ccc21,ClC(Cl)Cl,531.0
3848,CCCCCCCCn1c2ccccc2c2cc(C3=C(C)C4=C(CCCCC)c5c(C)c(/C=C(\C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)ccc21,ClC(Cl)Cl,531.0
11667,Cc1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2s1,C1CCOC1,423.0
12248,Fc1nc(F)c(F)c(C#Cc2cc3c(cc2C#Cc2c(F)c(F)nc(F)c2F)OC2(CCCCC2)O3)c1F,CC#N,360.0
11136,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1CCCCC1,564.0
11136,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1CCOC1,560.0
11136,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1COCCO1,562.0
11136,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CCOC(C)=O,558.0
11136,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CO,556.0
11136,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,Cc1ccccc1,566.0
11136,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,ClC(Cl)Cl,564.0
10111,C[N+](C)=c1ccc2c(-c3ccccc3C(=O)O)c3c(ccc4ccc(O)cc43)oc-2c1,O,560.0
15001,c1ccc(-c2ccc3c4ccc(-c5ccccc5)c5c(-c6ccccc6)ccc(c6cccc2c63)c54)cc1,ClCCl,473.0
200,C(=C/c1c2ccccc2cc2ccccc12)\c1ccccc1,CC#N,385.0
200,C(=C/c1c2ccccc2cc2ccccc12)\c1ccccc1,CC1CCCCC1,385.0
5140,CCCCCCn1c2ccsc2c2sc3c(sc4c5sccc5n(CCCCCC)c43)c21,ClCCl,380.0
5049,CCCCCCn1c2cc(C=C(C#N)C#N)sc2c2sc3c(sc4c5sc(C=C(C#N)C#N)cc5n(CCCCCC)c43)c21,ClCCl,588.0
5055,CCCCCCn1c2cc(C=O)sc2c2sc3c(sc4c5sc(C=O)cc5n(CCCCCC)c43)c21,ClCCl,468.0
2716,CCCCC(CC)Cn1c2cc(/C=C(/C#N)C(=O)O)sc2c2sc3c(sc4c5sc(/C=C(\C#N)C(=O)O)cc5n(CC(CC)CCCC)c43)c21,C1CCOC1,549.0
2977,CCCCCCCCC(CCCCCCCC)n1c2cc(/C=C(/C#N)C(=O)O)sc2c2sc3c(sc4c5sc(/C=C(\C#N)C(=O)O)cc5n(C(CCCCCCCC)CCCCCCCC)c43)c21,C1CCOC1,556.0
13031,N#Cc1cc(-n2c3ccccc3c3cc(Br)ccc32)c(-n2c3ccccc3c3cc(Br)ccc32)cc1C#N,C1CCOC1,366.0
13032,N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(Br)ccc32)cc1C#N,C1CCOC1,366.0
13034,N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N,C1CCOC1,368.0
13034,N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N,CC#N,367.0
13034,N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N,Cc1ccccc1,375.0
13034,N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N,ClCCl,364.0
7520,CN(C)c1ccc(C#Cc2ncnc3ccccc23)cc1,ClCCl,384.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,C1CCOC1,354.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,CC#N,365.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,CC(C)=O,365.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,CCCCCC,367.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,CCO,366.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,CCOC(C)=O,366.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,CO,362.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,CS(C)=O,368.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,Cc1ccc(C)cc1,368.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,ClC(Cl)(Cl)Cl,369.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,ClC(Cl)Cl,368.0
983,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3ccccc3c3ccccc3c21,c1ccccc1,369.0
6033,CCN(CC)c1ccc(C=Cc2nc3nc4ccccc4nc3s2)c(OC)c1,CO,485.0
6034,CCN(CC)c1ccc(C=Cc2nc3nc4ccccc4nc3s2)cc1,CO,490.0
6234,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccco3)oc2c1,CCO,424.0
6234,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccco3)oc2c1,ClCCl,430.0
10687,Cc1cc(C)c(B(c2ccc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1,C1CCOC1,375.0
10687,Cc1cc(C)c(B(c2ccc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1,CC(C)=O,373.0
10687,Cc1cc(C)c(B(c2ccc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1,CS(C)=O,378.0
10687,Cc1cc(C)c(B(c2ccc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,374.0
10687,Cc1cc(C)c(B(c2ccc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1,ClCCl,371.0
13950,O=C1Cc2cc3c(cc2CCCc2ccc(cc2)CCC3)CC(=O)Cc2ccc(c3nsnc23)C1,C1CCCCC1,401.0
13950,O=C1Cc2cc3c(cc2CCCc2ccc(cc2)CCC3)CC(=O)Cc2ccc(c3nsnc23)C1,CC#N,404.0
13950,O=C1Cc2cc3c(cc2CCCc2ccc(cc2)CCC3)CC(=O)Cc2ccc(c3nsnc23)C1,ClC(Cl)Cl,404.0
11837,Cn1c(=O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(O)c2ccccc21,C1CCOC1,467.0
11837,Cn1c(=O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(O)c2ccccc21,CC(C)=O,465.0
11837,Cn1c(=O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(O)c2ccccc21,CCOC(C)=O,464.0
11837,Cn1c(=O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(O)c2ccccc21,CO,468.0
11837,Cn1c(=O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(O)c2ccccc21,CS(C)=O,470.0
11837,Cn1c(=O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(O)c2ccccc21,Cc1ccccc1,469.0
11837,Cn1c(=O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(O)c2ccccc21,ClCCl,467.0
11837,Cn1c(=O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c(O)c2ccccc21,O,456.0
8226,COC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N[C@@H](CC1=CCc2ccccc21)C(=O)OC)NC(=O)OC(C)(C)C,CO,280.0
8226,COC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N[C@@H](CC1=CCc2ccccc21)C(=O)OC)NC(=O)OC(C)(C)C,CC#N,280.0
8226,COC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N[C@@H](CC1=CCc2ccccc21)C(=O)OC)NC(=O)OC(C)(C)C,CCOC(C)=O,280.0
164,C(#Cc1ccncc1)C(C#Cc1ccncc1)=Cc1ccc(C=C(C#Cc2ccncc2)C#Cc2ccncc2)s1,ClC(Cl)Cl,522.0
428,C1=CC2=CC=CC3C=c4c(cc5cccc6cccc4c65)C(=C1)C23,ClCCl,543.0
9772,COc1ccc2c3c(c4ccc(OC)cc4c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-3,C1CCCCC1,386.0
2747,CCCCC(CC)Cn1c2ccccc2c2ccc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc6c7ccccc7n(CC(CC)CCCC)c6c5)ccc3-4)cc21,Cc1ccccc1,370.0
2747,CCCCC(CC)Cn1c2ccccc2c2ccc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc6c7ccccc7n(CC(CC)CCCC)c6c5)ccc3-4)cc21,ClC(Cl)Cl,371.0
2688,CCCCC(CC)Cc1cc(C)sc1-c1nc2c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)sc3c3sc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)cc3c2nc1-c1sc(C)cc1CC(CC)CCCC,C1CCOC1,414.0
14965,c1ccc(-c2cc3cc4cc5oc(-c6ccccc6)cc5cc4cc3o2)cc1,ClCCl,408.0
6135,CCN(CC)c1ccc2c(c1)O/C(=C\C=c1/cc3c(oc1=O)=CC(=[N+](CC)CC)C=C3)C=C2c1ccccc1C(=O)O,CO,630.0
1448,CC(C)[Si](C#Cc1ccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3c4cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3c2c1)(C(C)C)C(C)C,ClCCl,394.0
15461,c1ccc2c(c1)ccc1c3ccccc3ccc21,ClCCl,322.0
3273,CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,CC#N,391.0
3273,CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,CCO,400.0
3273,CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,CCOC(C)=O,390.0
3273,CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,CO,400.0
3273,CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,CS(C)=O,402.0
3273,CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,Cc1ccccc1,399.0
3273,CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,ClC(Cl)Cl,404.0
3681,CCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-],C1COCCO1,397.0
3681,CCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-],CC#N,390.0
3681,CCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-],CCO,397.0
3681,CCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-],CCOC(C)=O,392.0
3681,CCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-],CO,399.0
3681,CCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-],CS(C)=O,401.0
3681,CCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-],Cc1ccccc1,402.0
3681,CCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-],ClC(Cl)Cl,402.0
5150,CCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,C1COCCO1,391.0
5150,CCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,CC#N,389.0
5150,CCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,CCO,396.0
5150,CCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,CS(C)=O,402.0
5150,CCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,Cc1ccccc1,394.0
5150,CCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,ClC(Cl)Cl,399.0
3273,CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1,C1COCCO1,393.0
11116,Cc1ccc(C2(c3ccc(C)cc3)c3cccc4c3N3c5c2cccc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,426.0
5537,CCCC[C@H](C)Cc1ccc(-c2ccc(-c3cc4c(cc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)cc5)n4-c4ccc(OC[C@@H](CC)CCCC)cc4)n3-c3ccc(OC[C@@H](CC)CCCC)cc3)cc2)cc1,ClCCl,506.0
4609,CCCCCCOc1ccc(N2c3ccccc3Sc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)nc45)ccc32)cc1,ClCCl,470.0
14268,O=S1(=O)c2ccccc2C2(c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)c2ccccc21,ClCCl,380.0
7145,CCn1c2ccc(/C=C(/C#N)C(=O)O)cc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(c6ccc(N(C)C)cc6)c6ccc(N(C)C)cc6)cc5)s4)s3)cc21,ClC(Cl)Cl,408.0
11045,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)s3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2sc(/C=C(\C#N)C(=O)O)c3c2OCCO3)=C2/C=CC(=N2)/C=4c2ccc(C)s2)s1,ClC(Cl)Cl,559.0
3685,CCCCCCCC[N+]1=C(/C=C2/C(=O)C(/C=C3/N(CC)c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4C3(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CCO,660.0
3703,CCCCCCCC[N+]1=C(C=C2C(=O)C(/C=C3/N(CC)c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4C3(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CCO,652.0
3704,CCCCCCCC[N+]1=C(C=C2C(=O)C(/C=C3/N(CC)c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4C3(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CCO,658.0
11776,Clc1ccc(C2=Cc3c(-c4ccc(Cl)cc4)cc[n+]4cccc(c34)O2)cc1,ClCCl,396.0
12214,Fc1ccc(C2=Cc3c(-c4ccc(F)cc4)cc[n+]4cccc(c34)O2)cc1,ClCCl,390.0
9447,COc1ccc(C2=Cc3c(-c4ccc(OC)cc4)cc[n+]4cccc(c34)O2)cc1,ClCCl,407.0
14311,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(Br)cc2)s1,C1CCOC1,461.0
14311,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(Br)cc2)s1,CC#N,464.0
14311,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(Br)cc2)s1,CCCCCC,439.0
14311,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(Br)cc2)s1,CS(C)=O,474.0
14311,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(Br)cc2)s1,Cc1ccccc1,457.0
14311,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(Br)cc2)s1,ClCCl,470.0
10982,Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,C1CCOC1,466.0
10982,Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CC#N,470.0
10982,Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CCCCCC,446.0
10982,Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CS(C)=O,485.0
10982,Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,Cc1ccccc1,461.0
10982,Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,ClCCl,476.0
14314,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,C1CCOC1,460.0
14314,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CC#N,463.0
14314,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CCCCCC,439.0
14314,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CS(C)=O,483.0
14314,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,Cc1ccccc1,457.0
14314,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,ClCCl,470.0
12856,N#CC(C#N)=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,C1CCOC1,496.0
12856,N#CC(C#N)=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CC#N,491.0
7364,CN(C)c1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,C1CCOC1,493.0
7364,CN(C)c1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CCCCCC,470.0
7364,CN(C)c1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])s2)cc1,Cc1ccccc1,491.0
12856,N#CC(C#N)=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CCCCCC,497.0
12856,N#CC(C#N)=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CS(C)=O,499.0
12856,N#CC(C#N)=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,Cc1ccccc1,499.0
12856,N#CC(C#N)=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,ClCCl,506.0
14137,O=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CC#N,408.0
14137,O=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CCCCCC,401.0
14137,O=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,CS(C)=O,416.0
14137,O=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,Cc1ccccc1,412.0
14137,O=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,ClCCl,415.0
14137,O=Cc1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)s1,C1CCOC1,409.0
12147,F[Si-](F)(c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,392.0
1078,CC(C)(C)c1ccc(C#Cc2cc3c(C#Cc4ccc(C(C)(C)C)cc4)c(C#Cc4ccc(C(C)(C)C)cc4)c4cc(C#Cc5ccc(C(C)(C)C)cc5)cc5c(C#Cc6ccc(C(C)(C)C)cc6)c(C#Cc6ccc(C(C)(C)C)cc6)c(c2)c3c45)cc1,ClCCl,414.0
3295,CCCCCCCCCCOc1ccc(C#Cc2cc3c(C#Cc4ccc(OCCCCCCCCCC)cc4)c(C#Cc4ccc(OCCCCCCCCCC)cc4)c4cc(C#Cc5ccc(OCCCCCCCCCC)cc5)cc5c(C#Cc6ccc(OCCCCCCCCCC)cc6)c(C#Cc6ccc(OCCCCCCCCCC)cc6)c(c2)c3c45)cc1,ClCCl,421.0
11843,Cn1c(=O)c2c(nc(/C=C/C(=O)OC(C)(C)C)n2C)n(C)c1=O,ClCCl,348.0
529,C=CCn1c(=O)c2c(nc(/C=C/C(=O)OCCCC)n2C)n(C)c1=O,ClCCl,351.0
11848,Cn1c(=O)c2c(ncn2C)n(C)c1=O,O,258.0
8124,COC(=O)/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,ClCCl,353.0
5443,CCCCOC(=O)/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,ClCCl,353.0
5444,CCCCOC(=O)/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC,ClCCl,349.0
5445,CCCCOC(=O)/C=C/c1nc2c(c(=O)n(CCCC)c(=O)n2C)n1C,ClCCl,353.0
7256,CN(C)C(=O)/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,ClCCl,348.0
12018,F[B-]1(F)N2C=CN=CC2=[N+]2[N+]1=Cc1c(-c3ccccc3)cc(-c3cccs3)n1[B-]2(F)F,ClCCl,533.0
10913,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(C)c5ccc(-c6ccccc6)c(F)c5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,649.0
4442,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc(CCCCCC)c(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)c4nsnc34)cc2)cc1,ClCCl,553.0
13692,O=C(O)c1ccc(-c2c3cc4c5c(c3[o+]c3c6c7c(cc23)CCCN7CCC6)CCCN5CCC4)c(C(=O)O)c1,CCO,572.0
13586,O=C(O)CCOCCOCCNS(=O)(=O)c1ccc(-c2c3cc4c5c(c3[o+]c3c6c7c(cc23)CCCN7CCC6)CCCN5CCC4)c(S(=O)(=O)O)c1,CCO,581.0
13561,O=C(O)CCCCCNS(=O)(=O)c1ccc(-c2c3cc4c5c(c3[o+]c3c6c7c(cc23)CCCN7CCC6)CCCN5CCC4)c(S(=O)(=O)O)c1,CCO,581.0
13562,O=C(O)CCCCCNS(=O)(=O)c1ccc(-c2c3cc4c5c(c3[o+]c3c6c7c(cc23)CCCN7CCC6)CCCN5CCC4)c(S(=O)(=O)[O-])c1,CCO,581.0
7104,CCn1c(-c2cc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3CC)c3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc(-c2ccccc2)c1-c1ccccc1,C1CCOC1,424.0
5889,CCCc1ccc(C#Cc2cc(C#Cc3ccc(CCC)cc3)c3ccc4c(C#Cc5ccc(CCC)cc5)cc(C#Cc5ccc(CCC)cc5)c5ccc2c3c54)cc1,ClCCl,470.0
5890,CCCc1ccc(C#Cc2cc(C#Cc3ccc(CCC)cc3)c3ccc4c(C#Cc5ccc(N(C)C)cc5)cc(C#Cc5ccc(CCC)cc5)c5ccc2c3c54)cc1,ClCCl,473.0
5891,CCCc1ccc(C#Cc2cc(C#Cc3ccc(N(C)C)cc3)c3ccc4c(C#Cc5ccc(N(C)C)cc5)cc(C#Cc5ccc(CCC)cc5)c5ccc2c3c54)cc1,ClCCl,488.0
5892,CCCc1ccc(C#Cc2cc(C#Cc3ccc(N(C)C)cc3)c3ccc4c(C#Cc5ccc(N(C)C)cc5)cc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c54)cc1,ClCCl,508.0
11979,FC(F)(F)c1ccc(C#Cc2cc(C#Cc3ccc(C(F)(F)F)cc3)c3ccc4c(C#Cc5ccc(C(F)(F)F)cc5)cc(C#Cc5ccc(C(F)(F)F)cc5)c5ccc2c3c54)cc1,ClCCl,467.0
7487,CN(C)c1ccc(C#Cc2cc(C#Cc3ccc(C(F)(F)F)cc3)c3ccc4c(C#Cc5ccc(C(F)(F)F)cc5)cc(C#Cc5ccc(C(F)(F)F)cc5)c5ccc2c3c54)cc1,ClCCl,501.0
7488,CN(C)c1ccc(C#Cc2cc(C#Cc3ccc(C(F)(F)F)cc3)c3ccc4c(C#Cc5ccc(C(F)(F)F)cc5)cc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c54)cc1,ClCCl,506.0
7489,CN(C)c1ccc(C#Cc2cc(C#Cc3ccc(C(F)(F)F)cc3)c3ccc4c(C#Cc5ccc(N(C)C)cc5)cc(C#Cc5ccc(C(F)(F)F)cc5)c5ccc2c3c45)cc1,ClCCl,509.0
7490,CN(C)c1ccc(C#Cc2cc(C#Cc3ccc(N(C)C)cc3)c3ccc4c(C#Cc5ccc(C(F)(F)F)cc5)cc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c54)cc1,ClCCl,506.0
7491,CN(C)c1ccc(C#Cc2cc(C#Cc3ccc(N(C)C)cc3)c3ccc4c(C#Cc5ccc(N(C)C)cc5)cc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c54)cc1,ClCCl,508.0
8336,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3ccccc3o2)n1,ClC(Cl)Cl,370.51
14621,Oc1ccc(-c2ccccc2)cc1-c1ncc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)o1,Cc1ccccc1,368.0
1411,CC(C)[Si](C#Cc1c2ccc(C(C)(C)C)cc2c(C#Cc2c3ccc(C(C)(C)C)cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(C)(C)C)cc23)c2ccc(C(C)(C)C)cc12)(C(C)C)C(C)C,Cc1ccccc1,523.0
3109,CCCCCCCCCCCCCN1/C(=C\C=2C(=O)C(=Cc3cc(C(C)(C)C)[o+]c(C(C)(C)C)c3)C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,ClC(Cl)Cl,688.0
5292,CCCCN1/C(=C/C=2C(=O)/C(=C\c3cc(C(C)(C)C)[o+]c(C(C)(C)C)c3)C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,ClC(Cl)Cl,688.0
7289,CN(C)c1cc2c(cc1F)c(=O)c1cc(F)c(N3CCCCC3)cc1n2C,CCO,364.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,CN(C)C=O,385.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,CO,389.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,CS(C)=O,400.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,ClC(Cl)(Cl)Cl,371.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,ClC(Cl)Cl,383.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,ClCCl,387.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,C1CCOC1,374.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,C1COCCO1,373.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,CC#N,379.0
6552,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1,CCO,395.0
7268,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1,C1CCCCC1,390.0
7268,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1,C1CCOC1,393.0
7268,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1,CC#N,394.0
7268,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1,CC(C)=O,393.0
7268,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1,CCO,391.0
7268,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1,CN(C)C=O,398.0
7268,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1,CO,391.0
7268,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,395.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C1CCCCC1,372.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C1CCOC1,394.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC#N,392.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)=O,392.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CCO,394.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CN(C)C=O,395.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CO,391.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CS(C)=O,397.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],ClC(Cl)Cl,393.0
7269,CN(C)CCN(Cc1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],ClCCl,394.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,CC(C)=O,488.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,CCCCCC,478.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,CCO,486.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,CCOC(C)=O,486.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,CO,482.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,CS(C)=O,497.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,Cc1ccccc1,492.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,ClCCl,498.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,C1COCCO1,488.0
14111,O=Cc1cc(N2CCCCC2)c2ccc3c(C=O)cc(N4CCCCC4)c4ccc1c2c34,CC#N,490.0
2295,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,ClCCl,465.0
14157,O=Cc1ccc2nc(C#Cc3ccc(N(c4ccc(C#Cc5nc6ccc(C=O)cc6s5)cc4)c4ccc(C#Cc5nc6ccc(C=O)cc6s5)cc4)cc3)sc2c1,Cc1ccccc1,421.0
168,C(#Cc1nc2ccccc2s1)c1ccc(N(c2ccc(C#Cc3nc4ccccc4s3)cc2)c2ccc(C#Cc3nc4ccccc4s3)cc2)cc1,Cc1ccccc1,404.0
12867,N#CC(C#N)=Cc1ccc2nc(C#Cc3ccc(N(c4ccc(C#Cc5nc6ccc(C=C(C#N)C#N)cc6s5)cc4)c4ccc(C#Cc5nc6ccc(C=C(C#N)C#N)cc6s5)cc4)cc3)sc2c1,Cc1ccccc1,440.0
11400,Cc1ccc(S(=O)(=O)Nc2c(/C=C/c3ccccc3)sc(-c3ccc(N(C)C)s3)c2-c2cccnc2)cc1,CC#N,395.0
6067,CCN(CC)c1ccc2c(-c3ccccc3C(=O)N(C)CCS(=O)(=O)[O-])c3c([o+]c2c1)/C(=C/C=C/C=C1/N(CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C)CCC3,CCO,823.0
6069,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/C=C/C=C1\N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)CCC3,CCO,800.0
12920,N#Cc1c(-c2ccc3c(c2)Cc2ccccc2-3)c(N)n2ccccc12,CN(C)C=O,398.0
15442,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc3ccc(-c4ccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)oc5c4)cc3o2)cc1,Cc1ccccc1,365.0
15442,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc3ccc(-c4ccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)oc5c4)cc3o2)cc1,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,376.0
1558,CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCCC(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCCC(=O)O)c2ccccc21,CO,782.0
1560,CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CO,778.0
2263,CCC(C)[Si](C#Cc1c2cc3cc4c(cc3cc2c(C#C[Si](C(C)CC)(C(C)CC)C(C)CC)c2cc3cc5cc6c(cc5cc3cc12)OC(CC(C)C)(CC(C)C)O6)OC(CC(C)C)(CC(C)C)O4)(C(C)CC)C(C)CC,CCCCCC,719.3773484
8340,COC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2nc3ccccc3s2)n1,ClC(Cl)Cl,380.59
398,C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/c1cccc(Oc2ccccc2)c1,C1CCOC1,440.0
1358,CC(C)CCOc1cc(/C=C/c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c(OCCC(C)C)cc1C=C(C#N)C(=O)O,C1CCOC1,457.0
14000,O=C1OC(=O)c2ccc3c4ccc(N5CCCCC5)c5cccc(c6ccc1c2c63)c54,ClC(Cl)Cl,489.0
1432,CC(C)[Si](C#Cc1c2nsnc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(nc12)C1c2ccccc2C3c2ccccc21)(C(C)C)C(C)C,CCCCCC,511.0
13747,O=C(O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1CCCCC1,376.0
13747,O=C(O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1CCOC1,366.0
13747,O=C(O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1COCCO1,377.0
13747,O=C(O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CC#N,382.0
13747,O=C(O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CCCCCCC,375.0
13747,O=C(O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CO,389.0
13747,O=C(O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,O,383.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,C1CCCCC1,365.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,C1CCOC1,374.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,C1COCCO1,372.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,CC#N,367.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,CC(C)O,370.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,CCOC(C)=O,371.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,CCOCC,363.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,CO,372.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,Cc1ccccc1,368.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,ClC(Cl)Cl,363.0
14355,O=[N+]([O-])c1ccc(F)cc1C1CC(c2cccc3ccccc23)=NN1c1ccccc1,O,375.0
6796,CCOC(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccc(C#N)cc2)cc1,ClCCl,376.0
6797,CCOC(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccc(C)cc2)cc1,ClCCl,385.0
6798,CCOC(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccc(Cl)cc2)cc1,ClCCl,378.0
6799,CCOC(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccc(F)cc2)cc1,ClCCl,375.0
6800,CCOC(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccc(OC)cc2)cc1,ClCCl,383.0
9054,COc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC)cc4)ccc2n3-c2ccc(C(=O)c3ccc4sc5ccccc5c4c3)nc2)cc1,Cc1ccccc1,390.0
8323,COC(=O)c1cc(OCCCCCCn2c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2/C=C(\C#N)C(=O)O)cc(OCCCCCCn2c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2/C=C(\C#N)C(=O)O)c1,ClCCl,504.0
14604,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)cc2c3c1CCCN3CCC2,C1CCOC1,367.0
14604,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)cc2c3c1CCCN3CCC2,CC#N,371.0
14604,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)cc2c3c1CCCN3CCC2,CCCCCC,376.0
14604,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)cc2c3c1CCCN3CCC2,CO,366.0
14604,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)cc2c3c1CCCN3CCC2,CS(C)=O,373.0
14604,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)cc2c3c1CCCN3CCC2,Cc1ccccc1,381.0
14604,Oc1c(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)cc2c3c1CCCN3CCC2,ClCCl,371.0
14775,[NH2+]=c1ccc2c(-c3ccc4c(c3)OCO4)c3c(cc4n3CCCCCC=C4)oc-2c1,O,535.0
15266,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1,ClCCl,372.0
6078,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1nc(-c2ccccc2)n2ccccc12)CCC3,ClCCl,703.0
10622,Cc1cc(=O)oc2cc3c(cc12)C(C)CC(C)(C)N3CCCC(=O)O,O,390.0
6773,CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)O)C(C)(C)CC3C,O,436.0
8016,CN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3cc21,C1CCCCC1,382.0
8016,CN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3cc21,CC#N,405.0
8016,CN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3cc21,CCO,408.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC#N,337.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC(C)=O,341.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCC,337.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC#N,342.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC(C)=O,347.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCC,341.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCCCO,357.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCO,357.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCO,354.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCO,347.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CN(C)C=O,355.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CO,326.0
7070,CCc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CS(C)=O,350.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCO,347.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCO,346.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCO,345.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CN(C)C=O,351.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CO,345.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CS(C)=O,348.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC#N,333.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC(C)=O,342.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCC,337.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCCCO,340.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCO,341.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCO,340.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CN(C)C=O,345.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CO,337.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CS(C)=O,342.0
11973,FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCO,342.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC#N,334.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC(C)=O,337.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCC,334.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCCCO,344.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCO,343.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCO,341.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCO,341.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CN(C)C=O,338.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CO,335.0
7436,CN(C)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CS(C)=O,340.0
9283,COc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCCCO,346.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,C1CCCCC1,315.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,C1CCOC1,320.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,C1COCCO1,319.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,CC#N,322.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,CC(C)O,323.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,CCCCCC,316.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,CCCCCCC,316.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,CCCCCCCCO,323.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,CCCCO,323.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,CCO,323.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,CO,323.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,ClC(Cl)Cl,321.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,ClCCl,321.0
14014,O=C1OCC2=C1C(c1ccccc1)c1cc3c(cc1N2CCO)CCC3,O,327.0
14493,O=c1c2ccccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,C1CCOC1,388.0
14493,O=c1c2ccccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,CCCCCC,388.0
14493,O=c1c2ccccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,Cc1ccccc1,388.0
14493,O=c1c2ccccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,ClC(Cl)Cl,388.0
14493,O=c1c2ccccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,ClCCl,388.0
3750,CCCCCCCCc1ccc(-c2nc3c4cc(-c5ccc(/C=C(/C#N)C(=O)O)cc5)sc4c4sc(-c5cc(CCCCCCCC)c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)cc4c3nc2-c2ccc(CCCCCCCC)s2)s1,ClCCl,400.0
3751,CCCCCCCCc1ccc(-c2nc3c4cc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)sc4c4sc(-c5cc(CCCCCCCC)c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)cc4c3nc2-c2ccc(CCCCCCCC)s2)s1,ClCCl,400.0
3496,CCCCCCCCOc1ccc(-c2c(-c3c(-c4ccc(OCCCCCCCC)cc4)n(CCCCCCCC)c4cc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)s5)ccc34)c3cc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)ccc3n2CCCCCCCC)cc1,C1CCOC1,484.0
8076,CNCCCN1c2ccccc2CCc2ccccc21,CC#N,276.0
8076,CNCCCN1c2ccccc2CCc2ccccc21,CO,276.0
8076,CNCCCN1c2ccccc2CCc2ccccc21,O,275.0
7262,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CC#N,280.0
6448,CCN1c2ccccc2CCc2cc(/C=C(\C#N)C(=O)O)ccc21,CC#N,368.0
7262,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CO,276.0
7262,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,O,279.0
7263,CN(C)CCCN1c2ccccc2CCc2ccccc21,CC#N,276.0
7263,CN(C)CCCN1c2ccccc2CCc2ccccc21,CO,274.0
7263,CN(C)CCCN1c2ccccc2CCc2ccccc21,O,275.0
15395,c1ccc2c(c1)CCc1ccccc1N2,CCCCCC,285.0
15395,c1ccc2c(c1)CCc1ccccc1N2,CO,290.0
8048,CN1c2ccccc2CCc2ccccc21,CC#N,279.0
8048,CN1c2ccccc2CCc2ccccc21,CO,278.0
1347,CC(C)CCCN1c2ccccc2CCc2ccccc21,CC#N,276.0
1347,CC(C)CCCN1c2ccccc2CCc2ccccc21,CO,276.0
15395,c1ccc2c(c1)CCc1ccccc1N2,CC#N,290.0
4445,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5c(s4)/C(=C(\C#N)C(=O)O)c4ccccc4-5)s3)cc2)cc1,C1CCOC1,536.0
1012,CC(C)(C)c1ccc(-c2cc3c(-c4ccc(C(C)(C)C)cc4)c4cccc5c(-c6ccc(C(C)(C)C)cc6)cc6c(-c7ccc(C(C)(C)C)cc7)c7cccc2c7c3c6c54)cc1,ClCCl,456.0
1003,CC(C)(C)c1ccc(-c2c3cccc4c(-c5ccccc5)cc5c(-c6ccc(C(C)(C)C)cc6)c6cccc7c(-c8ccccc8)cc2c(c76)c5c43)cc1,ClCCl,454.0
14957,c1ccc(-c2cc3c(-c4ccccc4)c4cccc5c(-c6ccccc6)cc6c(-c7ccccc7)c7cccc2c7c3c6c54)cc1,ClCCl,454.0
11574,Cc1ccccc1-c1c2cccc3c(-c4ccc(C(C)(C)C)cc4)cc4c(-c5ccccc5C)c5cccc6c(-c7ccc(C(C)(C)C)cc7)cc1c(c65)c4c32,ClCCl,447.0
5760,CCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc(-c9sc(/C=C(\C#N)C(=O)O)c%10c9OCCO%10)ccc7n8CCCC)ccc5n6CCCC)ccc3n4CCCC)ccc21,C1CCOC1,456.0
5542,CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C(=O)O)cc4)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(-c2cc3c(s2)-c2ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc2C3(c2ccc(C)cc2)c2ccc(C)cc2)s1,ClC(Cl)Cl,625.0
2571,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4cc5c(s4)-c4ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc4C5(c4ccc(C)cc4)c4ccc(C)cc4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(C(=O)O)cc2)s1,ClC(Cl)Cl,625.0
2027,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(F)cc4)c4ccc(=[NH2+])cc-4oc3c21,O,540.0
8613,COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3oc3c4c(ccc23)NC(C)(C)C=C4C)cc1C,O,535.0
10036,CSc1ccc(-c2c3ccc(=[NH2+])cc-3oc3c4c(ccc23)NC(C)(C)C=C4C)cc1,O,535.0
9874,COc1cccc(-c2c3ccc(=[NH2+])cc-3oc3c4c(ccc23)NC(C)(C)C=C4C)c1,O,540.0
2037,CC1=CC(C)(C)Nc2ccc3c(-c4cccc(Cl)c4)c4ccc(=[NH2+])cc-4oc3c21,O,540.0
2039,CC1=CC(C)(C)Nc2ccc3c(-c4cccc(F)c4)c4ccc(=[NH2+])cc-4oc3c21,O,540.0
2041,CC1=CC(C)(C)Nc2ccc3c(-c4ccccc4)c4ccc(=[NH2+])cc-4oc3c21,O,535.0
2012,CC1=CC(C)(C)Nc2ccc3c(-c4cc(C)cc(C)c4)c4ccc(=[NH2+])cc-4oc3c21,O,535.0
2018,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(C)cc4)c4ccc(=[NH2+])cc-4oc3c21,O,535.0
8937,COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3c4c(ccc23)NC(C)(C)C=C4C)cc1,O,535.0
2024,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(F)c(C)c4)c4ccc(=[NH2+])cc-4oc3c21,O,530.0
624,CC(=O)OCCN1C(=O)c2cccc3c(Oc4ccc(C#N)cc4)ccc(c23)C1=O,ClC(Cl)Cl,351.0
625,CC(=O)OCCN1C(=O)c2cccc3c(Oc4ccc(C=O)cc4)ccc(c23)C1=O,ClC(Cl)Cl,353.0
626,CC(=O)OCCN1C(=O)c2cccc3c(Oc4ccccc4C)ccc(c23)C1=O,ClC(Cl)Cl,352.0
4003,CCCCCCN1C(=O)c2cccc3c(Oc4ccc([N+](=O)[O-])cc4)ccc(c23)C1=O,CN(C)C=O,354.0
4002,CCCCCCN1C(=O)c2cccc3c(Oc4ccc(C=O)cc4)ccc(c23)C1=O,CN(C)C=O,356.0
4004,CCCCCCN1C(=O)c2cccc3c(Oc4cccc(Br)c4)ccc(c23)C1=O,CN(C)C=O,356.0
4005,CCCCCCN1C(=O)c2cccc3c(Oc4ccccc4)ccc(c23)C1=O,CN(C)C=O,357.0
13170,N#Cc1ccc(Oc2ccc3c4c(cccc24)C(=O)N(CCO)C3=O)cc1,ClC(Cl)Cl,352.0
14151,O=Cc1ccc(Oc2ccc3c4c(cccc24)C(=O)N(CCO)C3=O)cc1,ClC(Cl)Cl,355.0
11613,Cc1ccccc1Oc1ccc2c3c(cccc13)C(=O)N(CCO)C2=O,ClC(Cl)Cl,355.0
14155,O=Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C=O)ccc43)cc2)cc1,ClCCl,329.0
15153,c1ccc(-n2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccccc45)c3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,396.0
10927,Cc1ccc(-c2c3nc(c(-c4ccco4)c4ccc([nH]4)c(-c4ccco4)c4nc(c(-c5ccco5)c5ccc2s5)C=C4)C=C3)cc1,ClCCl,442.0
10972,Cc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2-c2ccc(C)cc2)cc1,CO,284.0
10974,Cc1ccc(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2ccc(C)cc2)cc1,CO,346.0
10975,Cc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(C)cc2)cc1,CO,295.0
10976,Cc1ccc(-c2nc(-c3cccc(C#N)c3)[nH]c2-c2ccc(C)cc2)cc1,CO,315.0
10977,Cc1ccc(-c2nc(-c3cccc(O)c3)[nH]c2-c2ccc(C)cc2)cc1,CO,300.0
10978,Cc1ccc(-c2nc(-c3ccccc3O)[nH]c2-c2ccc(C)cc2)cc1,CO,320.0
9956,COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,CO,307.0
12722,N#CC(=Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1)C(=O)O,CCO,368.0
14676,Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,CO,300.0
9886,COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,CO,300.0
15046,c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CC#N,311.8333333333333
15046,c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CO,311.5
13096,N#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CO,339.0
14688,Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,CO,316.0
13186,N#Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,CO,308.0
9108,COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2-c2ccc(OC)cc2)cc1,CO,260.0
14624,Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CO,295.0
9111,COc1ccc(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2ccc(OC)cc2)cc1,CO,354.0
9112,COc1ccc(-c2nc(-c3ccc(C(=O)O)cc3)[nH]c2-c2ccc(OC)cc2)cc1,CO,322.0
9114,COc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1,CO,295.0
9118,COc1ccc(-c2nc(-c3cccc(C#N)c3)[nH]c2-c2ccc(OC)cc2)cc1,CO,327.0
9119,COc1ccc(-c2nc(-c3cccc(OC)c3)[nH]c2-c2ccc(OC)cc2)cc1,CO,300.0
9120,COc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1,CO,301.0
9121,COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CO,305.0
13706,O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CO,312.0
9125,COc1ccc(-c2nc(-c3ccccc3OC)[nH]c2-c2ccc(OC)cc2)cc1,CO,299.0
6609,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,CC#N,328.0
6609,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,CCOC(C)=O,328.0
6609,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,CN(C)C=O,334.0
6609,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,CS(C)=O,338.0
6609,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,c1ccccc1,328.0
3948,CCCCCCN1B2c3c(cccc3-c3cc(-c4cccs4)ccc3N2CCCCCC)-c2cc(-c3cccs3)ccc21,ClCCl,346.0
4008,CCCCCCN1C(=O)c2cccc3cc(/N=C\c4ccc(N5CCOCC5)cc4)cc(c23)C1=O,ClC(Cl)Cl,322.0
10704,Cc1cc(C)c(B(c2ccsc2-c2sccc2P(=O)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,CO,350.0
4875,CCCCCCc1cc(B(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(-c2sc(CCCCCC)cc2P(=O)(c2ccccc2)c2ccccc2)s1,CO,418.0
362,C(\c1ccccc1)=c1\o/c(=C\c2ccc(N3CCOCC3)cc2)c2ccccc12,ClCCl,390.0
6731,CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,C1CCOC1,367.0
6731,CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,C1COCCO1,365.0
6731,CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,CCCCCC,365.0
6731,CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,CO,364.0
6731,CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,CS(C)=O,368.0
6731,CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,Cc1ccccc1,370.0
6731,CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,ClC(Cl)Cl,370.0
6731,CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,ClCCl,367.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,Brc1ccccc1,437.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,C1CCCCC1,436.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,C1CCOC1,418.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,C1COCCO1,420.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCCCCC,430.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCCCCCCCO,423.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCCCOCCCC,414.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCOC(C)=O,414.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCOCC,422.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,Cc1ccccc1,429.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,ClC(Cl)(Cl)Cl,436.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,ClC(Cl)Cl,436.0
3094,CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,ClCCl,429.0
5598,CCCCc1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,CN(C)C=O,369.0
4698,CCCCCCc1c(C=C2C=C(C(C)(C)C)OC(C(C)(C)C)=C2)sc(C=C(C#N)C(=O)O)c1CCCCCC,ClC(Cl)Cl,544.0
770,CC(C)(C)C1=CC(=Cc2ccc(C=C(C#N)C(=O)O)s2)C=C(C(C)(C)C)O1,ClC(Cl)Cl,553.0
7632,CN(C)c1ccc2c(-c3cc4ccccc4c4ccccc34)c3ccc(=[NH2+])cc-3oc2c1,O,545.0
13343,Nc1ccc2c(-c3cc4ccccc4c4ccccc34)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
3304,CCCCCCCCCC[C@@]1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3/N(C)c4ccc(C(=O)O)cc4C3(C)C)=C2[O-])=[N+](C)c2cc3c(cc21)-c1ccccc1C3(CCCCCCCC)CCCCCCCC,ClCCl,665.0
3305,CCCCCCCCCC[C@@]1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3/N(C)c4ccc(C(=O)O)cc4C3(C)C)=C2[O-])=[N+](CCCCCC)c2cc3c(cc21)-c1ccccc1C3(CCCCCCCC)CCCCCCCC,ClCCl,666.0
3308,CCCCCCCCCC[C@]1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3/N(C)c4ccc(C(=O)O)cc4C3(C)C)=C2[O-])=[N+](C)c2cc3c(cc21)-c1ccccc1C3(CCCCCCCC)CCCCCCCC,ClCCl,665.0
3309,CCCCCCCCCC[C@]1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3/N(C)c4ccc(C(=O)O)cc4C3(C)C)=C2[O-])=[N+](CCCCCC)c2cc3c(cc21)-c1ccccc1C3(CCCCCCCC)CCCCCCCC,ClCCl,666.0
634,CC(=O)OC[C@@H]1O[C@H](n2cnc3c2N=CN2Cc4c[n+](C)c(C)nc4N=C32)[C@@H](O)[C@H]1O,CC#N,392.0
634,CC(=O)OC[C@@H]1O[C@H](n2cnc3c2N=CN2Cc4c[n+](C)c(C)nc4N=C32)[C@@H](O)[C@H]1O,CCO,389.0
634,CC(=O)OC[C@@H]1O[C@H](n2cnc3c2N=CN2Cc4c[n+](C)c(C)nc4N=C32)[C@@H](O)[C@H]1O,O,383.0
14190,O=P1(c2ccccc2)C(c2cccs2)=Cc2ccccc21,C1CCOC1,368.0
4673,CCCCCC[N+]1=C(C=C2C(=O)C(c3ccc(N(c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)cc3)=C2[O-])c2ccc(C(=O)O)c3cccc1c23,CN(C)C=O,763.0
4673,CCCCCC[N+]1=C(C=C2C(=O)C(c3ccc(N(c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)cc3)=C2[O-])c2ccc(C(=O)O)c3cccc1c23,ClC(Cl)Cl,763.0
4246,CCCCCCOc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6ccc(C7=C8C(=O)N(CC(CC)CCCC)C(c9ccc(-c%10ccc(C(=O)O)cc%10)cc9)=C8C(=O)N7CC(CC)CCCC)s6)cc5C5CCCC54)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,583.0
4247,CCCCCCOc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6ccc(C7=C8C(=O)N(CC(CC)CCCC)C(c9ccc(-c%10ccc(C=C(C#N)C(=O)O)cc%10)cc9)=C8C(=O)N7CC(CC)CCCC)s6)cc5C5CCCC54)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,590.0
13569,O=C(O)CCCCCn1/c(=C/C=C/C2=[N+](CCCCCC(=O)O)c3cccc4cccc2c34)c2cccc3cccc1c32,CO,760.0
5741,CCCCn1c2ccc(C#N)cc2c2cc(C#N)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21,ClCCl,352.0
3808,CCCCCCCCn1c2cc(C=C(C#N)C(=O)O)sc2c2sc(-c3ccc(-c4ccc5c(c4)c4c(n5CCCCCC)-c5ccccc5C45c4ccccc4-c4ccccc45)c4nsnc34)cc21,ClCCl,545.0
3555,CCCCCCCCOc1ccc(N(c2ccc(-c3cc4c(s3)-c3cc5c(cc3C4(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)-c3sc(-c4c(F)c(F)c(-c6ccc(C(=O)O)cc6)c6nsnc46)cc3C5(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)cc2)c2ccc(OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)c1,Cc1ccccc1,503.0
3557,CCCCCCCCOc1ccc(N(c2ccc(-c3cc4c(s3)-c3cc5c(cc3C4(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)-c3sc(-c4ccc(-c6ccc(C(=O)O)cc6)c6nsnc46)cc3C5(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)cc2)c2ccc(OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)c1,Cc1ccccc1,519.0
4065,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3cc4c(s3)c3sccc3n4CCCCCC)ccc21,ClCCl,488.0
13555,O=C(O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1,CO,625.0
5164,CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1,CO,625.0
10600,Cc1cc(/C=C/c2ncc[nH]2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,567.0
10601,Cc1cc(/C=C/c2nccn2C)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,569.0
14512,O=c1ccc(-c2cccc(Cl)c2)nn1-c1ccnc2ccccc12,CS(C)=O,304.0
15454,c1ccc2c(c1)cc1c3cc4ccccc4c4cccc(c5cccc2c51)c43,Cc1ccccc1,430.0
14728,S=P1(c2ccccc2)C(c2ccccc2)=Cc2cc3ccccc3cc21,ClCCl,387.0
7221,CCn1c2ccccc2c2cc(N3C(=O)c4cccc5c(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)s7)s6)ccc(c45)C3=O)ccc21,ClCCl,443.0
14526,O=c1nc(-c2ccccc2)c2c(=O)nc(-c3ccccc3)c1=2,CCO,502.0
1248,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)nc2)cn1,Cc1ccccc1,355.6259905
13938,O=C1CCC(=O)N1,CC#N,191.0
4261,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c(c3)C(C)(C)c3sc(-c5ccc(C=C(C#N)C(=O)O)s5)cc3-4)cc2)c(OCCCCCC)c1,CCO,474.0
11274,Cc1ccc(N(c2ccccc2)c2ccc(C=NN(c3ccccc3)c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)cc2)cc1,ClC(Cl)Cl,488.0
4954,CCCCCCc1ccc(N(c2ccc(C=NN(c3ccccc3)c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)cc2)c2ccc(CCCCCC)cc2)cc1,ClC(Cl)Cl,498.0
13643,O=C(O)CN1C(=O)C(=Cc2ccc(N(N=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc3)cc2)SC1=S,ClC(Cl)Cl,488.0
11250,Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=N/N(c3ccccc3)c3ccc(/C=C4\SC(=S)N(CC(=O)O)C4=O)cc3)cc2)cc1,ClC(Cl)Cl,495.0
9546,COc1ccc(N(c2ccc(C#Cc3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,515.0
5761,CCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7sc(/C=C(\C#N)C(=O)O)c8c7OCCO8)ccc5n6CCCC)ccc3n4CCCC)ccc21,C1CCOC1,444.0
11397,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2Nc2ccccc2)cc1,CC#N,425.0
7701,CN(C)c1ccc2c(c1)Oc1c(ccc3cc(O)ccc13)C21OC(=O)c2cc(C(=O)O)ccc21,O,549.0
4174,CCCCCCOc1c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc2c(OCCCCCC)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc12,C1CCOC1,500.0
5380,CCCCN1c2ccc(/C=C/c3cc(=O)oc4cc(C)ccc34)cc2Sc2cc(/C=C/c3cc(=O)oc4cc(C)ccc34)ccc21,ClC(Cl)Cl,441.0
1343,CC(C)CCCC(C)CCOc1cc(C#Cc2c3ccccc3c(C#Cc3ccc(C#Cc4cccc(C(=O)O)c4)cc3C#N)c3ccccc23)c(OCCC(C)CCCC(C)C)cc1C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,521.0
1341,CC(C)CCCC(C)CCOc1cc(C#Cc2c3ccccc3c(C#Cc3ccc(C#Cc4cccc(C(=O)O)c4)cc3)c3ccccc23)c(OCCC(C)CCCC(C)C)cc1C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,502.0
8786,COc1cc(OC)cc(-c2nnc(-c3ccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc3)o2)c1,C1CCCCC1,320.0
8786,COc1cc(OC)cc(-c2nnc(-c3ccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc3)o2)c1,C1CCOC1,320.0
8786,COc1cc(OC)cc(-c2nnc(-c3ccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc3)o2)c1,CC#N,317.0
8786,COc1cc(OC)cc(-c2nnc(-c3ccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc3)o2)c1,CCO,319.0
8786,COc1cc(OC)cc(-c2nnc(-c3ccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc3)o2)c1,CS(C)=O,317.0
8786,COc1cc(OC)cc(-c2nnc(-c3ccc(-c4nnc(-c5cc(OC)cc(OC)c5)o4)cc3)o2)c1,ClCCl,321.0
6006,CCN(CC)c1ccc(C(=C(c2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)c2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)c2ccc(N(CC)CC)cc2)cc1,C1CCOC1,431.0
5329,CCCCN1C(=O)C2=C(c3ccc(-c4ccccc4)cc3)NC(=O)C2=C1c1ccc(-c2ccccc2)cc1,ClCCl,485.0
13759,O=C(O)c1ccc2c(c1)nc1c3cccc4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc(c(=O)n21)c43,Cc1ccccc1,460.0
13759,O=C(O)c1ccc2c(c1)nc1c3cccc4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc(c(=O)n21)c43,C1CCOC1,460.0
4528,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c(=O)n5c6ccc(C(=O)O)cc6nc5c5cccc3c45)cc2)cc1,C1CCOC1,441.0
4528,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c(=O)n5c6ccc(C(=O)O)cc6nc5c5cccc3c45)cc2)cc1,Cc1ccccc1,443.0
3429,CCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Oc2cc(-c3ccc(OCCCC)cc3OCCCC)ccc21,ClCCl,506.0
3429,CCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Oc2cc(-c3ccc(OCCCC)cc3OCCCC)ccc21,CCO,480.0
8628,COc1c2ccccc2c(OC)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc4ccccc4cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,ClCCl,686.0
1402,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C)(C)C)c2cc3ccccc3cc12)(C(C)C)C(C)C,ClCCl,642.0
8626,COc1c2ccccc2c(OC)c2c(C#CC(C)(C)C)c3cc4ccccc4cc3c(C#CC(C)(C)C)c12,ClCCl,672.0
1394,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3ccccc3cc12)(C(C)C)C(C)C,ClCCl,643.0
153,C(#Cc1ccccc1)C(C#Cc1ccccc1)=c1c2ccccc2c(=C(C#Cc2ccccc2)C#Cc2ccccc2)c2ccccc12,ClC(Cl)Cl,540.0
15215,c1ccc(C2=C(c3ccccn3)[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,ClCCl,339.0
119,C(#Cc1cc2ccc3cc(C#Cc4ccccc4)cc4ccc(c1)c2c34)c1ccccc1,Cc1ccccc1,410.0
1079,CC(C)(C)c1ccc(C#Cc2cc3ccc4cc(C#Cc5ccc(C(C)(C)C)cc5)cc5ccc(c2)c3c45)cc1,ClCCl,410.0
7497,CN(C)c1ccc(C#Cc2cc3ccc4cc(C#Cc5ccc(N(C)C)cc5)cc5ccc(c2)c3c45)cc1,Cc1ccccc1,421.0
305,C(=C1c2ccccc2-c2ccccc21)c1ccc(-c2ccc(C=C3c4ccccc4-c4ccccc43)cc2)cc1,C1CCOC1,366.0
1916,CC1(C)c2ccccc2N(c2ccccc2)c2ccc(C(=O)c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccccc3)cc21,Cc1ccccc1,371.5719064
2499,CCCC1(CCC)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7ccc(C(C)(C)C)cc7)ccc5-6)ccc3-4)cc21,C1CCCCC1,362.0
2313,CCC1(CC)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc6c(c5)C(CC)(CC)c5cc(-c7ccc(C(C)(C)C)cc7)ccc5-6)ccc3-4)cc21,CO,360.5427975
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,CC#N,445.0
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,CC(C)=O,446.0
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,CO,444.0
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,Cc1ccccc1,453.0
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,ClC(Cl)Cl,452.0
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,ClCCl,450.0
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,C1CCCCC1,451.0
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,C1CCOC1,451.0
14181,O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n1c26)c3c45,C1COCCO1,448.0
2603,CCCCC(CC)CN1C(=O)c2ccc3c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc5c6c(cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(CC)CCCC)C5=O,ClC(Cl)Cl,551.0
3413,CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc5c6c(cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,567.0
4044,CCCCCCN1c2ccc(-c3ccc(OC)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,473.0
4055,CCCCCCN1c2ccc(-c3ccccc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,479.5
14186,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2ccccc21,C1CCOC1,408.0
14186,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2ccccc21,CC#N,407.0
14186,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2ccccc21,CN(C)C=O,410.0
14186,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2ccccc21,Cc1ccccc1,413.0
14186,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2ccccc21,ClC(Cl)Cl,418.0
14186,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2ccccc21,ClCCl,415.0
1350,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Oc5cc(/C=C/c6ccc(N(C)C)cc6)ccc5[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C,CO,400.0
1392,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(-c2ccc(C=C(C#N)C(=O)O)cc2)c2cc3ccccc3cc12)(C(C)C)C(C)C,C1CCOC1,622.0
8724,COc1cc(C2=CC(c3ccccc3)=C(c3ccccc3)C2)cc(OC)c1OC,ClCCl,360.0
8798,COc1cc(OC)cc(C2=CC(c3ccccc3)=C(c3ccccc3)C2)c1,ClCCl,355.0
11076,Cc1ccc(/N=C2/C3=c4[nH]c5ccccc5c4=[N+](c4ccc(C)cc4)[B-](F)(F)N3c3ccccc32)cc1,ClCCl,649.0
12900,N#CC1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,CCO,682.0
12900,N#CC1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,O,690.0
11396,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccccn2)cc1,CC#N,437.0
2370,CCC1(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2ccc(C=C(C#N)C(=O)O)cc2-1,C1CCOC1,383.0
2366,CCC1(CC)c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)C(CC)(CC)c2ccc(C=C(C#N)C(=O)O)cc2-1,C1CCOC1,388.0
2918,CCCCCCC1(CCCCCC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CCCCCC)(CCCCCC)c2ccc(C=C(C#N)C(=O)O)cc2-1,C1CCOC1,383.0
3539,CCCCCCCCOc1ccc(-c2nc3c(C4=CC=C(/C=C(/C#N)C(=O)O)C4)cnc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c3nc2-c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,563.0
11331,Cc1ccc(N2c3ccc(-c4ncc(C5=CC=C(/C=C(/C#N)C(=O)O)C5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3C3CCCC32)cc1,ClCCl,563.0
5242,CCCCN(CCCC)c1ccc(-c2c([O-])[c+](-c3ccc(N(C)CCOC(=O)CCC(=O)OCc4ccc5c(=C(C#N)C#N)c6ccccc6c(=C(C#N)C#N)c5c4)cc3)[c+]2[O-])cc1,ClC(Cl)Cl,632.0
15159,c1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nn5c4)ccc32)cc1,C1CCOC1,340.0
3394,CCCCCCCCN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6ccccc6-7)c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6ccccc6-7)cc5)c5c4OCCO5)s3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)s1,ClCCl,727.0
7954,CN1C(=CC2=C([O-])C(=CC3=[N+](C)c4ccccc4C3(C)C)C2=NC#N)C(C)(C)c2ccccc21,ClC(Cl)Cl,655.0
1607,CC1(C)C/C(=C(/C#N)C(=O)O)CC(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)C1,ClCCl,476.0
1609,CC1(C)C/C(=C(/C#N)C(=O)O)C[C@@H](/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)C1,ClCCl,476.0
13820,O=C(c1cc(F)c(F)cc1F)c1cc(F)c(N2CCCCC2)cc1F,CCO,350.0
12466,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(I)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)s1)C(=O)O,CN(C)C=O,409.0
12466,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(I)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)s1)C(=O)O,ClCCl,471.0
4824,CCCCCCc1cc(-c2sc(-c3sc(-c4ccc5c6ccccc6n(CC)c5c4)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,492.0
11806,Clc1nc(Nc2ccccc2)nc(Nc2ccc3cc4ccccc4cc3c2)n1,C1COCCO1,398.0
11806,Clc1nc(Nc2ccccc2)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CC#N,397.0
11806,Clc1nc(Nc2ccccc2)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CCCCOCCCC,398.0
11806,Clc1nc(Nc2ccccc2)nc(Nc2ccc3cc4ccccc4cc3c2)n1,CCOC(C)=O,396.0
5721,CCCCn1c2ccc(-c3ccc(OC)cc3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,459.0
15412,c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3cccnc3nc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1,Cc1ccccc1,438.0
1638,CC1(C)CC(/C=C/c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)=C/C(=C(/C#N)C(=O)O)C1,ClC(Cl)Cl,480.0
1639,CC1(C)CC(/C=C/c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)=C/C(=C(\C#N)C(=O)O)C1,ClC(Cl)Cl,480.0
12621,N#C/C(C(=O)O)=C1\C=C(/C=C/c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)CCC1,ClCCl,480.0
13479,O=C(CBr)c1ccc(OC(=O)c2c3ccccc3cc3ccccc23)cc1,CO,362.0
9981,COc1ccccc1C1=[N+]2C(=Cc3c4c(c(-c5ccccc5OC)n3[B-]2(F)F)C2CCC4CC2)C2=C1C1CCC2CC1,ClCCl,550.0
2839,CCCCCC1=C2C(C)=C(c3ccc4c5cc(OC)ccc5n(CCC)c4c3)C(C)=[N+]2[B-](F)(F)n2c(C)c(-c3ccc(/C=C(\C#N)C(=O)O)o3)c(C)c21,ClC(Cl)Cl,554.0
10866,Cc1cc2ccccc2c2c1c1ccccc1n2-c1ncccn1,ClCCl,303.0
12374,N#C/C(=C\c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2-c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1)C(=O)O,C1CCOC1,451.0
9180,COc1ccc(-c2pc3ccccc3s2)cc1,CC#N,347.0
13187,N#Cc1cccc(-c2pc3ccccc3s2)c1,CC#N,324.0
32,Brc1ccc(-c2pc3ccccc3s2)cc1,CC#N,337.0
13105,N#Cc1ccc(-c2pc3ccccc3s2)cc1,CC#N,340.0
11970,FC(F)(F)c1ccc(-c2pc3ccccc3s2)cc1,CC#N,331.0
15142,c1ccc(-c2pc3ccccc3s2)cc1,CC#N,330.0
10412,Cc1cc(-c2ccccc2)nc2c1ccc1nc(-c3ccccc3)cn12,ClCCl,348.0
10412,Cc1cc(-c2ccccc2)nc2c1ccc1nc(-c3ccccc3)cn12,c1ccccc1,351.0
10412,Cc1cc(-c2ccccc2)nc2c1ccc1nc(-c3ccccc3)cn12,CC#N,347.0
10412,Cc1cc(-c2ccccc2)nc2c1ccc1nc(-c3ccccc3)cn12,CCCCOC(C)=O,350.0
10412,Cc1cc(-c2ccccc2)nc2c1ccc1nc(-c3ccccc3)cn12,CCOC(C)=O,352.0
10412,Cc1cc(-c2ccccc2)nc2c1ccc1nc(-c3ccccc3)cn12,CO,345.0
10412,Cc1cc(-c2ccccc2)nc2c1ccc1nc(-c3ccccc3)cn12,ClC(Cl)Cl,350.0
15497,c1ccc2cc3c(cc2c1)cc1c2cccc4c5cc6ccccc6cc5cc(c5cccc3c51)c42,Cc1ccccc1,444.0
3165,CCCCCCCCCCCCOc1cc2c3c(ccc4c5c(NC6CCCCC6)cc6c7c(ccc(c1c34)c75)C(=O)N(C1CCCCC1)C6=O)C(=O)N(C1CCCCC1)C2=O,ClC(Cl)Cl,640.0
2088,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccsc3)n1[B-]2(F)F,CCCCCC,608.0
2088,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccsc3)n1[B-]2(F)F,CCCCCCCCO,612.0
2088,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccsc3)n1[B-]2(F)F,CCOC(C)=O,606.0
2088,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccsc3)n1[B-]2(F)F,CN(C)C=O,612.0
2088,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccsc3)n1[B-]2(F)F,ClCCl,612.0
10736,Cc1cc(C)c(C2=C3C=CC=[N+]3[B-]3(c4ccc5ccc6cccc7ccc4c5c67)Oc4cc(O)cc5c6ccc(C)cc6c6cc2n3c6c45)c(C)c1,ClC(Cl)Cl,647.0
2899,CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc(/C=C5\ON(CC(=O)O)C(=S)S5)s4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-1,ClC(Cl)Cl,480.0
10923,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc(s4)c(-c4ccco4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,436.0
9557,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c(C)c4n(c3C)[B-](F)(F)[N+]3=C(C)C(c5cc6sc(-c7cc[n+]([O-])cc7)cc6s5)=C(C)C3=C4C)cc2)cc1,ClC(Cl)Cl,535.0
12155,F[Si](c1ccccc1)(c1ccccc1)c1cc2ccccc2c2ccccc12,C1CCOC1,302.0
3451,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)ccc21,C1CCOC1,409.0
6890,CCOc1cc(C=C2c3ccccc3-c3ccccc32)c(OCC)cc1C=C1c2ccccc2C=Cc2ccccc21,C1CCOC1,395.0
5471,CCCCOc1cc(C=C2c3ccccc3-c3ccccc32)c(OCCCC)cc1C=C1c2ccccc2C=Cc2ccccc21,C1CCOC1,395.0
4205,CCCCCCOc1cc(C=C2c3ccccc3-c3ccccc32)c(OCCCCCC)cc1C=C1c2ccccc2C=Cc2ccccc21,C1CCOC1,397.0
459,C1=Cc2ccccc2C(=Cc2ccc(C=C3c4ccccc4-c4ccccc43)cc2)c2ccccc21,C1CCOC1,360.0
9212,COc1ccc(-n2nc(C#N)c(N3CCN(c4ccccn4)CC3)n2)cc1,CC#N,321.0
10909,Cc1ccc(-c2c3nc(c(-c4ccc(C(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2s5)C=C4)C=C3)cc1,C1CCOC1,428.0
8643,COc1cc(-c2c3nc(c(-c4ccc(C(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(c(-c5cc(OC)c(OC)c(OC)c5)c5ccc2s5)C=C4)C=C3)cc(OC)c1OC,C1CCOC1,431.0
10920,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc(s4)c(-c4ccc(C(=O)O)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,C1CCOC1,428.0
10921,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc(s4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,428.0
290,C(=C/c1nc2ccccc2s1)\c1ccc(Cn2cc(-c3ccc(N(c4ccc(-c5cn(Cc6ccc(/C=C/c7nc8ccccc8s7)cc6)nn5)cc4)c4ccc(-c5cn(Cc6ccc(/C=C/c7nc8ccccc8s7)cc6)nn5)cc4)cc3)nn2)cc1,CN(C)C=O,345.0
5207,CCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(/C=C(\C#N)c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,CN(C)C=O,397.0
5208,CCCCCn1c2ccc(/C=C/C(=O)O)cc2c2cc(/C=C(\C#N)c3ccc(/C=C/C(=O)O)s3)ccc21,CN(C)C=O,392.0
5115,CCCCCCn1c2ccccc2c2cc(/C=C(/C#N)c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClC(Cl)Cl,488.0
6408,CCN1CCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3)CCC[N+]=2CC,CCO,629.0
2690,CCCCC(CC)Cc1cc(C)sc1-c1nc2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)cc3c2nc1-c1sc(C)cc1CC(CC)CCCC,C1CCOC1,418.0
2856,CCCCCCC(CCCC)COc1ccc(N(c2ccc(OCC(CCCC)CCCCCC)cc2)c2ccc3c4ccc(C#Cc5ccc(C=C(C#N)C(=O)O)s5)c5cccc(c6cccc2c63)c54)cc1,C1CCOC1,545.0
2854,CCCCCCC(CCCC)COc1ccc(N(c2ccc(OCC(CCCC)CCCCCC)cc2)c2ccc3c4ccc(C#Cc5ccc(C(=O)O)s5)c5cccc(c6cccc2c63)c54)cc1,C1CCOC1,525.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CC(C)OC(C)C,425.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CCC(C)(C)O,439.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CCCCCC,404.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CCCCCCCCO,446.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CCCCO,446.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CCCCOCCCC,428.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CCN(CC)CC,427.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CCO,445.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CCOC(C)=O,429.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CN(C)C=O,440.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CO,445.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CS(C)=O,445.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,Cc1ccccc1,435.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,ClC(Cl)(Cl)Cl,436.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,ClC(Cl)Cl,443.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,ClCCl,440.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,O,447.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,Brc1ccccc1,443.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,C1CCOC1,433.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,C1COCCO1,430.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CC#N,433.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CC(C)=O,432.0
6207,CCN(CC)c1ccc2cc(-c3oc4ccccc4c(=O)c3OC)oc2c1,CC(C)O,443.0
4979,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)sc1-c1ccc(C=C(C#N)C(=O)O)o1,ClCCl,475.0
5527,CCCCSC1=C(SCCCC)SC(=Cc2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)S1,C1CCOC1,461.0
3949,CCCCCCN1B2c3c(cccc3-c3cc4c(cc3N2CCCCCC)-c2cccc3c2B(N(CCCCCC)c2ccccc2-3)N4CCCCCC)-c2ccccc21,ClCCl,435.0
10842,Cc1cc2c(o1)=CC1=Cc3c(C)cc(C)n3[B-](F)(F)[N+]=21,ClC(Cl)Cl,542.0
3661,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(-c2ccc(C(=O)O)cc2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,453.0
11276,Cc1ccc(N/C=C/C=[NH+]c2ccc(C)cc2)cc1,CS(C)=O,376.0
42,Brc1ccc(N/C=C/C=[NH+]c2ccc(Br)cc2)cc1,CS(C)=O,386.0
14357,O=[N+]([O-])c1ccc(N/C=C/C=[NH+]c2ccc([N+](=O)[O-])cc2)cc1,CS(C)=O,388.0
176,C(/C=C/Nc1ccccc1)=[NH+]c1ccccc1,CS(C)=O,381.0
6166,CCN(CC)c1ccc2c(c1)oc(=O)c1cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc12,ClCCl,359.0
2030,CC1=CC(C)(C)Nc2ccc3c(-c4ccc5c(c4)OCO5)c4ccc(=[NH2+])cc-4n(C)c3c21,O,505.0
15158,c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1,Cc1ccccc1,363.0
14325,O=[N+]([O-])c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1,Cc1ccccc1,418.0
13110,N#Cc1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1,Cc1ccccc1,359.0
14458,O=c1c2cc(F)c(N3CCOCC3)cc2sc2cc(N3CCOCC3)c(F)cc12,CCO,361.0
9633,COc1ccc(N2c3sc4ccccc4c3Sc3c2sc2ccccc32)cc1,ClCCl,425.0
7622,CN(C)c1ccc(N2c3sc4ccccc4c3Sc3c2sc2ccccc32)cc1,ClCCl,430.0
13204,N#Cc1ccccc1N1c2sc3ccccc3c2Sc2c1sc1ccccc21,ClCCl,411.0
11796,Clc1ccccc1N1c2sc3ccccc3c2Sc2c1sc1ccccc21,ClCCl,421.0
11778,Clc1ccc(N2c3sc4ccccc4c3Sc3c2sc2ccccc32)cc1,ClCCl,418.0
3113,CCCCCCCCCCCCN(c1ccc(-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)s2)cc1)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClCCl,472.0
9771,COc1ccc2c3c(c4ccc(OC)cc4c2c1)C(C)(C)c1sccc1-3,C1CCCCC1,391.0
5468,CCCCOc1cc(/C=C/c2cc(OC)c(N3CCCC3)cc2OC)c(OCCCC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,ClCCl,429.0
5468,CCCCOc1cc(/C=C/c2cc(OC)c(N3CCCC3)cc2OC)c(OCCCC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,C1CCOC1,418.0
8754,COc1cc(N2CCCC2)c(OC)cc1/C=C/c1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1,CC#N,403.0
5468,CCCCOc1cc(/C=C/c2cc(OC)c(N3CCCC3)cc2OC)c(OCCCC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,CC#N,417.0
5468,CCCCOc1cc(/C=C/c2cc(OC)c(N3CCCC3)cc2OC)c(OCCCC)cc1/C=C/c1ccnc(-c2cc(C)ccn2)c1,Cc1ccccc1,420.0
8754,COc1cc(N2CCCC2)c(OC)cc1/C=C/c1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1,ClCCl,408.0
1186,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4n2c13,C1CCOC1,461.0
4815,CCCCCCc1cc(-c2sc(-c3ccc4c5cc(C(C)(C)C)cc6c7cc(C(C)(C)C)ccc7n(c4c3)c65)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,C1CCOC1,464.0
5799,CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)Sc2ccccc21,CO,645.0
5799,CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)Sc2ccccc21,CS(C)=O,654.0
5799,CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)Sc2ccccc21,O,642.0
7923,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2cc(F)cc(F)c2)Sc2ccccc21,O,638.0
7923,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2cc(F)cc(F)c2)Sc2ccccc21,CCO,644.0
7923,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2cc(F)cc(F)c2)Sc2ccccc21,CO,641.0
7923,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2cc(F)cc(F)c2)Sc2ccccc21,CS(C)=O,651.0
7924,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccc(C(F)(F)F)cc2)Sc2ccccc21,CCO,646.0
7924,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccc(C(F)(F)F)cc2)Sc2ccccc21,CO,643.0
7924,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccc(C(F)(F)F)cc2)Sc2ccccc21,CS(C)=O,652.0
7924,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccc(C(F)(F)F)cc2)Sc2ccccc21,O,639.0
7925,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccc(F)cc2)Sc2ccccc21,CCO,648.0
7925,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccc(F)cc2)Sc2ccccc21,CO,646.0
7925,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccc(F)cc2)Sc2ccccc21,CS(C)=O,656.0
7925,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccc(F)cc2)Sc2ccccc21,O,641.0
7926,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2cccc(C(F)(F)F)c2)Sc2ccccc21,CCO,645.0
7926,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2cccc(C(F)(F)F)c2)Sc2ccccc21,CO,642.0
7926,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2cccc(C(F)(F)F)c2)Sc2ccccc21,CS(C)=O,653.0
7926,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2cccc(C(F)(F)F)c2)Sc2ccccc21,O,639.0
7927,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccccc2)Sc2ccccc21,CCO,651.0
7927,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccccc2)Sc2ccccc21,CO,647.0
7927,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccccc2)Sc2ccccc21,CS(C)=O,645.0
7927,CN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2C)c2ccccc2)Sc2ccccc21,O,641.0
13514,O=C(O)/C(=C/c1ccc(N(c2ccccc2)c2ccc(/C=C(/C(=O)O)c3nnn[nH]3)cc2)cc1)c1nnn[nH]1,ClCCl,390.0
6534,CCOC(=O)C(=Cc1ccc(N(c2ccccc2)c2ccc(C=C(C(=O)OCC)c3nnn[nH]3)cc2)cc1)c1nnn[nH]1,ClCCl,445.0
15293,c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1,CC#N,333.0
15293,c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1,CO,334.0
15293,c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,333.0
15293,c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1,O,332.0
10212,C[Si]1(C)C(c2ccccc2)=Cc2ccccc21,ClCCl,333.0
15093,c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)n2)cc1,C1CCOC1,321.2349398
7529,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C=C(C#N)C(=O)O)cc5)cc4)s3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,432.0
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCC,361.5498921
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCO,367.7498124
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCO,367.100457
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCO,366.3003663
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOC(C)=O,360.5006633
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CN(C)C=O,363.0001234
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CO,365.0501031
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,COCCOC,362.5500319
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CS(C)=O,364.000364
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,ClC(Cl)Cl,369.2503111
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,ClCCl,366.1756252
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,N#Cc1ccccc1,368.2997076
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,NC=O,367.4498247
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,O,367.0007597
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,OCC(F)(F)F,366.1005532
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCCCC1,361.7002807
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCOC1,362.8499688
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,C1COCCO1,363.1002956
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC#N,360.4993637
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)=O,360.4499858
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)O,365.4503262
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(O)CO,368.3499029
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1CCCCC1,361.3500036
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1COC(=O)O1,361.4505734
8152,COC(=O)C(Cc1ccc2oc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCC,359.8002389
4901,CCCCCCc1cc2sc(-c3ccc4c(c3)c3cc(-c5cc6sc(CCCCCC)cc6s5)ccc3n4-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(/C=C(\C#N)c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)cc2s1,ClCCl,474.4
461,C1=Cc2ccccc2Cc2ccccc21,CC#N,285.0
461,C1=Cc2ccccc2Cc2ccccc21,CO,285.0
8075,CNCCCC1c2ccccc2C=Cc2ccccc21,CC#N,293.0
8075,CNCCCC1c2ccccc2C=Cc2ccccc21,CO,293.0
8075,CNCCCC1c2ccccc2C=Cc2ccccc21,O,292.0
12829,N#CC(C#N)=C(c1ccc(-n2ccc3ccccc32)cc1)c1ccc(-n2ccc3ccccc32)cc1,Cc1ccccc1,400.0
12163,Fc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1/C=C/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,367.0
5663,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,C1CCOC1,416.0
5663,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,CC#N,416.0
5663,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,CN(C)C=O,416.0
5663,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,CO,416.0
5663,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,Cc1ccccc1,416.0
5663,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,ClCCl,416.0
2002,CC1=CC(C)(C)N(C)c2cc3c(cc21)C(c1ccc(NC(=O)c2ccc(CCl)cc2)cc1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)C=C2C,O,586.0
4084,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(CC=Cc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21,Clc1ccccc1,470.0
13707,O=C(O)c1ccc(-c2nc(-c3ccccc3)c3c4ccccc4ccn23)cc1,CC#N,353.0
6407,CCN1CCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3)C(C)=CC(C)(C)[N+]=2CC,CCO,647.0
2332,CCC1(CC)c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,Cc1ccccc1,412.0
2660,CCCCC(CC)COc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)c3ccc(-c4ccc(-c5cc6c(s5)-c5sc(-c7ccc(/C=C(\C#N)C(=O)O)cc7)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)cc3)cc2)c(OCC(CC)CCCC)c1,CC#N,441.0
1746,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCCC3)cc21,Cc1ccccc1,397.0
1746,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCCC3)cc21,ClC(Cl)Cl,402.0
1746,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCCC3)cc21,O,411.0
1746,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCCC3)cc21,C1COCCO1,394.0
1746,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCCC3)cc21,CC#N,397.0
1746,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCCC3)cc21,CCO,398.0
1746,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCCC3)cc21,CS(C)=O,405.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,C1CCCCC1,352.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,C1CCOC1,355.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,C1COCCO1,355.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CC#N,355.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CC(C)O,355.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CCCCCC,352.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CCCCCCC,352.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CCCCO,357.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CCO,357.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CCOC(C)=O,352.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CCOCC,350.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CN(C)C=O,367.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CO,362.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,CS(C)=O,370.0
7442,CN(C)c1ccc(/C=C/c2ccccn2)cc1,O,348.0
14088,O=C1c2ccccc2C2=Nc3cccc4cccc(c34)N12,ClCCl,448.0
10598,Cc1cc(/C=C/c2cnc[nH]2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
10440,Cc1cc(/C=C/c2[nH]cnc2C)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,566.0
14169,O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3n2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,314.0
10730,Cc1cc(C)c(C2=C3C=CC(c4ccc5ccccc5c4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccc3ccccc3c2)c(C)c1,ClC(Cl)Cl,573.0
15065,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1,Cc1ccccc1,398.0
230,C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,512.0
230,C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCOC(C)=O,502.0
230,C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,513.0
230,C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,521.0
230,C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,514.0
230,C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,512.0
15179,c1ccc(/C(=C(\c2ccccc2)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-c3ccccc3)cc2)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-c3ccccc3)cc2)cc1,C1CCOC1,302.0
10942,Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cc5)cc4)c(/C(=C(/c4ccccc4)c4cc(-c5ccc(-c6ccc(C)cc6)cc5)ccc4-c4ccc(-c5ccc(C)cc5)cc4)c4ccccc4)c3)cc2)cc1,C1CCOC1,308.0
8207,COC(=O)CCC1=CC(C#Cc2ccsc2)=[N+]2C1=Cc1c(CCC(=O)OC)cc(C#Cc3ccsc3)n1[B-]2(F)F,ClCCl,633.0
10240,C[Si]1(C)c2ccc(-c3ccccc3)cc2C=Cc2cc(-c3ccccc3)ccc21,ClCCl,338.0
9049,COc1ccc(-c2ccc3c(c2)C=Cc2cc(-c4ccc(OC)cc4)ccc2[Si]3(C)C)cc1,ClCCl,334.0
773,CC(C)(C)C1=CC2=C3C(=CC=C4C=CC(c5cc6c7cc(-c8ccc9ccc%10cc(C(C)(C)C)cc%11ccc8c9c%10%11)ccc7c(-c7ccc8ccc9cc(C(C)(C)C)cc%10ccc7c8c9%10)cc6c6cc(-c7ccc8ccc9cc(C(C)(C)C)cc%10ccc7c8c9%10)ccc56)=C(C=C2)C43)C1,ClCCl,349.0
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,C1CCCCC1,487.0
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,C1COCCO1,495.5
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CC#N,507.5
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CC(C)=O,507.0
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CCCCCCC,483.0
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CCO,513.0
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CCOC(C)=O,501.0
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CN(C)C=O,516.0
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CS(C)=O,522.5
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,Cc1ccccc1,505.5
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,ClC(Cl)Cl,517.0
7749,CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,ClCCl,514.5
2720,CCCCC(CC)Cn1c2cc(C#N)ccc2c2ccc(C#Cc3cc(C#Cc4ccc5c6ccc(C#N)cc6n(CC(CC)CCCC)c5c4)c4ccc5c(C#Cc6ccc7c8ccc(C#N)cc8n(CC(CC)CCCC)c7c6)cc(C#Cc6ccc7c8ccc(C#N)cc8n(CC(CC)CCCC)c7c6)c6ccc3c4c65)cc21,ClCCl,467.0
1536,CC(c1ccc(OCCCCCCN2c3ccccc3Sc3cc(/C=C(/C#N)C(=O)O)ccc32)cc1)(c1ccc(OCCCCCCN2c3ccccc3Sc3cc(/C=C(/C#N)C(=O)O)ccc32)cc1)c1ccc(OCCCCCCN2c3ccccc3Sc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,CN(C)C=O,410.0
3028,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)c3ccc4c(c3)sc3c5ccc(-c6cc(C)c(C=C(C#N)C(=O)O)s6)cc5sc43)cc21,ClC(Cl)Cl,464.0
6787,CCOC(=O)c1ccc(/C=C/C2=[N+]3C(=C(c4ccccc4)c4ccc(/C=C/c5ccc(C(=O)OCC)o5)n4[B-]3(F)F)C=C2)o1,ClC(Cl)Cl,671.0
4723,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4cc5c(s4)c4sccc4n5-c4ccc(OCC(CC)CCCC)cc4)s3)c3nsnc23)sc1-c1ccc(C(=O)O)cc1,ClCCl,518.0
2058,CC1=CC(C)=[N+]2C1=C(c1ccc(C(=O)OC3C[C@@H]4CC[C@]3(C)C4(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,Cc1ccccc1,506.0
14085,O=C1c2ccccc2C2=Cc3cccc[n+]3[B-](F)(F)N12,CCO,391.0
14085,O=C1c2ccccc2C2=Cc3cccc[n+]3[B-](F)(F)N12,Cc1ccccc1,399.0
6995,CC[N+]1=c2cc3c(cc2CC1)=Nc1ccc(N)cc1O3,CCO,612.0
6303,CCN(CCCS(=O)(=O)[O-])c1ccc2c(C(C)(C)C)cc(/C=C/C=C3/N(CCC[SH](=O)([O-])O)c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,692.0
6106,CCN(CC)c1ccc2c(C(C)(C)C)cc(/C=C/C=C3/N(CCCCCC(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)[o+]c2c1,CCO,691.0
6107,CCN(CC)c1ccc2c(C(C)(C)C)cc(/C=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,692.0
493,C=C=C/C(=C\C=C)c1c(C)c(/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCC(=O)O)[o+]c2cc(N(CC)CCCS(=O)(=O)[O-])ccc12,CCO,709.0
5460,CCCCOc1c(C=C2N(C)c3ccccc3C2(C)C)c(=O)c1=O,CCO,425.0
7993,CN1C(=Cc2c([S-])c(=O)c2=O)C(C)(C)c2ccccc21,CCO,446.0
3120,CCCCCCCCCCCCN1/C(=C/c2c(O)c(=O)c2=O)C(C)(C)c2ccccc21,CC#N,421.0
3370,CCCCCCCCN1C(=Cc2c(OCC)c(=O)c2=O)C(C)(C)c2cc(C(=O)O)ccc21,CCO,428.0
5127,CCCCCCn1c2ccccc2c2cc(N(c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5CCCCCC)c(C(=O)OC)c3)ccc21,ClCCl,493.0
5128,CCCCCCn1c2ccccc2c2cc(N(c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5CCCCCC)cc3)ccc21,ClCCl,536.0
13633,O=C(O)CN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,CCO,455.0
13633,O=C(O)CN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,CO,458.0
13633,O=C(O)CN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,ClCCl,485.0
8752,COc1cc(N(c2ccccc2)c2ccccc2)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O,CC#N,472.0
13616,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,CC#N,468.0
13616,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,CCO,458.0
550,C=Cc1ccc(N(c2ccccc2)c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1,CO,461.0
13648,O=C(O)CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,CCO,458.0
11543,Cc1cccc(N(c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)c2ccc(C)c(C)c2)c1,CS(C)=O,469.0
5078,CCCCCCn1c2ccc(/C=N/c3ccc4c(c3)c3ccccc3n4CC)cc2c2cc(/C=C(\C#N)C(=O)O)ccc21,ClCCl,396.0
285,C(=C/c1nc2ccccc2o1)\c1ccc(Cn2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5cn(Cc6ccc(/C=C/c7nc8ccccc8o7)cc6)nn5)cc4)cc3)nn2)cc1,CN(C)C=O,324.0
10732,Cc1cc(C)c(C2=C3C=CC(c4ccccc4O)=[N+]3[B-]3(c4ccccc4)Oc4ccccc4-c4ccc2n43)c(C)c1,ClC(Cl)Cl,588.0
2133,CC1=[N+]2C(=C(Oc3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,582.0
2133,CC1=[N+]2C(=C(Oc3ccccc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,577.0
6359,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4cc(OC)ccc4c3-c3c(O)ccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,521.0
6360,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4cc(OC)ccc4c3-c3c(OC(C)C)ccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,550.0
6361,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4cc(OC)ccc4c3-c3cccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,543.0
6362,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4cc([N+](=O)[O-])ccc4c3-c3c(O)ccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,500.0
6363,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4cc([N+](=O)[O-])ccc4c3-c3c(OC(C)C)ccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,509.0
6364,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4cc([N+](=O)[O-])ccc4c3-c3cccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,505.0
6365,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4ccccc4c3-c3c(O)ccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,519.0
6366,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4ccccc4c3-c3c(OC(C)C)ccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,537.0
6367,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4ccccc4c3-c3cccc4ccccc34)c(=O)n2CCC(=O)O)SC1=S,CS(C)=O,535.0
7996,CN1C(=O)/C(=C/c2ccncc2)N=C1c1ccccc1,C1COCCO1,379.0
7996,CN1C(=O)/C(=C/c2ccncc2)N=C1c1ccccc1,CC#N,377.0
7996,CN1C(=O)/C(=C/c2ccncc2)N=C1c1ccccc1,CCO,377.0
7996,CN1C(=O)/C(=C/c2ccncc2)N=C1c1ccccc1,CCOC(C)=O,379.0
7996,CN1C(=O)/C(=C/c2ccncc2)N=C1c1ccccc1,O,368.0
5373,CCCCN1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2Sc2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4nsnc34)ccc21,C1CCOC1,464.0
2632,CCCCC(CC)COc1c(OCC(CC)CCCC)c2c3sc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)c5nc(-c6ccc(C)s6)c(-c6csc(C)c6)nc45)cc3sc2c2sc3cc(/C=C(/C#N)C(=O)O)sc3c12,C1CCOC1,481.0
1145,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c2c45)c86)C(=O)N(c2ccccc2)C7=O)C(=O)N(c2ccccc2)C3=O)cc1,ClC(Cl)Cl,586.0
1497,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O,Cc1ccccc1,581.0
11020,Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5[n+](c4)[B-](F)(F)n4c-5nc5c6ccccc6c6ccccc6c54)ccc32)cc1,ClC(Cl)Cl,444.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,C1CCOC1,377.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,C1COCCO1,378.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,CC#N,388.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,CC(C)(C)O,387.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,CC(C)=O,382.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,CC(C)O,389.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,CCOCC,371.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,CO,396.0
7680,CN(C)c1ccc2c(c1)C(=O)NC2=O,O,408.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,CC(C)O,367.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,CCOCC,350.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,CO,368.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,CC#N,357.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,O,370.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,CC(C)(C)O,370.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,C1COCCO1,352.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,C1CCOC1,357.0
13381,Nc1ccc2c(c1)C(=O)NC2=O,CC(C)=O,357.0
7111,CCn1c(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1,CCOC(C)=O,344.0
12247,Fc1nc(F)c(F)c(/C=C2/C(c3c(F)c(F)nc(F)c3F)=Cc3ccccc32)c1F,CC#N,335.0
5147,CCCCCCn1cc(/C=C(/C#N)c2ccc(/C=N/c3ccc(C(=O)O)cc3)s2)c2ccccc21,ClC(Cl)Cl,452.0
5145,CCCCCCn1cc(/C=C(/C#N)c2ccc(/C=N/c3ccc(C(=O)O)cc3)s2)c2cc(OC)ccc21,ClC(Cl)Cl,462.0
5146,CCCCCCn1cc(/C=C(/C#N)c2ccc(/C=N/c3ccc(C(=O)O)cc3)s2)c2cc([N+](=O)[O-])ccc21,ClC(Cl)Cl,451.0
2384,CCC1(CC)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)cc21,ClCCl,513.0
4567,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(C4=C([O-])/C(=C\C5=[N+](CCCC)c6ccc(C(=O)O)cc6C5(C)C)C4=O)c4c3OCCO4)cc2)cc1,CCO,691.0
4570,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(C4=C([O-])C(=CC5=[N+](CCCC)c6ccc(C(=O)O)cc6C5(C)C)C4=O)c4c3OCCO4)cc2)cc1,CCO,700.0
13728,O=C(O)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,385.0
12578,N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc(N(c2ccc(/C=C\C(=O)O)cc2)c2ccc(/C=C\C(=O)O)cc2)cc1,C1CCOC1,556.0
9531,COc1ccc(N(c2ccc(/C=C(\C)c3ccccc3)cc2)c2ccc(OC)cc2)cc1,Cc1ccccc1,347.0
9533,COc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)c2ccc(OC)cc2)cc1,ClCCl,475.0
12348,N#C/C(=C\c1cc(Br)c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1Br)C(=O)O,ClCCl,441.0
12349,N#C/C(=C\c1cc(C#N)c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C#N)C(=O)O,ClCCl,500.0
12350,N#C/C(=C\c1cc(Cl)c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1Cl)C(=O)O,ClCCl,444.0
5503,CCCCOc1ccc(N(c2ccc(/C=C/c3cc(OCC)c(/C=C(/C#N)C(=O)O)cc3OCC)cc2)c2ccc(OCCCC)cc2)cc1,ClCCl,505.0
9224,COc1ccc(/C(C#N)=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,403.0
13526,O=C(O)C(=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,425.0
8730,COc1cc(C=C(C#N)C(=O)O)c(OC)cc1C=Cc1cc(OC)c(N(c2ccccc2)c2ccccc2)cc1OC,CCO,302.0
8731,COc1cc(C=C(C#N)C(=O)O)c(OC)cc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,CCO,304.0
6510,CCOC(=O)/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,414.0
12515,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,C1CCOC1,433.0
12516,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)S(=O)(=O)O,ClCCl,422.0
12518,N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1F)C(=O)O,C1CCOC1,436.0
241,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccccc1,CC#N,362.0
241,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccccc1,CCCCCC,362.0
12000,FS(F)(F)(F)(F)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CC(C)=O,381.0
12000,FS(F)(F)(F)(F)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,385.0
12000,FS(F)(F)(F)(F)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,386.0
12739,N#CC(=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,438.0
6888,CCOc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(OCC)cc1/C=C(/C#N)C(=O)O,ClCCl,478.0
12633,N#CC(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)/C=N/O,ClCCl,426.0
572,CC(=Cc1ccc(C=C(C#N)C(=O)O)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,305.0
11243,Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2)cc1,C1CCOC1,437.0
11244,Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)cc1,ClCCl,463.0
4345,CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc(OCCC)c(/C=C(\C#N)C(=O)O)cc3OCCC)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,472.0
12337,N#C/C(=C\c1c(F)cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1F)C(=O)O,C1CCOC1,422.0
4352,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,453.0
12568,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C#N)cc1,C1CCOC1,420.0
4607,CCCCCCOc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Sc3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)cc1,ClCCl,478.0
5697,CCCCn1c2cc(-c3ccc(C4=[N+]5C(=C(c6ccc(/C=C(\C#N)C(=O)O)s6)c6ccc(-c7ccc(-c8ccc9c%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10n(CCCC)c9c8)s7)n6[B-]5(F)F)C=C4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,754.0
9747,COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)ccc1P2(=O)c1ccccc1,Cc1ccccc1,369.0
8651,COc1cc(-c2cnc(-c3ccncc3)o2)cc(OC)c1OC,ClCCl,332.0
2845,CCCCCC1c2c(C)c(-c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)o3)c(C)n2[B-](F)(F)[N+]2=C(C)C(c3ccc4c(c3)Sc3ccccc3N4CCC)=C(C)C12,ClC(Cl)Cl,556.0
7283,CN(C)c1cc(-c2ccccc2)cc2cc(C#Cc3ccncc3)ccc12,ClCCl,345.0
2846,CCCCCC1c2c(C)c(-c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)s3)c(C)n2[B-](F)(F)[N+]2=C(C)C(c3ccc4c(c3)Sc3ccccc3N4CCC)=C(C)C12,ClC(Cl)Cl,541.0
12064,F[B-]1(F)n2c(-c3ccccc3)cc(-c3ccccn3)c2N=C2C(c3ccccn3)=CC(c3ccccc3)=[N+]21,CC#N,655.0
3335,CCCCCCCCCc1c2ccccc2cc2c1oc1c3c(c4ccccc4c12)-c1c(c2oc4cc5ccccc5cc4c2c2ccccc12)OCO3,C1CCOC1,397.0
10197,C[Si](C)(c1c2ccccc2cc2ccccc12)[Si](C)(C)c1c2ccccc2cc2ccccc12,C1CCCCC1,397.1539901
111,C(#Cc1c(C#Cc2cccs2)c(C#Cc2cccs2)c(C#Cc2cccs2)c(C#Cc2cccs2)c1C#Cc1cccs1)c1cccs1,ClCCl,371.0
1423,CC(C)[Si](C#Cc1c2ccccc2c(C#Cc2c3ccccc3c(C#Cc3c4ccccc4c(C#Cc4c5ccccc5c(C#Cc5c6ccccc6c(C#Cc6c7ccccc7c(C#C[Si](C(C)C)(C(C)C)C(C)C)c7ccccc67)c6ccccc56)c5ccccc45)c4ccccc34)c3ccccc23)c2ccccc12)(C(C)C)C(C)C,Cc1ccccc1,589.0
3003,CCCCCCCCC1(CCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc21,ClCCl,564.0
3005,CCCCCCCCC1(CCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc5c(c4)[C@H]4CCC[C@H]4N5c4ccc(C)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc21,ClCCl,564.0
14894,c1cc2ccc3ccc(-c4ccncc4)c4ccc(c1)c2c34,Cc1ccccc1,344.0
11308,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)cc3C3CCCC32)cc1,ClCCl,484.0
11309,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,484.0
11295,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5nsnc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,496.0
10141,C[N+]1=c2ccc3c(c2C(C)(C)CC1)Oc1cc2c(cc1C=3c1ccccc1C(=O)O)C(c1ccccc1C(=O)O)=c1ccc3c(c1O2)C(C)(C)CC[N+]=3C,ClC(Cl)Cl,617.0
2529,CCCC1(CCC)c2ccccc2-c2ccc(N(c3ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)cc3)c3ccc4c(c3)C(CCC)(CCC)c3c5c(c6c(c3-4)C(CCC)(CCC)c3ccccc3-6)C(CCC)(CCC)c3ccccc3-5)cc21,ClCCl,524.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,ClCCl,349.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,C1CCOC1,349.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,C1COCCO1,348.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,CC#N,348.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,CC(C)=O,349.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,CCCCO,350.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,CCCO,350.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,CCO,350.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,CCOC(C)=O,348.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,CN(C)C=O,350.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,CO,348.0
14501,O=c1cc(COc2ccc(I)cc2)c2c(ccc3ccccc32)o1,Cc1ccccc1,350.0
3478,CCCCCCCCOc1c2cccc3c(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc4c(OCCCCCCCC)c5cccc6c(-c7ccc(/C=C(\C#N)C(=O)O)s7)cc1c(c65)c4c32,C1CCOC1,464.0
1073,CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(/C=C/c6ccc(C(C)(C)C)cc6)cc5)c5ccc(/C=C/c6ccc(C(C)(C)C)cc6)cc5)cc4)cc3)cc2)cc1,Cc1ccccc1,373.0
1073,CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(/C=C/c6ccc(C(C)(C)C)cc6)cc5)c5ccc(/C=C/c6ccc(C(C)(C)C)cc6)cc5)cc4)cc3)cc2)cc1,C1CCOC1,375.0
4313,CCCCCCOc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(OCCCCCC)cc4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(/C=C/c6ccc(OCCCCCC)cc6)cc5)c5ccc(/C=C/c6ccc(OCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1,Cc1ccccc1,374.0
4313,CCCCCCOc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(OCCCCCC)cc4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(/C=C/c6ccc(OCCCCCC)cc6)cc5)c5ccc(/C=C/c6ccc(OCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1,C1CCOC1,378.0
11167,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3c2ccc3N2CCC(N3CCCCC3)CC2)cc1,ClCCl,481.0
12586,N#C/C(=C\c1ccc2c(c1)Sc1cc(Nc3ccc4c(c3)C(=O)/C(=C3\Sc5ccccc5C3=O)S4)ccc1N2c1ccccc1)C(=O)O,CCO,492.0
3809,CCCCCCCCn1c2cc(C=C(C#N)C(=O)O)sc2c2sc(-c3ccc4c(c3)c3c(n4CCCCCC)-c4ccccc4C34c3ccccc3-c3ccccc34)cc21,ClCCl,529.0
1239,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,455.0
10335,Cc1c(CC(=O)ON2C(=O)C=CC2=O)c(=O)oc2c(F)c(O)c(F)cc12,O,362.0
6334,CCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,C1CCCCC1,359.0
5303,CCCCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,C1CCCCC1,357.0
5303,CCCCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,Cc1ccccc1,361.0
5303,CCCCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,ClCCl,509.0
6334,CCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,Cc1ccccc1,362.0
6334,CCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,ClCCl,509.0
7293,CN(C)c1ccc(-c2c(/C=C3/C=Cc4ccccc4N3C)c(=O)c2=O)cc1,C1CCCCC1,358.0
7293,CN(C)c1ccc(-c2c(/C=C3/C=Cc4ccccc4N3C)c(=O)c2=O)cc1,Cc1ccccc1,362.0
7293,CN(C)c1ccc(-c2c(/C=C3/C=Cc4ccccc4N3C)c(=O)c2=O)cc1,ClCCl,509.0
5801,CCCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,C1CCCCC1,358.0
5801,CCCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,Cc1ccccc1,362.0
5801,CCCN1/C(=C\c2c(-c3ccc(N(C)C)cc3)c(=O)c2=O)C=Cc2ccccc21,ClCCl,509.0
3713,CCCCCCCC[Si]1(CCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)s3)cc21,ClCCl,532.0
3714,CCCCCCCC[Si]1(CCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc21,ClCCl,506.0
10233,C[Si]1(C)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc21,ClCCl,495.0
3556,CCCCCCCCOc1ccc(N(c2ccc(-c3cc4c(s3)-c3cc5c(cc3C4(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)-c3sc(-c4ccc(-c6ccc(C(=O)O)cc6)c6nonc46)cc3C5(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)cc2)c2ccc(OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)c1,Cc1ccccc1,536.0
3966,CCCCCCN1C(=O)C2=C(c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)N(CCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,ClCCl,543.0
10860,Cc1cc2cccc3c(-c4ccccc4)nc1n23,CO,450.0
2563,CCCCC(CC)CC1(CC(CC)CCCC)c2cc(C=C(C#N)C(=O)O)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(CC(CC)CCCC)CC(CC)CCCC,C1CCOC1,408.0
10795,Cc1cc(C2=Cc3cccc[n+]3[B-](F)(F)O2)ccc1N(C)C,ClC(Cl)Cl,400.0
12045,F[B-]1(F)OC(c2ccccc2)=Cc2cccc[n+]21,ClCCl,397.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,C1CCOC1,420.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,C1COCCO1,417.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,CC#N,417.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,CC1CCCCC1,413.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,CCOC(C)=O,416.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,CCOCC,413.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,CN(C)C=O,423.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,CO,418.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,COC(C)=O,417.0
7571,CN(C)c1ccc(C2=Cc3cccc[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,426.0
603,CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(C#N)cc3)C(=O)O2)cc1,C1COCCO1,389.0
8365,COC(=O)c1ccc(/C=C2\N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1,C1COCCO1,391.0
8368,COC(=O)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1,C1COCCO1,370.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,C1CCCCC1,456.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,C1COCCO1,466.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CC#N,473.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CC(C)=O,470.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CC(C)O,470.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CCCCCC,443.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CCCCCO,470.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CCCCO,472.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CCO,470.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CN(C)C=O,482.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,CO,473.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,ClC(Cl)(Cl)Cl,466.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,ClC(Cl)Cl,472.0
7467,CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1,ClCCl,472.0
9455,COc1ccc(C2=N/C(=C\c3ccc(C#N)cc3)C(=O)O2)cc1OC,C1COCCO1,393.0
9457,COc1ccc(C2=N/C(=C\c3ccccc3)C(=O)O2)cc1OC,C1COCCO1,378.0
14007,O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1,C1COCCO1,363.0
13132,N#Cc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1,C1COCCO1,369.0
14886,c1cc2ccc3[o+]c4ccc5cccc6c7cccc8c(c1)c2c3c(c87)c4c56,ClCCl,573.0
5442,CCCCOC(=O)/C=C/c1nc2c([nH]1)CN(CC)C(=O)N2CC,ClCCl,349.0
1053,CC(C)(C)c1ccc(-c2sc(-c3ccc(C(C)(C)C)cc3)c3[nH]c(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)cc4)nc23)cc1,C1CCOC1,426.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,ClC(Cl)Cl,404.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,ClCCl,420.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,c1ccccc1,411.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,c1ccncc1,419.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CC#N,409.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CC(C)=O,416.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CC(C)O,420.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CCCCCC,394.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CCCCO,425.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CCCO,422.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CCO,422.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CCOC(C)=O,408.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CCOCC,399.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CN(C)C=O,408.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CO,420.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,CS(C)=O,416.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,Cc1ccccc1,409.0
7415,CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1,ClC(Cl)(Cl)Cl,407.0
13045,N#Cc1cc(C#N)c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1,Cc1ccccc1,337.0
3419,CCCCCCCCN1c2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,449.0
13598,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(N6c7ccccc7C7C8CCC(C8)C76)cc5)s4)s3)s2)SC1=S,ClCCl,560.0
7962,CN1C(=CC2=C([O-])C(=Cc3oc4ccccc4[n+]3C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,608.0
9424,COc1ccc(C2=C3C(/C=C/c4cc(OC)c(OC)c(OC)c4)=C(C=O)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4cc(OC)c(OC)c(OC)c4)c(C=O)c(C=Cc4cc(OC)c(OC)c(OC)c4)c32)cc1,ClCCl,634.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,C1CCCCC1,430.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,C1CCOC1,430.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,C1COCCO1,430.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,CC#N,426.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,CC(C)=O,427.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,CO,426.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,Cc1ccccc1,433.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,ClC(Cl)Cl,431.0
2809,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccccc7)n(c26)P1(=O)c1ccccc1)c3c45,ClCCl,430.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,C1CCOC1,433.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,CC#N,431.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,CCOC(C)=O,430.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,CN(C)C=O,439.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,CO,437.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,CS(C)=O,443.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,Cc1ccccc1,431.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,ClC(Cl)Cl,434.0
8841,COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3s1)c1ccccc1n2C,ClCCl,435.0
2778,CCCCC1(CCCC)c2cc(C#Cc3ccc(C=C4c5ccccc5C=Cc5ccccc54)cc3)ccc2-c2ccc(C#Cc3ccc(C=C4c5ccccc5C=Cc5ccccc54)cc3)cc21,C1CCOC1,370.0
6139,CCN(CC)c1ccc2c(c1)OC(C(C)(C)C)=C/C2=C\C=C1\C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)[O-])C1=O,CCO,558.0
6138,CCN(CC)c1ccc2c(c1)OC(C(C)(C)C)=C/C2=C\C=C1\C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)O)C1=O,CCO,558.0
13261,NC1=N/C(=N\c2ccccn2)c2cccc3cccc1c23,ClCCl,365.0
2592,CCCCC(CC)CN1C(=O)c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)sc(-c3ccc(/C=C(\C#N)C(=O)O)o3)c2C1=O,C1CCOC1,402.0
2085,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccc(F)cc3)n1[B-]2(F)F,CCCCCC,609.0
2085,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccc(F)cc3)n1[B-]2(F)F,CCCCCCCCO,613.0
2085,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccc(F)cc3)n1[B-]2(F)F,CCOC(C)=O,607.0
2085,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccc(F)cc3)n1[B-]2(F)F,CN(C)C=O,612.0
2086,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccccc3)n1[B-]2(F)F,CCCCCC,608.0
2086,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccccc3)n1[B-]2(F)F,CCCCCCCCO,612.0
2086,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccccc3)n1[B-]2(F)F,CCOC(C)=O,606.0
2086,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccccc3)n1[B-]2(F)F,CN(C)C=O,612.0
2086,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3ccccc3)n1[B-]2(F)F,ClCCl,612.0
9331,COc1ccc(C#Cc2c3ccccc3c3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,CCCCCC,611.0
9331,COc1ccc(C#Cc2c3ccccc3c3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,CCCCCCCCO,615.0
9331,COc1ccc(C#Cc2c3ccccc3c3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,CCOC(C)=O,610.0
9331,COc1ccc(C#Cc2c3ccccc3c3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,CN(C)C=O,615.0
9331,COc1ccc(C#Cc2c3ccccc3c3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,ClCCl,616.0
10249,C[Si]1(c2ccccc2)C(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1,C1CCOC1,404.0
6687,CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12,O,275.0
13225,N#Cc1nc2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c2nc1C#N,Cc1ccccc1,442.0
3901,CCCCCCCc1cc2c(o1)=CC1=C3c4cc5oc(CCCCCCC)cc5n4[B-](F)(F)[n+]4nnn(c43)[B-](F)(F)[N+]=21,ClCCl,685.0
3901,CCCCCCCc1cc2c(o1)=CC1=C3c4cc5oc(CCCCCCC)cc5n4[B-](F)(F)[n+]4nnn(c43)[B-](F)(F)[N+]=21,C1CCOC1,676.0
5660,CCCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c21,C1CCOC1,425.0
4536,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3nc4c(-c5cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s5)ccc(-c5cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s5)c4n3CCCCCC)cc2)cc1,C1CCOC1,451.0
4537,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3nc4c(-c5cc(CCCCCC)c(C=C(C#N)C(=O)O)s5)ccc(-c5cc(CCCCCC)c(C=C(C#N)C(=O)O)s5)c4n3CCCCCC)cc2)cc1,C1CCOC1,451.0
14739,[BH3-][P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,C1CCCCC1,324.0
14739,[BH3-][P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CC#N,323.0
14739,[BH3-][P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CCO,323.0
14739,[BH3-][P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,ClCCl,325.0
10149,C[P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CC#N,335.0
10149,C[P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CCO,336.0
10149,C[P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,ClCCl,340.0
13962,O=C1NC(=O)[C@H]([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1C#Cc1ccc2c(c1)C(=O)c1ccccc1-2,CO,341.0
13962,O=C1NC(=O)[C@H]([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1C#Cc1ccc2c(c1)C(=O)c1ccccc1-2,ClC(Cl)Cl,345.0
13962,O=C1NC(=O)[C@H]([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1C#Cc1ccc2c(c1)C(=O)c1ccccc1-2,O,342.0
6206,CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,C1CCCCC1,425.4
6206,CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CC1CCCCC1,425.4
6206,CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CCC(C)CC,425.0
6206,CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CCCCCC,425.0
6206,CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CCO,458.0
6206,CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CCOC(C)=O,439.4
7304,CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nn2C)cc1,C1CCCCC1,288.0
7304,CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nn2C)cc1,CC#N,292.0
7304,CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nn2C)cc1,CCOC(C)=O,290.0
7304,CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nn2C)cc1,CCOCC,289.0
7304,CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nn2C)cc1,CN(C)C=O,295.0
7304,CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nn2C)cc1,Cc1ccccc1,292.0
7304,CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nn2C)cc1,ClCCl,292.0
7305,CN(C)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nn2C)cc1,ClCCl,283.0
11910,Cn1nc(-c2ccc(C#N)cc2)cc1-c1ccccc1,ClCCl,282.0
11911,Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1-c1ccccc1,ClCCl,260.0
7308,CN(C)c1ccc(-c2cc(-c3ccccc3)nn2C)cc1,ClCCl,280.0
11918,Cn1nc(-c2ccccc2)cc1-c1ccccc1,ClCCl,254.0
8976,COc1ccc(-c2cc(-c3ccccc3)nn2C)cc1,ClCCl,257.0
8967,COc1ccc(-c2cc(-c3ccc(C#N)cc3)nn2C)cc1,ClCCl,281.0
8968,COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nn2C)cc1,ClCCl,262.0
2922,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3S4(=O)=O)cc21,Cc1ccccc1,320.0
2922,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3S4(=O)=O)cc21,ClC(Cl)Cl,326.0
11023,Cc1ccc(-n2c3ccccc3c3cc(C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,C1CCOC1,442.0
11023,Cc1ccc(-n2c3ccccc3c3cc(C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CC#N,445.0
11023,Cc1ccc(-n2c3ccccc3c3cc(C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CC(C)=O,442.0
11023,Cc1ccc(-n2c3ccccc3c3cc(C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CCOC(C)=O,442.0
11023,Cc1ccc(-n2c3ccccc3c3cc(C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CO,447.0
11023,Cc1ccc(-n2c3ccccc3c3cc(C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CS(C)=O,453.0
11023,Cc1ccc(-n2c3ccccc3c3cc(C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,Cc1ccccc1,447.0
11023,Cc1ccc(-n2c3ccccc3c3cc(C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,ClC(Cl)Cl,458.0
7697,CN(C)c1ccc2c(c1)OC(c1ccccc1)=C/C2=C/c1cc(-c2ccccc2)[o+]c2cc(N(C)C)ccc12,ClCCl,650.0
1574,CC1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21,CO,797.0
15511,c1ccc2nc3c(nc2c1)c1c2n3CCCN2CCCC1,CC#N,419.0
15511,c1ccc2nc3c(nc2c1)c1c2n3CCCN2CCCC1,CCCCCC,408.0
15511,c1ccc2nc3c(nc2c1)c1c2n3CCCN2CCCC1,CS(C)=O,441.0
4587,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3SC4C(SC5C6SC(/C=C(\C#N)C(=O)O)CC6N(c6ccc(OCCCCCC)cc6)C45)C3CCCCCC)cc2)cc1,ClCCl,484.0
11053,Cc1ccc(/C=C(\c2ccccc2)c2nc3ccccc3o2)cc1,C1CCCCC1,325.0
11053,Cc1ccc(/C=C(\c2ccccc2)c2nc3ccccc3o2)cc1,CO,330.0
11762,Clc1ccc(/C=C(\c2ccccc2)c2nc3ccccc3o2)cc1,C1CCCCC1,330.0
11762,Clc1ccc(/C=C(\c2ccccc2)c2nc3ccccc3o2)cc1,CO,330.0
3073,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2ccccc2-c2cc3ccc(C=C4C(=O)C(C=C5C=Cc6cc(C(=O)O)ccc6N5C)=C4[O-])[n+](C)c3cc21,ClC(Cl)Cl,754.0
7384,CN(C)c1ccc(-c2sc(-c3ccc(/C=C(\C#N)C(=O)O)o3)c3c2OCCO3)cc1,C1CCOC1,457.0
2524,CCCC1(CCC)c2ccccc2-c2cc(N3c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)cc4C4CCCC43)ccc21,ClCCl,508.0
10404,Cc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(-c2ncc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)o2)c1O,Cc1ccccc1,310.0
10405,Cc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1cnc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2O)o1,Cc1ccccc1,309.0
12778,N#CC(=Cc1ccc(N(c2ccc(C#Cc3ccccn3)cc2)c2ccc(C#Cc3ccccn3)cc2)cc1)C(=O)O,ClCCl,435.0
11907,Cn1cccc1-c1cc2sc(C=C(C#N)C(=O)O)cc2s1,CCO,364.0
7163,CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(C=C5SC(=S)N(CC(=O)O)C5=O)cc4)ccc3n(CC)c21,C1CCOC1,456.0
7161,CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)cc4)ccc3n(CC)c21,C1CCOC1,456.0
5573,CCCC[N+]6=C(C=c4c([O-])c(C=c2cc(c1ccccc1)oc3ccccc23)c4=O)C(C)(C)c5cc(C(=O)O)ccc56,CCO,679.0
3354,CCCCCCCCN(CCCCCCCC)c1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)N(CC(=O)O)C4=O,CC#N,500.0
1421,CC(C)[Si](C#Cc1c2ccccc2c(C#Cc2c3ccccc3c(C#Cc3c4ccccc4c(C#Cc4c5ccccc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)c5ccccc45)c4ccccc34)c3ccccc23)c2ccccc12)(C(C)C)C(C)C,Cc1ccccc1,582.0
4150,CCCCCCOc1c(Cl)c(Oc2ccc(S(=O)(=O)O)cc2)c(OCCCCCC)c2c1C1=N/C2=N\c2c3c(OCCCCCC)c(Cl)c(Oc4ccc(S(=O)(=O)O)cc4)c(OCCCCCC)c3c3n2[Zn]n2/c(c4c(OCCCCCC)c(Cl)c(Oc5ccc(S(=O)(=O)O)cc5)c(OCCCCCC)c4/c2=N/1)=N\C1=N/C(=N\3)c2c(OCCCCCC)c(Cl)c(Oc3ccc(S(=O)(=O)O)cc3)c(OCCCCCC)c21,CS(C)=O,731.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CCO,358.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CCOC(C)=O,344.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CO,353.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,Cc1ccccc1,346.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,ClC(Cl)Cl,352.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,ClCCl,345.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CC#N,344.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CCCCCC,344.0
1716,CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CCCCO,352.0
9243,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](OC(C)=O)(OC(C)=O)O2)cc1,ClCCl,464.0
9239,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC,CCO,492.1
9239,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC,CCOCC,490.1
9239,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC,CO,491.0
9239,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC,CS(C)=O,513.0
8667,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-](F)(F)O2)ccc1O,CCO,503.1
8667,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-](F)(F)O2)ccc1O,CCOCC,492.9
8667,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-](F)(F)O2)ccc1O,CO,500.0
8667,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-](F)(F)O2)ccc1O,CS(C)=O,527.0
8667,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-](F)(F)O2)ccc1O,Cc1ccccc1,495.9
8667,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-](F)(F)O2)ccc1O,ClC(Cl)Cl,497.0
8667,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-](F)(F)O2)ccc1O,ClCCl,497.0
8667,COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O+][B-](F)(F)O2)ccc1O,c1ccccc1,498.1
9239,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC,Cc1ccccc1,502.1
9239,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC,ClC(Cl)Cl,500.0
9239,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC,ClCCl,502.1
9239,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC,c1ccccc1,504.0
9242,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](F)(F)O2)cc1,CC#N,483.0
9242,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](F)(F)O2)cc1,CC(C)=O,483.0
9242,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](F)(F)O2)cc1,CCOC(C)=O,480.0
9242,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](F)(F)O2)cc1,CCOCC,475.0
643,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,C1CCOC1,434.0
643,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,CC#N,434.0
643,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,CC(C)=O,434.0
643,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,CS(C)=O,442.0
643,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,Cc1ccccc1,436.0
643,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,ClC(Cl)Cl,440.0
643,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,ClCCl,440.0
9242,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](F)(F)O2)cc1,ClC(Cl)(Cl)Cl,477.0
9242,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](F)(F)O2)cc1,ClCCl,488.0
9243,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](OC(C)=O)(OC(C)=O)O2)cc1,C1CCOC1,456.0
9243,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](OC(C)=O)(OC(C)=O)O2)cc1,CC#N,462.0
9243,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](OC(C)=O)(OC(C)=O)O2)cc1,CC(C)=O,458.0
9243,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](OC(C)=O)(OC(C)=O)O2)cc1,CS(C)=O,468.0
9243,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](OC(C)=O)(OC(C)=O)O2)cc1,Cc1ccccc1,456.0
645,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccccc2)=CC(/C=C/c2ccccc2)=[O+]1,C1CCOC1,422.0
645,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccccc2)=CC(/C=C/c2ccccc2)=[O+]1,CC#N,422.0
645,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccccc2)=CC(/C=C/c2ccccc2)=[O+]1,CC(C)=O,422.0
645,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccccc2)=CC(/C=C/c2ccccc2)=[O+]1,CS(C)=O,428.0
645,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccccc2)=CC(/C=C/c2ccccc2)=[O+]1,Cc1ccccc1,424.0
645,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccccc2)=CC(/C=C/c2ccccc2)=[O+]1,ClC(Cl)Cl,426.0
645,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccccc2)=CC(/C=C/c2ccccc2)=[O+]1,ClCCl,424.0
9243,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)cc3)=[O+][B-](OC(C)=O)(OC(C)=O)O2)cc1,ClC(Cl)Cl,464.0
9462,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(-c5cccs5)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2c2cccs2)cc1,C1CCOC1,645.0
9462,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(-c5cccs5)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2c2cccs2)cc1,CC#N,635.0
9462,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(-c5cccs5)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2c2cccs2)cc1,Cc1ccccc1,653.0
12095,F[B-]1(F)n2c(cc(-c3cccs3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3cccs3)C(c3ccccc3)=[N+]21,C1CCOC1,620.0
12095,F[B-]1(F)n2c(cc(-c3cccs3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3cccs3)C(c3ccccc3)=[N+]21,CC#N,613.0
12095,F[B-]1(F)n2c(cc(-c3cccs3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3cccs3)C(c3ccccc3)=[N+]21,Cc1ccccc1,628.0
1192,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(=O)c2ccncc2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1,Cc1ccccc1,396.0
5574,CCCC[N+]1=C(C=C2C(=O)C(C=C3C=C(c4ccccc4)Sc4ccccc43)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CCO,728.0
8910,COc1ccc(-c2c(-c3ccccc3)n(C)c3nc(-c4ccc5ccccc5c4)c(-c4ccc(C)cc4)cc23)cc1,C1CCOC1,332.0
8901,COc1ccc(-c2c(-c3ccc(F)cc3)n(C)c3nc(-c4ccc5ccccc5c4)c(-c4ccc(C)cc4)cc23)cc1,C1CCOC1,332.0
2392,CCC1(CC)c2ccccc2-n2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nsnc45)cc3c3cccc1c32,C1CCOC1,483.0
4752,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(CC)CC)c3nsnc23)sc1/C=C(\C#N)C(=O)O,C1CCOC1,478.0
13080,N#Cc1ccc(-c2cc(-c3ccc(N4CCCC4)cc3)nc(-c3ccccc3)n2)cc1,ClC(Cl)Cl,385.0
11908,Cn1cccc1-c1ccc(C#N)cc1,CC#N,322.0
11908,Cn1cccc1-c1ccc(C#N)cc1,CCCCCC,317.0
11908,Cn1cccc1-c1ccc(C#N)cc1,CCCCOCCCC,321.0
11908,Cn1cccc1-c1ccc(C#N)cc1,CCOCC,321.0
11906,Cn1cccc1-c1cc(C#N)ccc1C#N,C1CCOC1,370.0
11906,Cn1cccc1-c1cc(C#N)ccc1C#N,CC#N,359.0
11906,Cn1cccc1-c1cc(C#N)ccc1C#N,CCCCCC,366.0
11906,Cn1cccc1-c1cc(C#N)ccc1C#N,CCCCOCCCC,370.0
11906,Cn1cccc1-c1cc(C#N)ccc1C#N,CCOCC,364.0
11908,Cn1cccc1-c1ccc(C#N)cc1,C1CCOC1,326.0
5085,CCCCCCn1c2ccc(C=C3C(=O)NC(=S)NC3=O)cc2c2cc(C=C3C(=O)NC(=S)NC3=O)ccc21,C1CCOC1,457.0
9202,COc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C(C)(C)C(c4ccc(/C=C(\C#N)C(=O)O)cc4)=N5)c4ccc5c(c4)c4ccccc4n5-c4ccc(OC)cc4)ccc32)cc1,C1CCOC1,477.0
12386,N#C/C(=C\c1ccc(-c2cc3sc4cc(-c5ccc(N(c6ccc7c(c6)OCCO7)c6ccc7c(c6)OCCO7)cc5)sc4c3s2)s1)C(=O)O,ClCCl,512.0
8899,COc1ccc(-c2c(-c3ccc(C)cc3)c3n(c2-c2ccc(C)cc2)[B-](F)(F)[N+]2=C(c4ccc(C)cc4)C(/C=C/C(=O)OC4CC[C@@]5(C)C(=CC[C@@H]6[C@@H]5CC[C@@]5(C)[C@H]6CC[C@@H]5[C@H](C)CCCC(C)C)C4)=C(c4ccc(C)cc4)C2=N3)cc1,ClC(Cl)Cl,662.0
1249,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)cc2)cc1,Cc1ccccc1,363.0
5616,CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(-n4c5ccc(CCCC)cc5c5cc(CCCC)ccc54)cc3)cc2)cc1,Cc1ccccc1,355.0
3743,CCCCCCCCc1ccc(-c2c3cc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(/C=C7\SC(SCC)=NC7=O)cc6CCCCCCCC)s5)s4)sc3c(-c3ccc(CCCCCCCC)s3)c3cc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(/C=C7\SC(SCC)=NC7=O)cc6CCCCCCCC)s5)s4)sc23)s1,ClC(Cl)Cl,500.0
186,C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,351.0
15399,c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3,C1CCCCC1,333.0
15399,c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3,ClCCl,333.0
5511,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc3nc(/C=C(/C#N)C(=O)O)ccc3c2)cc1,ClC(Cl)Cl,466.0
5512,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc3nc(/C=C(\C#N)C(=O)O)ccc3c2)cc1,ClC(Cl)Cl,466.0
12598,N#C/C(=C\c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2n1)C(=O)O,ClC(Cl)Cl,441.0
3945,CCCCCCN1/C(=C\C2=C([O-])/C(=C\C3=[N+](C)c4ccc(-c5sc(/C=C(\C#N)C(=O)O)c6c5OCC5(CO6)COc6c(/C=C(\C#N)C(=O)O)sc(-c7ccc8c(c7)CC(/C=C7/C(=O)C(/C=C9\N(CCCCCC)c%10ccccc%10C9(C)C)=C7[O-])=[N+]8C)c6OC5)cc4C3)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,661.0
12854,N#CC(C#N)=Cc1ccc(-c2cccc(-c3nc4ccccc4s3)c2O)o1,CCO,421.0
12854,N#CC(C#N)=Cc1ccc(-c2cccc(-c3nc4ccccc4s3)c2O)o1,ClCCl,428.0
14128,O=Cc1ccc(-c2ccc(O)c(-c3nc4ccccc4s3)c2)o1,CCO,341.0
12854,N#CC(C#N)=Cc1ccc(-c2cccc(-c3nc4ccccc4s3)c2O)o1,O,443.0
14622,Oc1ccc(-c2ccco2)cc1-c1nc2ccccc2s1,CCO,365.0
14622,Oc1ccc(-c2ccco2)cc1-c1nc2ccccc2s1,ClCCl,365.0
14132,O=Cc1ccc(-c2cccc(-c3nc4ccccc4s3)c2O)o1,CCO,363.0
14132,O=Cc1ccc(-c2cccc(-c3nc4ccccc4s3)c2O)o1,O,360.0
14602,Oc1c(-c2ccco2)cccc1-c1nc2ccccc2s1,ClCCl,360.0
14602,Oc1c(-c2ccco2)cccc1-c1nc2ccccc2s1,O,360.0
6132,CCN(CC)c1ccc2c(c1)O/C(=C/CC1C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)O)C1=O)C(C)=C2c1cccc(C(=O)O)c1,CCO,624.0
6133,CCN(CC)c1ccc2c(c1)O/C(=C/CC1C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)[O-])C1=O)C(C)=C2c1cccc(C(=O)O)c1,CCO,624.0
3447,CCCCCCCCN1c2ccccc2Sc2cc(-c3cc4nc5c6cccnc6c6ncccc6c5nc4cc3-c3ccc4c(c3)Sc3ccccc3N4CCCCCCCC)ccc21,ClCCl,456.0
10363,Cc1c2cc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3cc2c2n1[B-](F)(F)[n+]1c(C)c3cc5c(-c6ccccc6)c6c7cccc8cccc(c6c(-c6ccccc6)c5cc3c1=C2c1ccccc1)c87)-c1cccc2cccc-4c12,ClCCl,765.0
9200,COc1ccc(-n2c3ccccc3c3cc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc32)cc1,CCO,440.0
12475,N#C/C(=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nc(-c3ccccc3)c(-c3ccccc3)nc12)C(=O)O,CN(C)C=O,433.0
2106,CC1=CC(c2ccc3ccccc3c2)=[O+][B-]2(OC(=O)C(=O)O2)O1,CC#N,400.0
2106,CC1=CC(c2ccc3ccccc3c2)=[O+][B-]2(OC(=O)C(=O)O2)O1,ClC(Cl)(Cl)Cl,400.0
14606,Oc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c3c1CCCN3CCC2,C1CCOC1,367.0
14606,Oc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c3c1CCCN3CCC2,CC#N,365.0
14606,Oc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c3c1CCCN3CCC2,CCCCCC,364.0
14606,Oc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c3c1CCCN3CCC2,CO,365.0
14606,Oc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c3c1CCCN3CCC2,CS(C)=O,368.0
14606,Oc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c3c1CCCN3CCC2,Cc1ccccc1,369.0
14606,Oc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c3c1CCCN3CCC2,ClCCl,367.0
4983,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,465.0
3179,CCCCCCCCCCCCOc1ccc(/C=N/c2ccc3[nH]c(OCCCCCC)nc3c2)c(O)c1,ClC(Cl)Cl,360.0
3180,CCCCCCCCCCCCOc1ccc(/C=N/c2ccc3[nH]c(OCCCCCCCCCCCC)nc3c2)c(O)c1,ClC(Cl)Cl,360.0
3543,CCCCCCCCOc1ccc(/C=N/c2ccc3[nH]c(OCCCCCC)nc3c2)c(O)c1,ClC(Cl)Cl,359.0
3225,CCCCCCCCCCCCOc1nc2cc(/N=C/c3ccc(OCCCCCCCC)cc3O)ccc2[nH]1,ClC(Cl)Cl,360.0
171,C(#Cc1ncc(-c2ccccc2)o1)c1ccco1,ClCCl,325.0
8927,COc1ccc(-c2c3cc4cc(C)sc4cc3c(-c3ccc(OC)cc3)c3cc4cc(C)sc4cc23)cc1,ClCCl,500.0
197,C(=C/c1c2ccccc2cc2ccccc12)\c1ccc2ccccc2n1,CC#N,390.0
197,C(=C/c1c2ccccc2cc2ccccc12)\c1ccc2ccccc2n1,CC1CCCCC1,390.0
4913,CCCCCCc1ccc(-c2ccc(-c3ccc4c(c3)N(CC(CC)CCCC)C(=O)/C4=C3/C(=O)N(CC(CC)CCCC)c4c3cccc4-c3sc(-c4ccc(P(=O)(O)O)s4)cc3CCCCCC)s2)s1,ClC(Cl)Cl,580.0
5191,CCCCCc1c(C(=O)c2ccc3c4c(cccc24)-c2cccc4c2C3CC=C4)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,470.0
5870,CCCc1c(C(=O)c2ccc3c4c(cccc24)-c2cccc4c2C3CC=C4)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,468.0
9398,COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)c3cc(-c4ccccc4)ccc32)cc1,C1CCCCC1,305.0
2726,CCCCC(CC)Cn1c2cc(C=C(C#N)C(=O)O)c3cccc4c5cccc6c(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc1c(c65)c2c34,ClCCl,512.0
11163,Cc1ccc(C2=C3C=CC4=[N+]3[B-](F)(F)n3c2ccc3-c2ccc([nH]2)/C(c2ccc(C)cc2)=c2/cc/c(o2)=C(\c2ccc(C)cc2)c2ccc4[nH]2)cc1,ClC(Cl)Cl,703.0
6576,CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1,C1CCOC1,367.0
6576,CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1,CO,371.0
12657,N#CC(=Cc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,ClC(Cl)Cl,519.0
10397,Cc1cc(-c2ccc(C(C)(C)C)cc2)c2nsnc2c1-c1ccc(C(C)(C)C)cc1,ClCCl,376.0
7900,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3nsnc23)cc1,C1CCOC1,471.0
7902,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)c3nsnc23)cc1,C1CCOC1,471.0
7902,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)c3nsnc23)cc1,ClCCl,471.0
1020,CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3nsnc23)cc1,ClCCl,389.0
5399,CCCCN1c2ccccc2Sc2cc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3-4)ccc21,ClCCl,441.0
12138,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=c3c([nH]c4ccccc34)=[N+]21,ClCCl,546.0
3196,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c3ccccc3c(N(CCCCCCCC)CCCCCCCC)c3ccccc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(-c2ccc(C(=O)O)cc2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,694.0
11374,Cc1ccc(S(=O)(=O)/N=C/C2=Cc3c(-c4ccccc4)oc(-c4ccccc4)c3C=C(/C=N/S(=O)(=O)c3ccc(C)cc3)C2)cc1,ClC(Cl)Cl,408.0
6189,CCN(CC)c1ccc2cc(-c3ccc4ccc(N(CC)CC)cc4[o+]3)c(=O)oc2c1,ClCCl,670.0
5693,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CCC)(CCC)c3ccccc3-4)cc21,ClCCl,483.0
4864,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2CCCCCC)s1,ClC(Cl)Cl,482.0
2448,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3cc[n+](C)cc3)(Oc3ccccc3-4)[N+]2=C1C,CO,621.0
2448,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3cc[n+](C)cc3)(Oc3ccccc3-4)[N+]2=C1C,CS(C)=O,626.0
359,C(S/C=C/c1ccc(/C=C/SC=C2CCCCCCC2)cc1)=C1CCCCCCC1,ClCCl,355.0
7002,CC[P](CC)(CC)[Pt](C#Cc1cc(C#Cc2ccc(N(C)C)cc2)cc(C#Cc2ccc3c(c2)C(C)(C)c2ccccc2-3)c1)(C#Cc1sc(/C=C(/C#N)C(=O)O)c2c1OCCO2)[P](CC)(CC)CC,ClCCl,483.0
1741,CC1(C)c2cc(C=C(C#N)C(=O)O)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,402.0
2076,CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,CC#N,501.0
2076,CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,506.0
2076,CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,CO,503.0
2076,CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,509.0
2076,CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,506.0
3583,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,ClCCl,526.0
10395,Cc1cc(-c2ccc(/C=C(/C#N)C(=O)O)s2)c2nsnc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,453.0
4163,CCCCCCOc1c(OCCCCCC)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)c2nsnc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,466.0
9570,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,ClC(Cl)Cl,494.0
10400,Cc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc2c1-c1ccc(/C=C(/C#N)C(=O)O)s1,ClCCl,452.0
4483,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,C1CCOC1,514.0
4483,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,ClCCl,531.0
3470,CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(/C=C(/C#N)C(=O)O)s2)c2nsnc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,468.0
9577,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,ClC(Cl)Cl,494.0
12425,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,491.0
12663,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,491.0
11997,FP(F)(c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,401.0
15366,c1ccc2c(P(c3c4ccccc4cc4ccccc34)c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1,C1CCOC1,437.0
5879,CCCc1cc2ncnc(NC)c2c2cc(C3CCCCC3)nn12,ClCCl,324.0
2325,CCC1(CC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3OCCO4)cc21,ClC(Cl)Cl,519.0
12711,N#CC(=Cc1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)s1)C(=O)O,ClCCl,445.0
2964,CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4sc(/C=C(\C#N)C(=O)O)cc4CCCCCC)cc3sc2c2sc3cc(-c4sc(/C=C(\C#N)C(=O)O)cc4CCCCCC)ccc3c21,C1CCOC1,450.0
2958,CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,426.0
3898,CCCCCCCN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CCCCCCC)C2=C(C#N)C#N)Sc2ccccc21,C1COCCO1,709.0
3898,CCCCCCCN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CCCCCCC)C2=C(C#N)C#N)Sc2ccccc21,CCO,696.0
3898,CCCCCCCN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CCCCCCC)C2=C(C#N)C#N)Sc2ccccc21,CN(C)C=O,696.0
3898,CCCCCCCN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CCCCCCC)C2=C(C#N)C#N)Sc2ccccc21,ClC(Cl)Cl,704.0
7964,CN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3C)C2=C(C#N)C#N)Sc2ccccc21,ClC(Cl)Cl,703.0
9807,COc1ccc2cc(/C=C/C3=[O+][B-](F)(F)OC(/C=C/c4ccc5cc(OC)ccc5c4)=C3c3ccccc3)ccc2c1,ClCCl,526.0
14182,O=P1(c2ccccc2)C(c2ccc(C(F)(F)F)cc2)=Cc2cc3ccccc3cc21,ClCCl,387.0
6793,CCOC(=O)c1ccc(C2=Cc3cc4ccccc4cc3P2(=O)c2ccccc2)cc1,ClCCl,390.0
14187,O=P1(c2ccccc2)C(c2ccccc2)=Cc2cc3ccccc3cc21,ClCCl,387.0
13148,N#Cc1ccc(C2=Cc3cc4ccccc4cc3P2(=O)c2ccccc2)cc1,ClCCl,391.0
9450,COc1ccc(C2=Cc3cc4ccccc4cc3P2(=O)c2ccccc2)cc1,ClCCl,395.0
8505,COCCOCCOCCN1C(=O)C2=C(c3ccncc3)NC(=O)C2=C1c1ccncc1,ClCCl,475.0
8505,COCCOCCOCCN1C(=O)C2=C(c3ccncc3)NC(=O)C2=C1c1ccncc1,O,474.0
8504,COCCOCCOCCN1C(=O)C2=C(c3ccncc3)N(CCOCCOCCOC)C(=O)C2=C1c1ccncc1,O,462.0
8504,COCCOCCOCCN1C(=O)C2=C(c3ccncc3)N(CCOCCOCCOC)C(=O)C2=C1c1ccncc1,ClCCl,473.0
10557,Cc1cc(/C=C/c2ccc[nH]2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,586.0
10661,Cc1cc(C)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)[nH]1,CS(C)=O,612.0
10630,Cc1cc(Br)cn(Cn2cccc(C)c2=O)c1=N,CC(=O)O,310.0
95,C#Cc1ccc(C=C(C#N)C(=O)O)cc1C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,350.0
12003,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CC(C)=O,363.0
12003,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,369.0
12003,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,368.0
13741,O=C(O)c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,367.0
12750,N#CC(=Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,C1CCOC1,399.0
12750,N#CC(=Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,438.0
88,C#Cc1cc(C=C(C#N)C(=O)O)ccc1C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,424.0
4717,CCCCCCc1cc(-c2cc3c4nn(C[C@H](CC)CCCC)nc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)sc4c3s2)sc1/C=C(\C#N)C(=O)O,C1CCOC1,478.0
2755,CCCCC(CC)Cn1nc2c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc3c3sc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3c2n1,C1CCOC1,468.0
5536,CCCC[C@@H](CC)Cn1nc2c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc3c3sc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3c2n1,C1CCOC1,468.0
4713,CCCCCCc1cc(-c2cc3c4nn(CC(CC)CCCC)nc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)sc4c3s2)sc1/C=C(/C#N)C(=O)O,C1CCOC1,478.0
15274,c1ccc(N(c2ccccc2)c2ccc(-c3cnc(-c4ccncc4)s3)cc2)cc1,CO,403.0
15289,c1ccc(N(c2ccccc2)c2ccc(-n3ccc4cc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc43)cc2)cc1,ClCCl,322.0
8062,CN1c2ccccc2Sc2cc3ccccc3c(/C=C/c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)c21,C1CCOC1,443.0
4547,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4cc5c6nc(CCCCC)c(CCCCC)nc6c6cc(/C=C(\C#N)C(=O)O)sc6c5s4)c4c3OCCO4)cc2)cc1,ClC(Cl)Cl,553.0
8471,COC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(-c3ccc(N(C)C)cc3)s2)=C1C#N,C1CCOC1,465.0
8471,COC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(-c3ccc(N(C)C)cc3)s2)=C1C#N,CS(C)=O,484.0
12065,F[B-]1(F)n2c(-c3ccccc3)cc(-c3cccs3)c2N=C2C(c3cccs3)=CC(c3ccccc3)=[N+]21,ClCCl,683.0
4462,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc6)s5)c5nc6c(nc45)c4sccc4c4cc(/C=C(\C#N)C(=O)O)sc46)s3)cc2)cc1,Cc1ccccc1,629.0
1865,CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)n(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21,ClCCl,375.0
9598,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3sc(-c4ccc(C(C#N)C(=O)O)s4)c4c3OCC3(COc5c(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)sc(-c6ccc(C(C#N)C(=O)O)s6)c5OC3)CO4)cc2)cc1,CS(C)=O,405.0
5699,CCCCn1c2cc(-c3ccc(C4=[N+]5C(C=C4)C(c4ccc(/C=C(\C#N)C(=O)O)s4)c4ccc(-c6ccc(-c7ccc8c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9n(CCCC)c8c7)s6)n4[B-]5(F)F)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,754.0
5668,CCCCn1c(=O)c2cc3ccc4cccc5ccc(c2c1=O)c3c45,ClC(Cl)Cl,427.0
1514,CC(C)n1c(=O)c2cc3ccc4cccc5ccc(c2c1=O)c3c45,ClC(Cl)Cl,427.0
1318,CC(C)(C)n1c(=O)c2cc3ccc4cccc5ccc(c2c1=O)c3c45,ClC(Cl)Cl,423.0
13896,O=C1C2=C3c4sccc4C=CN3C(=O)C2=C2c3sccc3C=CN12,CN(C)C=O,605.0
13896,O=C1C2=C3c4sccc4C=CN3C(=O)C2=C2c3sccc3C=CN12,ClC(Cl)Cl,605.0
2898,CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-1,ClC(Cl)Cl,438.0
7814,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)N3CCOCC3)cc2)cc1,CS(C)=O,425.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,CCO,377.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,CS(C)=O,377.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,Cc1ccccc1,376.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,ClC(Cl)Cl,377.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,ClCCl,377.0
8292,COC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,ClCCl,378.0
7730,CN(C)c1ccc2cc3c(c(C=O)c2c1)CCC3,ClCCl,437.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,C1CCCCC1,314.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,C1CCOC1,330.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,C1COCCO1,319.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,CC#N,316.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,CCO,334.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,CS(C)=O,334.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,Cc1ccccc1,322.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,ClC(Cl)Cl,334.0
661,CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,ClCCl,334.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,C1CCCCC1,363.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,C1CCOC1,370.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,C1COCCO1,370.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,CC#N,370.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,CCO,374.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,CS(C)=O,374.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,Cc1ccccc1,368.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,ClC(Cl)Cl,373.0
662,CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2,ClCCl,372.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,C1CCCCC1,373.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,C1CCOC1,377.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,C1COCCO1,376.0
663,CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,CC#N,375.0
1999,CC1=CC(=[N+]2CCC2)C=C2C1=Nc1c(C)cc(N3CCC3)cc1[Si]2(C)C,C1COCCO1,701.0
1999,CC1=CC(=[N+]2CCC2)C=C2C1=Nc1c(C)cc(N3CCC3)cc1[Si]2(C)C,CCO,732.0
1999,CC1=CC(=[N+]2CCC2)C=C2C1=Nc1c(C)cc(N3CCC3)cc1[Si]2(C)C,O,725.0
1999,CC1=CC(=[N+]2CCC2)C=C2C1=Nc1c(C)cc(N3CCC3)cc1[Si]2(C)C,OCCO,736.0
10216,C[Si]1(C)C2=CC(=[N+]3CCC3)C=C(F)C2=Nc2c(F)cc(N3CCC3)cc21,CCO,709.0
3081,CCCCCCCCCCCCCCCCCCN1/C(=C\C=C\C=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21,CCO,570.0
10708,Cc1cc(C)c(B2c3cc(C(C)(C)C)cc4ccc5c6ccccc6c6cc(C(C)(C)C)cc2c6c5c34)c(C)c1,C1CCCCC1,424.0
1425,CC(C)[Si](C#Cc1c2nc3c(nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc4ccccc4nc12)C1c2ccccc2C3c2ccccc21)(C(C)C)C(C)C,CCCCCC,551.0
3659,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(CCc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,CCO,643.0
8031,CN1c2cc3c(cc2-c2sc4ccccc4c2C1(C)C)C(c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1c-2sc2ccccc12,CO,616.0
8032,CN1c2cc3c(cc2-c2sc4ccccc4c2C1(C)C)C(c1ccccc1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1c-2sc2ccccc12,CO,600.0
8838,COc1cc2c(cc1-c1cccs1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2cccs2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,433.0
3441,CCCCCCCCN1c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2Sc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)ccc21,CC#N,476.0
4101,CCCCCCN1c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2Sc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)ccc21,CC#N,475.0
11440,Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)Sc1ccccc1P2(=O)c1ccccc1,Cc1ccccc1,311.2466125
6163,CCN(CC)c1ccc2c(c1)oc(=O)c1c(C)nc3c(c(-c4ccccc4)nn3C)c12,ClCCl,408.0
7280,CN(C)c1cc(-c2ccc(C#Cc3cc[n+](C)cc3)cc2)cc2ccccc12,ClCCl,366.0
13237,N#Cc1nn(-c2ccccc2C(F)(F)F)nc1N1CCCC1,CC#N,326.0
13238,N#Cc1nn(-c2ccccc2Cl)nc1N1CCCC1,CC#N,324.0
13113,N#Cc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1,CC#N,362.0
13232,N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCCC1,CC#N,346.0
13230,N#Cc1nn(-c2c(Cl)cccc2Cl)nc1N1CCCC1,CC#N,317.0
13233,N#Cc1nn(-c2ccc(F)cc2)nc1N1CCCC1,CC#N,340.0
9208,COc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1,CC#N,340.0
9208,COc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1,CCCCCC,335.0
9208,COc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1,CCO,339.0
9208,COc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1,CN(C)C=O,343.0
9208,COc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1,CO,340.0
9208,COc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1,ClC(Cl)Cl,342.0
9209,COc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1OC,CC#N,344.0
13231,N#Cc1nn(-c2cc(F)cc(F)c2)nc1N1CCCC1,CC#N,350.0
9964,COc1ccccc1-n1nc(C#N)c(N2CCCC2)n1,CC#N,318.0
6841,CCOC(=O)c1nn(-c2ccc(OC)cc2)nc1N1CCCC1,CC#N,336.0
13235,N#Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCCC1,CC#N,347.0
13236,N#Cc1nn(-c2ccccc2)nc1N1CCCC1,CC#N,340.0
2566,CCCCC(CC)CN1C(=O)/C(=C2/C(=O)N(CC(CC)CCCC)C3C=C(c4ccc(/C=C(/C#N)C(=O)O)s4)C=CC23)c2ccc(-c3ccc(-c4ccc(N5c6ccccc6C=C(OC)c6ccccc65)cc4)s3)cc21,ClC(Cl)Cl,585.0
12157,Fc1c(-c2nnc(-c3ccccc3)o2)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21,Cc1ccccc1,361.0
1054,CC(C)(C)c1ccc(-c2sc(-c3ccc(C(C)(C)C)cc3)c3[nH]c(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)nc23)cc1,C1CCOC1,392.0
14927,c1ccc(-c2c3c(c(-c4ccccc4)c4cc5ccccc5cc24)Cc2c(c(-c4ccccc4)c4cc5ccccc5cc4c2-c2ccccc2)C3)cc1,CC#N,389.0
1000,CC(C)(C)c1ccc(-c2c3c(c(-c4ccc(C(C)(C)C)cc4)c4cc5ccccc5cc24)Cc2c(c(-c4ccc(C(C)(C)C)cc4)c4cc5ccccc5cc4c2-c2ccc(C(C)(C)C)cc2)C3)cc1,ClCCl,393.0
1001,CC(C)(C)c1ccc(-c2c3c(c(-c4ccccc4)c4cc5ccccc5cc24)Cc2c(c(-c4ccccc4)c4cc5ccccc5cc4c2-c2ccc(C(C)(C)C)cc2)C3)cc1,ClCCl,392.0
14927,c1ccc(-c2c3c(c(-c4ccccc4)c4cc5ccccc5cc24)Cc2c(c(-c4ccccc4)c4cc5ccccc5cc4c2-c2ccccc2)C3)cc1,CCCCCC,388.0
14927,c1ccc(-c2c3c(c(-c4ccccc4)c4cc5ccccc5cc24)Cc2c(c(-c4ccccc4)c4cc5ccccc5cc4c2-c2ccccc2)C3)cc1,CO,388.0
14927,c1ccc(-c2c3c(c(-c4ccccc4)c4cc5ccccc5cc24)Cc2c(c(-c4ccccc4)c4cc5ccccc5cc4c2-c2ccccc2)C3)cc1,Cc1ccccc1,391.0
14927,c1ccc(-c2c3c(c(-c4ccccc4)c4cc5ccccc5cc24)Cc2c(c(-c4ccccc4)c4cc5ccccc5cc4c2-c2ccccc2)C3)cc1,ClCCl,392.0
4522,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)[se]3)cc2)cc1,C1CCOC1,495.0
4522,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)[se]3)cc2)cc1,ClC(Cl)Cl,525.0
14612,Oc1cc(-c2cccs2)ccc1-c1nc2ccccc2s1,ClCCl,364.0
14124,O=Cc1ccc(-c2ccc(-c3nc4ccccc4s3)c(O)c2)s1,CCO,376.0
12842,N#CC(C#N)=Cc1ccc(-c2ccc(-c3nc4ccccc4s3)c(O)c2)s1,CCO,421.0
12842,N#CC(C#N)=Cc1ccc(-c2ccc(-c3nc4ccccc4s3)c(O)c2)s1,ClCCl,426.0
12842,N#CC(C#N)=Cc1ccc(-c2ccc(-c3nc4ccccc4s3)c(O)c2)s1,O,388.0
15062,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)n2)cc1,Cc1ccccc1,377.0
3600,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(/C=C(/C#N)C(=O)O)cc4)c4nccnc34)cc2)cc1,Cc1ccccc1,572.0
3601,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(C(=O)O)cc4)c4nccnc34)cc2)cc1,Cc1ccccc1,549.0
307,C(=C1c2ccccc2CCc2ccccc21)c1ccc(-c2cc(-c3ccc(C=C4c5ccccc5CCc5ccccc54)cc3)cc(-c3ccc(C=C4c5ccccc5CCc5ccccc54)cc3)c2)cc1,C1CCOC1,318.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,ClC(Cl)Cl,408.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,ClCCl,388.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,C1CCOC1,371.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,CC#N,380.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,CC(C)=O,381.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,CCO,326.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,CCOC(C)=O,360.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,CN(C)C=O,337.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,CO,321.0
14943,c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1,CS(C)=O,338.0
14099,O=CC1=Cc2cocc2C=C(C=O)C1,ClC(Cl)Cl,303.0
11713,Cc1oc(C)c2c1C=C(C=O)CC(C=O)=C2,ClC(Cl)Cl,334.0
15346,c1ccc2c(-c3cc(-c4nccs4)nc(-c4nccs4)c3)c3ccccc3cc2c1,CO,382.0
15346,c1ccc2c(-c3cc(-c4nccs4)nc(-c4nccs4)c3)c3ccccc3cc2c1,ClC(Cl)Cl,387.0
15346,c1ccc2c(-c3cc(-c4nccs4)nc(-c4nccs4)c3)c3ccccc3cc2c1,CC#N,385.0
15346,c1ccc2c(-c3cc(-c4nccs4)nc(-c4nccs4)c3)c3ccccc3cc2c1,CCCCCC,383.0
13522,O=C(O)/C=C/c1ccc2ccccc2c1-c1cccc2c1C(=O)/C(=C1\Sc3ccccc3C1=O)S2,C1CCOC1,486.0
12601,N#C/C(=C\c1ccc2ccccc2c1-c1cccc2c1C(=O)/C(=C1\Sc3ccccc3C1=O)S2)C(=O)O,C1CCOC1,492.0
15484,c1ccc2c3c(ccc2c1)-c1cc2ccccc2c2cccc-3c12,CCCCCCC,381.0
9022,COc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1,C1CCCCC1,305.0
14988,c1ccc(-c2ccc(-c3ccccc3)cc2)cc1,C1CCOC1,281.0
14988,c1ccc(-c2ccc(-c3ccccc3)cc2)cc1,C1COCCO1,276.0
897,CC(C)(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1,C1COCCO1,281.0
14988,c1ccc(-c2ccc(-c3ccccc3)cc2)cc1,CCO,280.0
2247,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)CC)cc3)cc2)cc1,C1COCCO1,289.0
2248,CCC(C)(C)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1,C1COCCO1,287.0
9024,COc1ccc(-c2ccc(-c3ccc(F)cc3)cc2)cc1,C1COCCO1,291.0
9026,COc1ccc(-c2ccc(-c3ccc(OC)cc3)cc2)cc1,C1CCCCC1,293.0
9027,COc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,C1CCCCC1,291.0
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,CCCCCC,372.0
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,CCCCOC(C)=O,365.0
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,CCOC(C)=O,364.5
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,CO,356.0
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,Cc1ccccc1,371.5
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,ClC(Cl)Cl,364.5
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,ClCCl,363.5
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,c1ccccc1,371.0
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,CC#N,362.6
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,CCCCCC,376.5
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,CCCCOC(C)=O,368.6
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,CCOC(C)=O,368.2
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,CO,359.6
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,Cc1ccccc1,375.2
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,ClC(Cl)Cl,369.2
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,ClCCl,366.6
10636,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(Cl)cc3)cn12,c1ccccc1,375.0
10637,Cc1cc(C(F)(F)F)nc2c1ccc1nc(-c3ccc(F)c(F)c3)cn12,CC#N,359.5
4214,CCCCCCOc1cc(OCCCCCC)c2c(c1)C(C)(C)c1cc(N(c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5C(CCCCCC)CCCCCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(OCCCCCC)cc(OCCCCCC)c3-4)ccc1-2,ClCCl,541.0
4215,CCCCCCOc1cc(OCCCCCC)c2c(c1)C(C)(C)c1cc(N(c3ccc(-c4cc5c(s4)c4sc(C=C(C#N)C(=O)O)cc4n5C(CCCCCC)CCCCCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(OCCCCCC)cc(OCCCCCC)c3-4)ccc1-2,ClCCl,541.0
10667,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2C)c(C)c1,Cc1ccccc1,387.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,C1CCOC1,512.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,CC#N,514.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,CC(C)=O,514.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,CCOC(C)=O,509.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,CN(C)C=O,521.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,CO,514.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,CS(C)=O,527.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,Cc1ccccc1,509.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,ClC(Cl)Cl,517.0
6180,CCN(CC)c1ccc2cc(-c3cc(SC)c(C#N)c(=O)o3)c(=O)oc2c1,ClCCl,520.0
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CO,494.0003656
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CS(C)=O,484.9989815
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,ClC(Cl)Cl,500.999494
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,O,466.0005965
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,c1ccncc1,498.0005279
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC#N,488.0000781
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC(C)=O,483.9989933
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC(C)O,498.999506
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC1COC(=O)O1,484.9989815
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CCO,500.0
7431,CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CN(C)C=O,484.9989815
11307,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nonc45)cc3C3CCCC32)cc1,ClCCl,501.0
11312,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)cc5)c5nonc45)cc3C3CCCC32)cc1,ClCCl,519.0
4151,CCCCCCOc1c(OC)cc(/C2=C3\C=CC(=N3)/C(C#Cc3ccc(/C=C\C(=O)O)s3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc3ccc5cccc6ccc(c2)c3c56)=C2/C=CC(=N2)/C=4c2cc(OC)c(OCCCCCC)c(OC)c2)cc1OC,ClCCl,447.0
10656,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(=O)O)c3ccccc23)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,551.0
10239,C[Si]1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C=Cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,390.0
1342,CC(C)CCCC(C)CCOc1cc(C#Cc2c3ccccc3c(C#Cc3ccc(C#Cc4cccc(C(=O)O)c4)cc3C#N)c3ccccc23)c(OCCC(C)CCCC(C)C)cc1C#Cc1cc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1,Cc1ccccc1,517.0
12831,N#CC(C#N)=C(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1,C1CCCCC1,367.6948052
12831,N#CC(C#N)=C(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1,CC(C)=O,371.4285714
12831,N#CC(C#N)=C(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1,CN(C)C=O,374.8376623
12831,N#CC(C#N)=C(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1,Cc1ccccc1,374.8376623
12831,N#CC(C#N)=C(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1,ClC(Cl)Cl,382.1428571
9602,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3sc(/C=C(/C#N)C(=O)O)c4c3OC[C@@]3(CO4)COc4c(/C=C(\C#N)C(=O)O)sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)c4OC3)cc2)cc1,CS(C)=O,437.0
4169,CCCCCCOc1c(OCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c2sc(/C=C(\C#N)C(=O)O)cc12,C1CCOC1,435.0
2968,CCCCCCCCC(CCCCCC)Cn1c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)c3cccc4c5cccc6c(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc1c(c65)c2c34,C1CCOC1,489.0
14089,O=C1c2ccccc2C2=Nc3cccc[n+]3[B-](F)(F)N12,ClCCl,361.0
2090,CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3c(C)noc3C)n1[B-]2(F)F,CO,552.0
12625,N#CC(/N=C/c1c(O)ccc2ccccc12)=C(C#N)/N=C/c1c(O)ccc2ccccc12,CC#N,520.0
4092,CCCCCCN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-c3ccc(C)cc3)ccc21,ClCCl,471.0
7532,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4)cc3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,463.0
1950,CC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,537.0
3953,CCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCC)c4ccc(-c5cc6c(OC)c7sc(C=C(C#N)C(=O)O)cc7c(OC)c6s5)cc4C3(C)C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,664.0
3954,CCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCC)c4ccc(-c5cc6c(OCC(CC)CCCC)c7sc(C=C(C#N)C(=O)O)cc7c(OCC(CC)CCCC)c6s5)cc4C3(C)C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,664.0
2371,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(-c4cccs4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,C1CCOC1,355.0
2784,CCCCC1(CCCC)c2ccccc2-c2ccc(-c3cc(/C=C(\C#N)C(=O)O)c(-c4cc5cc6c7c(c5oc4=O)C(C)(C)CCN7CCC6(C)C)s3)cc21,ClC(Cl)Cl,478.0
7050,CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(C=C3C=Cc4ccccc43)C=CC1=C2C,C1CCCCC1,591.0
5602,CCCCc1ccc(-n2c3c(c4c2c2c(n4-c4ccc(CCCC)cc4)-c4cc(F)ccc4NB2c2ccccc2)B(c2ccccc2)Nc2ccc(F)cc2-3)cc1,Cc1ccccc1,395.0
5603,CCCCc1ccc(-n2c3c(c4c2c2c(n4-c4ccc(CCCC)cc4)-c4ccc(C(F)(F)F)cc4NB2c2ccccc2)B(c2ccccc2)Nc2cc(C(F)(F)F)ccc2-3)cc1,Cc1ccccc1,402.0
4934,CCCCCCc1ccc(-n2c3c(c4c2c2c(n4-c4ccc(CCCCCC)cc4)-c4cccc(OC)c4NB2c2ccccc2)B(c2ccccc2)Nc2c(OC)cccc2-3)cc1,Cc1ccccc1,382.0
3752,CCCCCCCCc1ccc(-n2c3c(c4c2c2c(n4-c4ccc(CCCCCCCC)cc4)-c4ccccc4NB2c2ccccc2)B(c2ccccc2)Nc2ccccc2-3)cc1,Cc1ccccc1,387.0
10672,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3cc(N(C)C)c4ccccc4c3c3c2ccc2ccccc23)c(C)c1,C1CCCCC1,430.0
10672,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3cc(N(C)C)c4ccccc4c3c3c2ccc2ccccc23)c(C)c1,C1CCOC1,431.0
10672,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3cc(N(C)C)c4ccccc4c3c3c2ccc2ccccc23)c(C)c1,CC#N,429.0
10672,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3cc(N(C)C)c4ccccc4c3c3c2ccc2ccccc23)c(C)c1,ClC(Cl)Cl,431.0
10672,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3cc(N(C)C)c4ccccc4c3c3c2ccc2ccccc23)c(C)c1,c1ccccc1,433.0
10673,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2cc(N(C)C)c2ccccc23)c(C)c1,C1CCCCC1,438.0
10673,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2cc(N(C)C)c2ccccc23)c(C)c1,C1CCOC1,439.0
10673,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2cc(N(C)C)c2ccccc23)c(C)c1,CC#N,437.0
10673,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2cc(N(C)C)c2ccccc23)c(C)c1,ClC(Cl)Cl,440.0
10673,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2cc(N(C)C)c2ccccc23)c(C)c1,c1ccccc1,440.0
10674,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2ccc2ccccc23)c(C)c1,ClC(Cl)Cl,413.0
10674,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2ccc2ccccc23)c(C)c1,c1ccccc1,415.0
10674,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2ccc2ccccc23)c(C)c1,C1CCCCC1,413.0
10674,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2ccc2ccccc23)c(C)c1,C1CCOC1,413.0
10674,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc3ccc4ccccc4c3c3c2ccc2ccccc23)c(C)c1,CC#N,410.0
9104,COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C#N)cc3)n2)cc1,Cc1ccccc1,381.0
9104,COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C#N)cc3)n2)cc1,ClCCl,379.0
12264,N#C/C(=C/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CC#N,372.0
12264,N#C/C(=C/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CCO,373.0
12264,N#C/C(=C/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CN(C)C=O,376.0
12264,N#C/C(=C/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,Cc1ccccc1,377.0
12264,N#C/C(=C/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,ClCCl,375.0
9104,COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C#N)cc3)n2)cc1,CC#N,376.0
9104,COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C#N)cc3)n2)cc1,CCO,378.0
9104,COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C#N)cc3)n2)cc1,CN(C)C=O,380.0
12406,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)c4ccc([N+](=O)[O-])cc4)s3)c3c2C(=O)OC3=O)s1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,615.0
6212,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CC(C)=O,516.0
6212,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CCOC(C)=O,507.0
6212,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CN(C)C=O,528.0
6212,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CS(C)=O,536.0
6212,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,Cc1ccccc1,493.0
6212,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,ClCCl,518.0
10864,Cc1cc2ccccc2c2c1c1ccccc1n2-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,304.0
3456,CCCCCCCCOC(=O)c1ccc(-c2cc3ccc4cc(-c5ccc(C(=O)OCCCCCCCC)cc5)cc5ccc(c2)c3c45)cc1,Cc1ccccc1,404.0
4305,CCCCCCOc1ccc(-n2c3cc(C=C(C#N)C(=O)O)sc3c3sc(-c4ccc(-c5ccc6c(c5)C5CCCC5N6c5ccc(C)cc5)c5nsnc45)cc32)cc1,ClCCl,563.0
4012,CCCCCCN1C(=O)c2cccc3cc(/N=C\c4nc5ccccc5s4)cc(c23)C1=O,ClC(Cl)Cl,370.0
7589,CN(C)c1ccc(C2=Nc3scc[n+]3[B-](F)(F)O2)cc1,C1CCOC1,402.0
7589,CN(C)c1ccc(C2=Nc3scc[n+]3[B-](F)(F)O2)cc1,CC#N,402.0
7589,CN(C)c1ccc(C2=Nc3scc[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,405.0
7589,CN(C)c1ccc(C2=Nc3scc[n+]3[B-](F)(F)O2)cc1,ClCCl,407.0
11648,Cc1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,C1CCOC1,405.0
11648,Cc1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,Cc1ccccc1,407.0
11648,Cc1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,CC#N,403.0
6839,CCOC(=O)c1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,C1CCOC1,404.0
6839,CCOC(=O)c1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,CC#N,405.0
6839,CCOC(=O)c1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,Cc1ccccc1,406.0
6839,CCOC(=O)c1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,ClCCl,412.0
11648,Cc1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,ClCCl,406.0
11436,Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1,Cc1ccccc1,386.0
9664,COc1ccc(O[B-]2(Oc3ccc(OC)cc3)n3c(C)cc(C)c3C(c3ccc(I)cc3)=C3C(C)=CC(C)=[N+]32)cc1,ClC(Cl)Cl,507.0
2064,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,ClC(Cl)Cl,506.0
2065,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,505.0
2066,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(Oc1ccccc1)Oc1ccccc1,ClC(Cl)Cl,506.0
2849,CCCCCC1c2c(C)c(C)cn2[B-](F)(F)[N+]2=C(C)C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=C(C)C12,ClC(Cl)Cl,534.0
2850,CCCCCC1c2c(C)c(C=C(C#N)C(=O)O)c(C)n2[B-](F)(F)[N+]2=C(C)C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=C(C)C12,ClC(Cl)Cl,472.0
1951,CC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)=[N+]2C1C(C)c1c(C)c(/C=C(\C#N)C(=O)O)c(C)n1[B-]2(F)F,ClC(Cl)Cl,534.0
5955,CCN(CC)c1ccc(-c2nc3c(nc2-c2ccc([B-](F)(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc2)c2ccccc2n3C)cc1,C1CCOC1,414.7495362
10276,Cc1c(-c2ccc(CO)cc2)c(/C=C/c2ccc(/C=C(\C#N)C(=O)O)s2)n2ccccc12,ClCCl,573.0
394,C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/C1CCCCC1,C1CCOC1,365.0
1416,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(nc12)C1c2ccccc2C3c2ccccc21)(C(C)C)C(C)C,CCCCCC,445.0
1089,CC(C)(C)c1ccc(C2=C(c3ccc(C(C)(C)C)cc3)[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,C1CCOC1,341.0
15206,c1ccc(C2=C(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,C1CCOC1,330.0
9409,COc1ccc(C2=C(c3ccc(OC)cc3)[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,C1CCOC1,341.0
12210,Fc1ccc(C2=C(c3ccc(F)cc3)[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,C1CCOC1,330.0
12555,N#C/C(=C\c1ccc(N(c2ccc(/C=C(\C#N)c3ccc(C#N)cc3)cc2)c2ccc(/C=C(\C#N)c3ccc(C#N)cc3)cc2)cc1)c1ccc(C#N)cc1,C1CCOC1,440.0
9222,COc1ccc(/C(C#N)=C/c2ccc(N(c3ccc(/C=C(\C#N)c4ccc(OC)cc4)cc3)c3ccc(/C=C(\C#N)c4ccc(OC)cc4)cc3)cc2)cc1,C1CCOC1,419.0
83,C#CCn1c2ccccc2c2cc(/C=C/C3=[N+]4C(=C(c5ccc(I)cc5)c5c(C)c(Cl)c(/C=C/c6ccc7c(c6)c6ccccc6n7CC#C)n5[B-]4(F)F)C(C)=C3Cl)ccc21,CC#N,694.0
83,C#CCn1c2ccccc2c2cc(/C=C/C3=[N+]4C(=C(c5ccc(I)cc5)c5c(C)c(Cl)c(/C=C/c6ccc7c(c6)c6ccccc6n7CC#C)n5[B-]4(F)F)C(C)=C3Cl)ccc21,CS(C)=O,705.0
83,C#CCn1c2ccccc2c2cc(/C=C/C3=[N+]4C(=C(c5ccc(I)cc5)c5c(C)c(Cl)c(/C=C/c6ccc7c(c6)c6ccccc6n7CC#C)n5[B-]4(F)F)C(C)=C3Cl)ccc21,ClC(Cl)Cl,703.0
84,C#CCn1c2ccccc2c2cc(/C=C/C3=[N+]4C(=C(c5ccc(I)cc5)c5c(C)cc(/C=C/c6ccc7c(c6)c6ccccc6n7CC#C)n5[B-]4(F)F)C(C)=C3)ccc21,CC#N,665.0
84,C#CCn1c2ccccc2c2cc(/C=C/C3=[N+]4C(=C(c5ccc(I)cc5)c5c(C)cc(/C=C/c6ccc7c(c6)c6ccccc6n7CC#C)n5[B-]4(F)F)C(C)=C3)ccc21,CS(C)=O,678.0
84,C#CCn1c2ccccc2c2cc(/C=C/C3=[N+]4C(=C(c5ccc(I)cc5)c5c(C)cc(/C=C/c6ccc7c(c6)c6ccccc6n7CC#C)n5[B-]4(F)F)C(C)=C3)ccc21,ClC(Cl)Cl,674.0
3102,CCCCCCCCCCCCCCCc1c(-c2ccc(C=C(C#N)C(=O)O)s2)sc2c1sc1c3sc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c(CCCCCCCCCCCCCCC)c3sc21,Clc1ccccc1Cl,513.0
14240,O=S(=O)(c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1)c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,Cc1ccccc1,328.0
1580,CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21,CO,792.0
1584,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21,O,780.0
1577,CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCC(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCC(=O)O)c2ccc3ccccc3c21,CO,792.0
6730,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,ClCCl,409.0
6730,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,O,408.0
6729,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccc([N+](=O)[O-])cc1,C1COCCO1,421.0
6729,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccc([N+](=O)[O-])cc1,CCCCCC,418.0
6729,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccc([N+](=O)[O-])cc1,Cc1ccccc1,429.0
6729,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccc([N+](=O)[O-])cc1,ClC(Cl)(Cl)Cl,426.0
6730,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,C1CCOC1,408.0
6730,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,C1COCCO1,405.0
6730,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,CCCCCC,398.0
6730,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,CCOC(C)=O,404.0
6730,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,Cc1ccccc1,411.0
6730,CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1,ClC(Cl)Cl,409.0
12188,Fc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c(F)c1,ClCCl,287.0
11962,FC(F)(F)c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1,ClCCl,289.0
9021,COc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1,ClCCl,298.0
14980,c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1,ClCCl,291.0
1465,CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5Oc5ccccc54)ccc3N(c3ccccc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc32)c(C(C)C)c1,C1CCCCC1,372.7891156
8726,COc1cc(C2=c3c(c4ccc(C(C)(C)C)cc4c4c(OC)c(OC)c(OC)cc34)=[N+]3C2=Nc2c(-c4cc(OC)c(OC)c(OC)c4)c4c5cc(OC)c(OC)c(OC)c5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)cc(OC)c1OC,Cc1ccccc1,808.0
8727,COc1cc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=Nc2c(-c4cc(OC)c(OC)c(OC)c4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)cc(OC)c1OC,Cc1ccccc1,787.0
9483,COc1ccc(C2=c3c(c4ccc(OC)cc4c4c(OC)cc(OC)cc34)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c4c5cc(OC)cc(OC)c5c5cc(OC)ccc5c4n2[B-]3(F)F)cc1,Cc1ccccc1,804.0
9765,COc1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=C(c1cc(OC)c(OC)c(OC)c1)C1=Nc2c(-c4cc(OC)c(OC)c(OC)c4)c4c5ccc(C(C)(C)C)cc5c5cc(OC)ccc5c4n2[B-](F)(F)[N+]=31,Cc1ccccc1,797.0
8773,COc1cc(OC)c2c(c1)c1c(c3ccc(C(C)(C)C)cc32)=[N+]2C(=Nc3c(-c4cc(OC)c(OC)c(OC)c4)c4c5cc(OC)cc(OC)c5c5cc(C(C)(C)C)ccc5c4n3[B-]2(F)F)C=1c1cc(OC)c(OC)c(OC)c1,Cc1ccccc1,791.0
4326,CCCCCCOc1ccc(C2=c3c(c4ccc(OC)cc4c4c(OC)cc(OC)cc34)=[N+]3C2=Nc2c(-c4ccc(OCCCCCC)cc4)c4c5cc(OC)cc(OC)c5c5cc(OC)ccc5c4n2[B-]3(F)F)cc1,Cc1ccccc1,804.0
4327,CCCCCCOc1ccc(C2=c3c(c4ccc(OC)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=Nc2c(-c4ccc(OCCCCCC)cc4)c4c5ccc(C(C)(C)C)cc5c5cc(OC)ccc5c4n2[B-]3(F)F)cc1,Cc1ccccc1,790.0
4930,CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)cc1,ClCCl,372.0
4930,CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)cc1,C1CCOC1,370.0
4930,CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)cc1,CC#N,369.0
4930,CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)cc1,Cc1ccccc1,375.0
9736,COc1ccc2c(c1)c(C#N)cc1c(OC)c(OC)c3cc(C#N)c4cc(OC)ccc4c3c12,ClC(Cl)Cl,471.0
9687,COc1ccc2c(C#N)cc3ccc4cc(C#N)c5ccc(OC)cc5c4c3c2c1,ClC(Cl)Cl,422.0
9688,COc1ccc2c(C=C(C#N)C#N)cc3ccc4cc(C=C(C#N)C#N)c5ccc(OC)cc5c4c3c2c1,ClC(Cl)Cl,456.0
15464,c1ccc2c(c1)ccc1ccc3ccc4ccccc4c3c12,ClC(Cl)Cl,393.0
13069,N#Cc1cc2ccc3cc(C#N)c4ccccc4c3c2c2ccccc12,ClC(Cl)Cl,422.0
2689,CCCCC(CC)Cc1cc(C)sc1-c1nc2c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc3c3sc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3c2nc1-c1sc(C)cc1CC(CC)CCCC,C1CCOC1,396.0
2569,CCCCC(CC)CN1C(=O)/C(=C2/C(=O)N(CC(CC)CCCC)c3cc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)ccc32)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,570.0
5530,CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(C[C@H](CC)CCCC)c3cc(-c4ccc5c(c4)[C@@H]4CCC[C@@H]4N5c4ccc(C)cc4)ccc32)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,570.0
5359,CCCCn5ccc(=Cc3c([O-])c(=CC2=[N+](CCCC)c1ccc(C(=O)O)cc1C2(C)C)c3=O)c4ccccc45,CCO,742.0
14803,[O-][n+]1c(/C=C/c2ccc(/C=C/c3ccccc3)cc2)nc(N2CCOCC2)c2c1CCCC2,ClCCl,406.0
9300,COc1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3o2)cc1,CC#N,368.0
7456,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3o2)cc1,CC#N,399.0
14336,O=[N+]([O-])c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3o2)cc1,CC#N,410.0
12205,Fc1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3o2)cc1,CC#N,363.0
281,C(=C/c1nc2c3ccccc3c3ccccc3c2o1)\c1ccccc1,CC#N,364.0
7969,CN1C(=CC2=C([S-])C(=Cc3sc4ccccc4[n+]3C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,661.0
7029,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])sc2ccccc21,CO,634.0
7029,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])sc2ccccc21,ClC(Cl)Cl,649.0
7029,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])sc2ccccc21,ClCCl,650.0
7031,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccccc4C3(C)C)=C2[O-])sc2ccccc21,CO,635.0
7031,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccccc4C3(C)C)=C2[O-])sc2ccccc21,ClC(Cl)Cl,649.0
7031,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccccc4C3(C)C)=C2[O-])sc2ccccc21,ClCCl,650.0
8621,COc1c(C=Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)s2)cc1C=Cc1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,443.0
8460,COC(=O)c1oc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)nc1C,CO,561.0
13924,O=C1CC(=O)Nc2cc(Br)ccc2N1,CS(C)=O,299.0
13925,O=C1CC(=O)Nc2cc(C(=O)O)ccc2N1,CS(C)=O,304.0
13926,O=C1CC(=O)Nc2cc(Cl)ccc2N1,CS(C)=O,298.0
13927,O=C1CC(=O)Nc2cc([N+](=O)[O-])ccc2N1,CS(C)=O,312.0
13928,O=C1CC(=O)Nc2ccccc2N1,CS(C)=O,285.0
13396,Nc1ccc2c(c1)NC(=O)CC(=O)N2,CS(C)=O,318.0
11446,Cc1ccc2c(c1)NC(=O)CC(=O)N2,CS(C)=O,294.0
10835,Cc1cc2c(cc1C)NC(=O)CC(=O)N2,CS(C)=O,297.0
10837,Cc1cc2c(cc1[N+](=O)[O-])NC(=O)CC(=O)N2,CS(C)=O,311.0
5498,CCCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC#N,413.0
5498,CCCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC1CCCCC1,414.0
5498,CCCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,Cc1ccccc1,420.0
5498,CCCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,ClCCl,421.0
5850,CCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC#N,413.0
5850,CCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC1CCCCC1,414.0
5850,CCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,Cc1ccccc1,420.0
5850,CCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,ClCCl,421.0
7595,CN(C)c1ccc(C=C/C=C/C=C/c2ccc(C#N)cc2)cc1,C1CCOC1,420.0
7595,CN(C)c1ccc(C=C/C=C/C=C/c2ccc(C#N)cc2)cc1,CC#N,418.0
7595,CN(C)c1ccc(C=C/C=C/C=C/c2ccc(C#N)cc2)cc1,CCCC#N,422.0
7595,CN(C)c1ccc(C=C/C=C/C=C/c2ccc(C#N)cc2)cc1,CCCCCC,412.0
7595,CN(C)c1ccc(C=C/C=C/C=C/c2ccc(C#N)cc2)cc1,CCCCOCCCC,416.0
7595,CN(C)c1ccc(C=C/C=C/C=C/c2ccc(C#N)cc2)cc1,CCO,418.0
7595,CN(C)c1ccc(C=C/C=C/C=C/c2ccc(C#N)cc2)cc1,CCOCC,416.0
311,C(=CC=Cc1ccccc1)C=Cc1ccccc1,C1CCCCC1,372.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,C1CCOC1,407.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,C1COCCO1,406.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,CC#N,405.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,CC(C)=O,405.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,CC1CCCCC1,400.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,CCCCCC,396.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,CCOCC,399.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,CN(C)C=O,412.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,CO,401.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,Cc1ccccc1,410.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,ClC(Cl)(Cl)Cl,408.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,410.0
7405,CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1,ClCCl,410.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,ClC(Cl)Cl,421.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,ClCCl,420.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,C1CCOC1,417.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,C1COCCO1,415.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC#N,412.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC1CCCCC1,413.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CO,411.0
6897,CCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC#N,412.0
6897,CCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC1CCCCC1,414.0
6897,CCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,Cc1ccccc1,419.0
6897,CCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,ClCCl,420.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CS(C)=O,429.0
9251,COc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,Cc1ccccc1,419.0
795,CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(ccc5c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc7c8c(ccc(c2c45)c86)C(=O)N(C2CCCCC2)C7=O)C(=O)OC3=O)cc1,C1CCOC1,510.0
5656,CCCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)c21,C1CCOC1,464.0
4538,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3nc4c(-c5ccc(-c6cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s6)s5)ccc(-c5ccc(-c6cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s6)s5)c4n3CCCCCC)cc2)cc1,C1CCOC1,488.0
4539,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3nc4c(-c5ccc(-c6cc(CCCCCC)c(C=C(C#N)C(=O)O)s6)s5)ccc(-c5ccc(-c6cc(CCCCCC)c(C=C(C#N)C(=O)O)s6)s5)c4n3CCCCCC)cc2)cc1,C1CCOC1,488.0
5657,CCCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)c21,C1CCOC1,464.0
11730,ClP1(Cl)=N[P@@](Cl)(Oc2ccc3ccc4cccc5ccc2c3c45)=N[P@@](Cl)(Oc2ccc3ccc4cccc5ccc2c3c45)=N1,ClCCl,343.0
11731,ClP1(Cl)=N[P@](Cl)(Oc2ccc3ccc4cccc5ccc2c3c45)=N[P@@](Cl)(Oc2ccc3ccc4cccc5ccc2c3c45)=N1,ClCCl,343.0
14475,O=c1c2cccc3cccc(c32)c2nc3cccc4cccc(c43)n12,ClCCl,475.0
10595,Cc1cc(/C=C/c2ccoc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,549.0
11896,Cn1cc(-c2nc3ccccc3nc2C#Cc2ccc(C#N)cc2)c2ccccc21,ClCCl,418.0
11897,Cn1cc(-c2nc3ccccc3nc2C#Cc2ccccc2)c2ccccc21,ClCCl,411.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,C1CCOC1,408.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,CC#N,407.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,CC(C)=O,408.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,CC(C)O,415.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,CCO,415.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,CCOC(C)=O,405.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,CO,415.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,Cc1ccccc1,407.0
9357,COc1ccc(C#Cc2nc3ccccc3nc2-c2cn(C)c3ccccc23)cc1,ClCCl,408.0
6196,CCN(CC)c1ccc2cc(-c3nc4c5cccc6ccc7cccc(c7c65)c4n3-c3ccc(C(C)(C)C)cc3)c(=O)oc2c1,ClCCl,410.0
183,C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,330.0
3632,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,663.0
3631,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,665.0
5213,CCCCCn1c2ccccc2c2cc(N3c4ccc(-c5ccc(/C=C6/SC(=S)N(CC(=O)O)C6=O)s5)cc4[C@H]4CCC[C@H]43)ccc21,CO,518.0
8909,COc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc5ccccc5c4)c(-c4ccc5c(c4)OCO5)nc3n2C)cc1,C1CCOC1,334.0
12343,N#C/C(=C\c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)s1)C(=O)O,ClC(Cl)Cl,493.0
4393,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc(CCCCCC)c(-c4ncc(-c5sc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)cc5CCCCCC)c5nsnc45)s3)cc2)cc1,ClCCl,563.0
4503,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ncc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)c5nsnc45)s3)cc2)cc1,ClCCl,591.0
4964,CCCCCCc1ccc2c3c(ccc2c1)O[B-](c1ccccc1)(c1ccccc1)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)c1)=C3,C1CCOC1,445.0
4964,CCCCCCc1ccc2c3c(ccc2c1)O[B-](c1ccccc1)(c1ccccc1)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)c1)=C3,CC#N,440.0
4964,CCCCCCc1ccc2c3c(ccc2c1)O[B-](c1ccccc1)(c1ccccc1)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)c1)=C3,Cc1ccccc1,453.0
4964,CCCCCCc1ccc2c3c(ccc2c1)O[B-](c1ccccc1)(c1ccccc1)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)c1)=C3,ClCCl,450.0
2274,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5cccs5)n4[B-](F)(F)[n+]4c3n(c3cc(C(C)(C)C)ccc34)[B-](F)(F)[N+]2=C1c1cccs1,C1CCOC1,792.0
2274,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5cccs5)n4[B-](F)(F)[n+]4c3n(c3cc(C(C)(C)C)ccc34)[B-](F)(F)[N+]2=C1c1cccs1,ClCCl,791.0
12031,F[B-]1(F)OC(c2ccc(N3CCCCC3)cc2)=Cc2cccc[n+]21,ClC(Cl)Cl,421.0
2652,CCCCC(CC)COc1ccc(-c2cc3ccc(C=Cc4ccc(C(=O)O)cc4)c4cc(-c5ccc(OCC(CC)CCCC)cc5)c5ccc2n5c34)cc1,ClC(Cl)Cl,480.0
12756,N#CC(=Cc1ccc(C(C#N)=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,Cc1ccccc1,527.0
12756,N#CC(=Cc1ccc(C(C#N)=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,C1CCOC1,498.0
4517,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,518.0
4512,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(/C(C#N)=C/c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,564.0
11102,Cc1ccc(C(=O)c2c(C)c3ccc4cccc5c6cccc7ccc2c(c76)c3c45)cc1,ClCCl,391.0
10306,Cc1c(C(=O)c2ccccc2Cl)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,390.0
10301,Cc1c(C(=O)c2c(F)cc(F)cc2F)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,390.0
10302,Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,370.0
10305,Cc1c(C(=O)c2ccccc2)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,391.0
9383,COc1ccc(C(=O)c2c(C)c3ccc4cccc5c6cccc7ccc2c(c76)c3c45)cc1,ClCCl,391.0
8715,COc1cc(C(=O)c2c(C)c3ccc4cccc5c6cccc7ccc2c(c76)c3c45)cc(OC)c1OC,ClCCl,391.0
14837,c1cc(-c2nc3sc(-c4cc[nH+]cc4)nc3s2)cc[nH+]1,O,368.0
3718,CCCCCCCC[n+]1ccc(-c2nc3sc(-c4cc[n+](CCCCCCCC)cc4)nc3s2)cc1,O,390.0
10257,C[n+]1ccc(-c2nc3sc(-c4cc[n+](C)cc4)nc3s2)cc1,O,390.0
3176,CCCCCCCCCCCCOc1ccc(-c2nc3c(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)cnc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c3nc2-c2ccc(OCCCCCCCCCCCC)cc2)cc1,ClCCl,562.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,O,329.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,c1ccccc1,321.0
8804,COc1cc2[nH]c3c(c2cc1OC)CCCC3=O,C1COCCO1,333.9618857
8804,COc1cc2[nH]c3c(c2cc1OC)CCCC3=O,CC#N,333.4002006
8804,COc1cc2[nH]c3c(c2cc1OC)CCCC3=O,CCO,337.0912738
8804,COc1cc2[nH]c3c(c2cc1OC)CCCC3=O,CO,338.2146439
8804,COc1cc2[nH]c3c(c2cc1OC)CCCC3=O,CS(C)=O,338.6158475
8804,COc1cc2[nH]c3c(c2cc1OC)CCCC3=O,ClCCl,338.0541625
8804,COc1cc2[nH]c3c(c2cc1OC)CCCC3=O,c1ccccc1,335.7271815
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,C1CCOC1,320.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,C1COCCO1,317.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CC#N,317.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCCCCCCCCCO,327.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCCCCCCCO,329.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCCCCCO,329.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCCCO,329.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCO,329.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCOC(C)=O,317.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CN(C)C=O,317.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CO,326.0
8775,COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CS(C)=O,320.0
6545,CCOC(=O)C1(O)c2cc3ccc4cccc5ccc(c2C(=O)N1C(C)(C)C)c3c45,ClC(Cl)Cl,385.0
796,CC(C)(C)N1C(=O)c2c(cc3ccc4cccc5ccc2c3c45)C1O,ClC(Cl)Cl,385.0
14613,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2[nH]1,CS(C)=O,399.0
14613,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2[nH]1,Cc1ccccc1,400.0
14613,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2[nH]1,ClCCl,400.0
14613,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2[nH]1,C1CCOC1,398.0
14613,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2[nH]1,CC#N,395.0
14613,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2[nH]1,CCCCCC,397.0
14613,Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc3c2[nH]1,CO,395.0
4965,CCCCCCc1ccc2c3c(ccc2c1)O[B-](c1ccccc1)(c1ccccc1)[N+](c1ccc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)cc1)=C3,CC#N,452.0
4965,CCCCCCc1ccc2c3c(ccc2c1)O[B-](c1ccccc1)(c1ccccc1)[N+](c1ccc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)cc1)=C3,Cc1ccccc1,462.0
4965,CCCCCCc1ccc2c3c(ccc2c1)O[B-](c1ccccc1)(c1ccccc1)[N+](c1ccc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)cc1)=C3,ClCCl,459.0
4965,CCCCCCc1ccc2c3c(ccc2c1)O[B-](c1ccccc1)(c1ccccc1)[N+](c1ccc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(c2ccccc2)c2ccccc2)cc1)=C3,C1CCOC1,455.0
14295,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1,CS(C)=O,396.0
14295,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1,ClC(Cl)Cl,386.0
14295,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1,ClCCl,388.0
14989,c1ccc(-c2ccc(-c3ccccc3)s2)cc1,C1CCOC1,341.0
14295,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1,C1CCOC1,387.0
14295,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1,CN(C)C=O,393.0
798,CC(C)(C)NC(=O)C(OC(=O)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1)c1ccc(Br)cc1,C1CCOC1,505.0
799,CC(C)(C)NC(=O)C(OC(=O)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1)c1ccc(C(F)(F)F)cc1,C1CCOC1,504.5
800,CC(C)(C)NC(=O)C(OC(=O)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,504.5
801,CC(C)(C)NC(=O)C(OC(=O)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1)c1ccccc1,C1CCOC1,504.5
3857,CCCCCCCCn1c2ccccc2c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(/C=C(\C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)cc21,ClC(Cl)Cl,530.0
3858,CCCCCCCCn1c2ccccc2c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)cc21,ClC(Cl)Cl,530.0
3503,CCCCCCCCOc1ccc(-c2c3c4n(c(-c5ccc(OCCCCCCCC)cc5)c3c3n2[B-](F)(F)[n+]2c(ccc5cc(C(C)(C)C)ccc52)C=3C#N)[B-](F)(F)[n+]2c(ccc3cc(C(C)(C)C)ccc32)C=4C#N)cc1,ClC(Cl)Cl,754.0
14947,c1ccc(-c2cc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccccc4N(c4ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc4)c4ccccc45)cc3)nc(-c3ccccc3)n2)cc1,Cc1ccccc1,382.0334262
15067,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)n2)cc1,Cc1ccccc1,374.0
12177,Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c3c(ccc21)C1(c2ccccc2-c2ccccc21)c1ccccc1-3,Cc1ccccc1,370.0
1257,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc(/C=C(\C#N)c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)ccc2c1,ClCCl,470.0
1258,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc(/C=C(\C#N)c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)ccc2c1,ClCCl,470.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,Clc1ccccc1,357.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,C1CCCCC1,347.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,CC#N,356.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,CC(C)O,368.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,CCC(C)=O,356.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,CCO,369.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,CCOC(C)=O,353.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,CS(C)=O,363.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,Cc1ccccc1,353.0
7717,CN(C)c1ccc2c3c(ccc2c1)C(=O)CCC3,ClCCl,358.0
12838,N#CC(C#N)=CC(c1ccc(N(c2ccccc2)c2ccccc2)cc1)=c1ccc(=C(C#N)C#N)cc1,ClCCl,750.0
1894,CC1(C)c2ccccc2N(c2ccc3c(c2)Oc2ccccc2P3(=O)c2ccccc2)c2ccccc21,Cc1ccccc1,348.0
3525,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)c3ccc(-c4ncc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3)cc2)c(OCCCCCCCC)c1,ClCCl,541.0
6358,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,CC(C)(C)O,526.0
6358,CCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,548.0
6383,CCN1C(=O)C(=c2sc(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,ClCCl,664.0
3379,CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,C1CCOC1,532.0
3379,CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,554.0
3384,CCCCCCCCN1C(=O)C(=c2sc(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,552.0
2439,CCC1=C(C)C2=C(c3ccc(-c4ccc(N(c5ccc(-c6ccc(C(=O)O)cc6)cc5)c5ccc(-c6ccc(C7=C8C(C)=C(CC)C(C)=[N+]8[B-](F)(F)n8c(C)c(CC)c(C)c87)s6)cc5)cc4)s3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,540.0
13206,N#Cc1cnc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)nc1,CCO,390.0
13206,N#Cc1cnc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)nc1,ClCCl,394.0
14940,c1ccc(-c2c3ccccc3c(-c3ncccn3)c3ccccc23)cc1,CCO,390.0
14940,c1ccc(-c2c3ccccc3c(-c3ncccn3)c3ccccc23)cc1,ClCCl,393.0
2249,CCC(C)(C)c1ccc(-c2ccc3c(c2)C(CCOC)(CCOC)c2cc(C(C)(C)CC)ccc2-3)cc1,C1CCCCC1,318.0
2526,CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(OC)cc3)cc21,C1CCCCC1,315.0
2525,CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(C(C)(C)C)cc3)cc21,C1CCCCC1,314.0
7225,CCn1c2ccccc2c2cc(N3c4ccccc4Sc4cc(/C=C(\C#N)C(=O)O)ccc43)ccc21,ClCCl,471.0
5767,CCCCn1c2ccccc2c2cc(N3c4ccccc4Sc4cc(/C=C(\C#N)C(=O)O)ccc43)ccc21,ClCCl,478.0
3851,CCCCCCCCn1c2ccccc2c2cc(N3c4ccccc4Sc4cc(/C=C(\C#N)C(=O)O)ccc43)ccc21,ClCCl,480.0
7224,CCn1c2ccccc2c2cc(N3c4ccccc4Sc4cc(/C=C(/C#N)C(=O)O)ccc43)ccc21,ClCCl,471.0
5219,CCCCN(CCCC)c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(N(CCCC)CCCC)cc4)cc3)cc2)cc1,CS(C)=O,412.9
5219,CCCCN(CCCC)c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(N(CCCC)CCCC)cc4)cc3)cc2)cc1,Cc1ccccc1,399.3
11733,Clc1cc(Cl)c([C](c2c(Cl)cc(Cl)cc2Cl)c2c(Cl)cc(-n3c4ccccc4c4ccccc43)cc2Cl)c(Cl)c1,ClC(Cl)Cl,598.0
977,CC(C)(C)c1cc2cc(N(c3ccccc3)c3ccccc3)c3cc(C(C)(C)C)cc4cc(N(c5ccccc5)c5ccccc5)c(c1)c2c43,CCCCCC,398.0
2299,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,ClCCl,374.0
13579,O=C(O)CCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCCC(=O)O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1,CS(C)=O,630.0
894,CC(C)(C)c1cc(-c2c3nc(cc4[nH]c(cc4/C=C/C(=O)O)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(cc5[nH]c2cc5C=CC(=O)O)C(C=CC(=O)O)=C4)C(/C=C/C(=O)O)=C3)cc(C(C)(C)C)c1,CCO,450.0
8961,COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OCC(=O)O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1OCC(=O)O,CS(C)=O,633.0
13653,O=C(O)COc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCC(=O)O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1,CS(C)=O,630.0
8964,COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OCCCC(=O)O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1OCCCC(=O)O,CS(C)=O,634.0
13730,O=C(O)c1ccc(/N=C/C=C(\Cl)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1O,CC#N,369.0
4178,CCCCCCOc1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c(OCCCCCC)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc12,C1CCOC1,477.0
4859,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,C1COCCO1,450.0
4859,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,CC#N,425.0
4859,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,CC(C)=O,425.0
4859,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,CN(C)C=O,425.0
4859,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,CO,425.0
4859,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,Cc1ccccc1,450.0
4682,CCCCCCc1c(-c2ccc(/C=C(\C#N)C(=O)O)s2)sc(-c2ccc(-c3cc4sc5ccsc5c4s3)s2)c1CCCCCC,C1CCOC1,429.0
4859,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,C1CCOC1,426.0
3015,CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2sc(-c4ccc(/C=C5\SC(=S)N(CC)C5=O)c5nsnc45)cc21)C(CCCCCCCC)(CCCCCCCC)c1cc(-c2ccc(/C=C4\SC(=S)N(CC)C4=O)c4nsnc24)sc1-3,ClC(Cl)Cl,652.0
12345,N#C/C(=C\c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(-c2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClCCl,494.0
921,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,627.0
921,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,CCO,627.0
3177,CCCCCCCCCCCCOc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(N(CCCCCCCCCCCC)CCCCCCCCCCCC)cc2)=C2/C=CC(=N2)/C=4c2ccc(OCCCCCCCCCCCC)cc2)cc1,ClCCl,640.0
9453,COc1ccc(C2=Cc3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1,ClCCl,350.0
403,C1=C(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc21,ClCCl,338.0
11984,FC(F)(F)c1ccc(C2=Cc3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1,ClCCl,336.0
12990,N#Cc1c(N2CCCC2)cc(-c2ccccc2)c2c1C(=O)c1ccccc1-2,C1CCOC1,358.0
9558,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c(C)c4n(c3C)[B-](F)(F)[N+]3=C(C)C(c5cc6sc(C=C(C#N)C(=O)O)cc6s5)=C(C)C3=C4C)cc2)cc1,ClC(Cl)Cl,541.0
12507,N#C/C(=C\c1ccc(/C=C/c2c(N(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1)C(=O)O,CCO,404.0
1235,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7)c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7)cc6)s5)c5nsnc45)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,528.0
12109,F[B-]1(F)n2c(ccc2-c2cccs2)C(C(F)(F)F)=C2C=CC(c3cccs3)=[N+]21,CCCCCC,665.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,ClC(Cl)Cl,404.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,ClCCl,405.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,C1CCCCC1,403.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,C1CCOC1,405.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,C1COCCO1,405.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,CC#N,405.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,CC(C)=O,406.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,CCOC(C)=O,404.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,CCOCC,404.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,CN(C)C=O,407.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,CO,402.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,CS(C)=O,408.0
15220,c1ccc(C2CCN3COc4c5ccccc5c5c6c7c(c2c3c46)C(c2ccccc2)CCN7CO5)cc1,Cc1ccccc1,406.0
347,C(C#Cc1ccc2ccc3cccc4ccc1c2c34)#Cc1cccc2ccccc12,CC#N,407.0
347,C(C#Cc1ccc2ccc3cccc4ccc1c2c34)#Cc1cccc2ccccc12,CO,406.0
347,C(C#Cc1ccc2ccc3cccc4ccc1c2c34)#Cc1cccc2ccccc12,ClCCl,412.0
347,C(C#Cc1ccc2ccc3cccc4ccc1c2c34)#Cc1cccc2ccccc12,C1CCCCC1,409.0
10125,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCOCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,624.0
10125,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCOCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,CCO,610.0
4024,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2Sc2cc(-c3ccc(OC)cc3)ccc21,C1CCOC1,406.0
5372,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,C1CCOC1,372.0
5372,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,CC#N,365.0
5372,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,CC(C)=O,365.0
5372,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,CCCCCC,358.0
5372,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,CS(C)=O,376.0
5372,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,Cc1ccccc1,367.0
4269,CCCCCCOc1ccc(-c2ccc(N(c3ccc(/C=c4\s/c(=C(\C#N)C(=O)O)nc4-c4ccccc4)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,628.0
5774,CCCCn1c2ccccc2c2ccc3c4cc(-c5ccccc5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,330.0
5770,CCCCn1c2ccccc2c2ccc3c4cc(-c5ccc(C(F)(F)F)cc5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,326.0
5771,CCCCn1c2ccccc2c2ccc3c4cc(-c5ccc(OC)cc5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,333.0
5773,CCCCn1c2ccccc2c2ccc3c4cc(-c5cccc(F)c5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,328.0
4610,CCCCCCOc1ccc(N2c3ccccc3Sc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)ccc32)cc1,ClCCl,484.0
7963,CN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3C)C2=C(C#N)C#N)C(C)(C)c2ccccc21,ClC(Cl)Cl,691.0
3181,CCCCCCCCCCCCOc1ccc(C#CC(C#Cc2ccc(OCCCCCCCCCCCC)cc2)=Cc2cc(C=C(C#Cc3ccc(OCCCCCCCCCCCC)cc3)C#Cc3ccc(OCCCCCCCCCCCC)cc3)cc(C=C(C#Cc3ccc(OCCCCCCCCCCCC)cc3)C#Cc3ccc(OCCCCCCCCCCCC)cc3)c2)cc1,CCOC(C)=O,347.0
12110,F[B-]1(F)n2c(ccc2-c2cccs2)C(c2ccc(Br)cc2)=C2C=CC(c3cccs3)=[N+]21,ClC(Cl)Cl,622.0
14909,c1cc2oc3cccc4oc5cccc6oc(c1)c2[c+](c34)c65,CC#N,481.0
12134,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(c3ccc(OC4=[N+]5C(=C(c6ccccc6)c6cc(Br)c(Br)n6[B-]5(F)F)C=C4Br)cc3)=[N+]21,ClC(Cl)Cl,562.0
4502,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4nc5c6cc(-c7ccc(/C=C(\C#N)C(=O)O)s7)sc6c6sc(-c7ccc(/C=C(\C#N)C(=O)O)s7)cc6c5n4CCCCCC)s3)cc2)cc1,C1CCOC1,460.0
12734,N#CC(=Cc1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3c2OCCO3)cc1F)C(=O)O,C1CCOC1,442.0
8662,COc1cc(-c2sc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3c2OCCO3)ccc1C=C(C#N)C(=O)O,C1CCOC1,460.0
12731,N#CC(=Cc1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3c2OCCO3)cc1)C(=O)O,C1CCOC1,456.0
12732,N#CC(=Cc1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3c2OCCO3)cc1C#N)C(=O)O,C1CCOC1,458.0
12733,N#CC(=Cc1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3c2OCCO3)cc1C(F)(F)F)C(=O)O,C1CCOC1,458.0
6632,CCOC(=O)CSc1nc(C)c(C)c(C#N)c1C#N,c1ccccc1,358.0
6633,CCOC(=O)CSc1nc(C)c(CC)c(C#N)c1C#N,c1ccccc1,357.0
8398,COC(=O)c1cccc(N)n1,CS(C)=O,326.0
15525,c1ccncc1,ClC(Cl)Cl,253.0
15525,c1ccncc1,CC1CCCCC1,252.0
15525,c1ccncc1,Cc1ccccc1,296.0
15525,c1ccncc1,O,253.0
8445,COC(=O)c1ccnc(N)c1,CS(C)=O,342.0
4461,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc6)s5)c5nc(C(=O)O)c(C(=O)O)nc45)s3)cc2)cc1,ClCCl,590.0
3785,CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/c(=C\c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)sc(=O)n2CC(=O)O)c1=O,ClC(Cl)Cl,567.0
3786,CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/c(=C\c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)s3)sc(=O)n2CC(=O)O)c1=O,ClC(Cl)Cl,565.0
3787,CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/c(=C\c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)s3)sc(=O)n2CCCCCCCC)c1=O,ClC(Cl)Cl,557.0
3788,CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/c(=C\c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)s3)sc(=O)n2CC(=O)O)c1=O,ClC(Cl)Cl,568.0
3789,CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/c(=C\c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc5c(c4)Cc4ccccc4-5)s3)sc(=O)n2CC(=O)O)c1=O,ClC(Cl)Cl,566.0
2796,CCCCC1(CCCC)c2ccccc2-c2ccc(N3c4ccc(-c5ccc(/C=c6/sc(=O)n(CC(=O)O)/c6=c6\sc(=C(C#N)C#N)n(CCCCCCCC(=O)O)c6=O)s5)cc4C4CCCC43)cc21,ClC(Cl)Cl,566.0
13864,O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,Cc1ccccc1,359.0
13864,O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,ClCCl,359.2342342
13864,O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,353.1531532
13864,O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,CCCCCC,354.954955
1229,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=O)c2ccncc2)cc1,C1CCOC1,367.3249551
1229,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=O)c2ccncc2)cc1,CCCCCC,372.1723519
1229,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=O)c2ccncc2)cc1,Cc1ccccc1,373.6641221
1229,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=O)c2ccncc2)cc1,ClCCl,377.9174147
5028,CCCCCCn1c2c(c3cc(-c4ccc(/C=c5\sc(=C(C#N)C#N)[nH]c5=O)s4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,498.0
4089,CCCCCCN1c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21,ClCCl,476.0
12115,F[B-]1(F)n2c(ccc2-n2cccn2)C(c2cccs2)=C2C=CC(n3cccn3)=[N+]21,ClCCl,571.0
6127,CCN(CC)c1ccc2c(c1)O/C(=C/C=C1/C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)O)C1=O)C=C2c1cc(S(=O)(=O)O)c(OC)cc1C,CCO,626.0
6129,CCN(CC)c1ccc2c(c1)O/C(=C/C=C1/C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)[O-])C1=O)C=C2c1cc(S(=O)(=O)O)c(OC)cc1C,CCO,626.0
6130,CCN(CC)c1ccc2c(c1)O/C(=C/C=C1/C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)[O-])C1=O)C=C2c1cc(S(=O)(=O)[O-])c(OC)cc1C,CCO,626.0
14339,O=[N+]([O-])c1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc([N+](=O)[O-])cc4)s3)s2)cc1,Cc1ccccc1,413.0
14339,O=[N+]([O-])c1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc([N+](=O)[O-])cc4)s3)s2)cc1,ClC(Cl)Cl,412.0
14339,O=[N+]([O-])c1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc([N+](=O)[O-])cc4)s3)s2)cc1,ClCCl,420.0
14339,O=[N+]([O-])c1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc([N+](=O)[O-])cc4)s3)s2)cc1,C1CCOC1,411.0
2792,CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4ccsc4c4sc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc43)cc21,C1CCOC1,487.0
14855,c1cc2c3c(cccc3c1)-c1c-2c2c3ccccc3c3ccc4c5c6c(c7c8ccccc8c8ccc9c%10c%11c(c%12c%13ccccc%13c%13ccc%14c1c1c2c3c4c2c1c1c%14c%13c%12c%10c1c1c9c8c7c5c21)-c1cccc2cccc-%11c12)-c1cccc2cccc-6c12,C1CCOC1,475.0
1517,CC(C)n1nc(C#CC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,O,482.0
1517,CC(C)n1nc(C#CC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,CC#N,424.0
1517,CC(C)n1nc(C#CC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,Cc1ccccc1,422.0
15296,c1ccc(N(c2ccccc2)c2ccc3c(c2)[nH]c2cc(-c4ccncc4)ccc23)cc1,C1COCCO1,372.0
5704,CCCCn1c2cc(-c3ccncc3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,375.0
13553,O=C(O)CCCCCCn1c2cc(-c3ccncc3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,375.0
520,C=CCNc1ccc2ccc3oc4cc(=[N+]5CCCC5)ccc-4nc3c2c1,CCO,570.0
520,C=CCNc1ccc2ccc3oc4cc(=[N+]5CCCC5)ccc-4nc3c2c1,ClCCl,588.0
520,C=CCNc1ccc2ccc3oc4cc(=[N+]5CCCC5)ccc-4nc3c2c1,O,556.0
520,C=CCNc1ccc2ccc3oc4cc(=[N+]5CCCC5)ccc-4nc3c2c1,CC#N,576.0
12877,N#CC(C#N)=c1[nH]c(=O)/c(=C/c2ccc(N(c3ccccc3)c3ccc(/C=c4\sc(=C(C#N)C#N)[nH]c4=O)cc3)cc2)s1,CCO,455.0
650,CC(=O)[B-]1(C(C)=O)OC(c2ccc3ccccc3c2)=CC(c2ccc3ccccc3c2)=[O+]1,ClC(Cl)(Cl)Cl,415.0
650,CC(=O)[B-]1(C(C)=O)OC(c2ccc3ccccc3c2)=CC(c2ccc3ccccc3c2)=[O+]1,CC#N,420.0
12033,F[B-]1(F)OC(c2ccc3ccccc3c2)=CC(c2ccc3ccccc3c2)=[O+]1,ClC(Cl)(Cl)Cl,412.0
12033,F[B-]1(F)OC(c2ccc3ccccc3c2)=CC(c2ccc3ccccc3c2)=[O+]1,CC#N,419.0
5152,CCCCCCn1cc(C=C2C(=O)NC(=O)NC2=O)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,ClC(Cl)Cl,440.0
12819,N#CC(=Cc1sc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c1OCCO2)C(=O)O,ClC(Cl)Cl,511.0
11256,Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3sc(C=C(C#N)C(=O)O)c4c3OCCO4)cc2)cc1,CN(C)C=O,460.0
7482,CN(C)c1ccc(C#C/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc4c5ccc6c7ccc8c9c(ccc(c%10ccc(c%11c4n3[Ni]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC%11=N2)c5c%106)c97)C(=O)OC8=O)cc1,ClC(Cl)Cl,847.0
819,CC(C)(C)NC(=O)c1ccc(-c2cc3ccccc3s2)c2ccc3c4ccccc4c4ccccc4c3c12,ClCCl,350.0
12641,N#CC(=Cc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,C1CCOC1,430.0
14517,O=c1ccc2cc3ccoc3cc2o1,CC(C)O,298.0
14517,O=c1ccc2cc3ccoc3cc2o1,CCO,299.0
14517,O=c1ccc2cc3ccoc3cc2o1,CCOCC,294.0
14517,O=c1ccc2cc3ccoc3cc2o1,CO,300.0
14517,O=c1ccc2cc3ccoc3cc2o1,O,303.0
7064,CCc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,C1CCOC1,343.0
7064,CCc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,CN(C)C=O,344.0
7064,CCc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,Cc1ccccc1,354.0
7064,CCc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,ClC(Cl)Cl,344.0
7349,CN(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,C1CCOC1,345.0
7349,CN(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,CN(C)C=O,348.0
7349,CN(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,Cc1ccccc1,353.0
7349,CN(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,ClC(Cl)Cl,348.0
12428,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2nc(-c3ccccc3)c(-c3ccccc3)nc12)C(=O)O,CN(C)C=O,483.0
4755,CCCCCCc1cc(-c2ccc(/C=C(\C#N)C(=O)O)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,466.0
4769,CCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)s1,ClCCl,522.0
3249,CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)s1,ClCCl,526.0
2732,CCCCC(CC)Cn1c2ccc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc(/C=C(/C#N)C(=O)O)o5)ccc3-4)cc2c2ccc3ccccc3c21,C1CCOC1,436.0
14249,O=S(=O)(c1ccccc1)c1ccc(-c2ccc3c4ccc(-c5ccc(S(=O)(=O)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1,CN(C)C=O,341.0
14249,O=S(=O)(c1ccccc1)c1ccc(-c2ccc3c4ccc(-c5ccc(S(=O)(=O)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1,CO,336.0
14249,O=S(=O)(c1ccccc1)c1ccc(-c2ccc3c4ccc(-c5ccc(S(=O)(=O)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1,Cc1ccccc1,338.0
14249,O=S(=O)(c1ccccc1)c1ccc(-c2ccc3c4ccc(-c5ccc(S(=O)(=O)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1,ClCCl,339.0
14249,O=S(=O)(c1ccccc1)c1ccc(-c2ccc3c4ccc(-c5ccc(S(=O)(=O)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1,CCCCCC,334.0
11873,Cn1c2ccccc2c2c(-c3ccc(C(F)(F)F)cc3)c3oc4ccccc4c3cc21,CCO,331.0
9739,COc1ccc2c(c1)c1c(-c3ccccc3)c3oc4ccccc4c3cc1n2C,CCO,336.0
8396,COC(=O)c1ccc2oc3c(-c4ccccc4)c4c5ccccc5n(C)c4cc3c2c1,CCO,330.0
11874,Cn1c2ccccc2c2c(-c3ccc(Cl)cc3)c3oc4ccccc4c3cc21,CCO,331.0
11876,Cn1c2ccccc2c2c(-c3ccc(O)cc3)c3oc4ccccc4c3cc21,CCO,330.0
11877,Cn1c2ccccc2c2c(-c3ccc([N+](=O)[O-])cc3)c3oc4ccccc4c3cc21,CCO,315.0
11879,Cn1c2ccccc2c2c(-c3cccc(Br)c3)c3oc4ccccc4c3cc21,CCO,331.0
11880,Cn1c2ccccc2c2c(-c3ccccc3)c3oc4ccc(Cl)cc4c3cc21,CCO,334.0
11881,Cn1c2ccccc2c2c(-c3ccccc3Br)c3oc4ccccc4c3cc21,CCO,331.0
9881,COc1cccc(-c2c3oc4ccccc4c3cc3c2c2ccccc2n3C)c1,CCO,330.0
11866,Cn1c2ccc(Br)cc2c2c(-c3ccccc3)c3oc4ccccc4c3cc21,CCO,333.0
11867,Cn1c2ccc(C#N)cc2c2c(-c3ccccc3)c3oc4ccccc4c3cc21,CCO,330.0
9757,COc1ccc2c(c1)oc1c(-c3ccccc3)c3c4ccccc4n(C)c3cc12,CCO,337.0
293,C(=C/c1nc2ccccc2s1)\c1ccc(Cn2cc(COc3cc(Cn4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7cn(Cc8cc(OCc9cn(Cc%10ccc(/C=C/c%11nc%12ccccc%12s%11)cc%10)nn9)cc(OCc9cnnn9Cc9ccc(/C=C/c%10nc%11ccccc%11s%10)cc9)c8)nn7)cc6)cc5)nn4)cc(OCc4cnnn4Cc4ccc(/C=C/c5nc6ccccc6s5)cc4)c3)nn2)cc1,CN(C)C=O,346.0
769,CC(C)(C)C1=CC(=Cc2ccc(C=C(C#N)C(=O)O)o2)C=C(C(C)(C)C)O1,ClC(Cl)Cl,538.0
12378,N#C/C(=C\c1ccc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)s1)C(=O)O,ClCCl,380.5
6104,CCN(CC)c1ccc2c(C(C)(C)C)cc(/C=C/C=C/C=C3/N(CCCCCC(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)[o+]c2c1,CCO,783.0
6105,CCN(CC)c1ccc2c(C(C)(C)C)cc(/C=C/C=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,784.0
6302,CCN(CCCS(=O)(=O)[O-])c1ccc2c(C(C)(C)C)cc(/C=C/C=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,785.0
8791,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,C1CCOC1,695.0
8791,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,CS(C)=O,712.0
8791,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,ClCCl,690.0
8792,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4c[nH]c5ccccc45)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccccc45)c(I)c(C)c32)c1,C1CCOC1,715.0
8792,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4c[nH]c5ccccc45)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccccc45)c(I)c(C)c32)c1,CS(C)=O,727.0
8792,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4c[nH]c5ccccc45)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccccc45)c(I)c(C)c32)c1,ClCCl,702.0
1707,CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCCCC1,504.0
1707,CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCOC1,486.0
1707,CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,CC(C)=O,479.0
1707,CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,CS(C)=O,487.0
1707,CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,Cc1ccccc1,504.0
1707,CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClC(Cl)Cl,523.0
1707,CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClCCl,509.0
12551,N#C/C(=C\c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)C(=O)O,ClC(Cl)Cl,458.0
10005,COc1nc(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)s2)sc1-c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,C1CCOC1,490.0
10924,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc(s4)c(-c4ccco4)c4nc(c(-c5ccc(C)cc5)c5ccc2s5)C=C4)C=C3)cc1,ClCCl,442.0
1197,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)cc1,ClC(Cl)Cl,468.0
4927,CCCCCCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(CCCCCC)s4)ccc2n3-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(/C=C(\C#N)c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)ccc2-3)s1,ClCCl,476.0
4928,CCCCCCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(CCCCCC)s4)ccc2n3-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(/C=C(\C#N)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)s1,ClCCl,476.2
4131,CCCCCCN1c2ccccc2Sc2cc(-c3ccc4c(c3)Sc3cc(/C=C(\C#N)C(=O)O)ccc3N4CCCCCC)ccc21,ClCCl,477.0
1333,CC(C)C1=c2c(c3[nH]cc(C(C)C)c3c3ccccc23)=[N+]2C1=Cc1c(C(C)C)c3c4ccccc4c4c(C(C)C)c[nH]c4c3n1[B-]2(F)F,ClC(Cl)Cl,727.0
5798,CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21,CS(C)=O,643.0
5798,CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21,O,631.0
5798,CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21,CO,634.0
2362,CCC1(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2C2C=CC(c3ccc(/C=C(\C#N)C(=O)O)s3)=CC21,CC(C)=O,406.0
11339,Cc1ccc(N2c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3C3CCCC32)cc1,ClCCl,465.0
6517,CCOC(=O)/C(C)=C/C1=C(c2ccc(C)cc2)C2=Nc3c(-c4ccc(C)cc4)c(-c4ccc(OC)cc4)c(-c4ccc(C)cc4)n3[B-](F)(F)[N+]2=C1c1ccc(C)cc1,ClC(Cl)Cl,670.0
6519,CCOC(=O)/C=C/C1=C(c2ccc(C)cc2)C2=Nc3c(-c4ccc(C)cc4)c(-c4ccc(OC)cc4)c(-c4ccc(C)cc4)n3[B-](F)(F)[N+]2=C1c1ccc(C)cc1,ClC(Cl)Cl,673.0
6430,CCN1c2cc3c(cc2C(C)=CC1(C)C)C=c1cc2c(cc1C3(C)C)=[N+](CC)C(C)(C)C=C2C,CCO,664.0
6438,CCN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc21,CN(C)C=O,489.0
6447,CCN1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(C=C3SC(=S)N(CC(=O)O)C3=O)ccc21,CN(C)C=O,489.0
5545,CCCC[C@H](CC)CN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)ccc21,ClCCl,484.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,CC#N,340.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,CC(=O)N(C)C,343.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,CCCCCCCCCCO,345.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,CCCCCCCCO,345.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,CCCCCCO,343.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,CCCCO,341.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,CCO,345.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,CS(C)=O,344.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,Cc1ccccc1,347.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,ClC(Cl)Cl,346.0
15518,c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1,C1COCCO1,343.0
854,CC(C)(C)OC(=O)N1CCN(c2ccc3c(-c4ccc(I)cc4)c4ccc(=[N+]5CCN(C(=O)OC(C)(C)C)CC5)cc-4oc3c2)CC1,ClCCl,561.0
9915,COc1cccc(OC)c1-c1c2ccc(=[N+]3CCN(C(=O)OC(C)(C)C)CC3)cc-2oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12,ClCCl,555.0
9916,COc1cccc(OC)c1-c1c2ccc(=[N+]3CCNCC3)cc-2oc2cc(N3CCNCC3)ccc12,CCO,561.0
9916,COc1cccc(OC)c1-c1c2ccc(=[N+]3CCNCC3)cc-2oc2cc(N3CCNCC3)ccc12,O,542.0
11571,Cc1ccccc1-c1c2ccc(=[N+]3CCN(C(=O)OC(C)(C)C)CC3)cc-2oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12,ClCCl,555.0
11571,Cc1ccccc1-c1c2ccc(=[N+]3CCN(C(=O)OC(C)(C)C)CC3)cc-2oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12,CCO,556.0
849,CC(C)(C)OC(=O)CN1CCN(c2ccc3c(-c4ccc(I)cc4)c4ccc(=[N+]5CCN(CC(=O)OC(C)(C)C)CC5)cc-4oc3c2)CC1,ClCCl,564.0
2547,CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c3ccccc3c3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,762.0
4241,CCCCCCOc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(OCCCCCC)cc6)s5)cc4)c4ccc(-c5ccc(-c6ccc(/C=C7/SC(=S)C(CC(=O)O)C7=O)s6)c6nsnc56)cc4)cc3)s2)cc1,ClC(Cl)Cl,530.0
12314,N#C/C(=C/c1ccc2nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c1)C(=O)O,ClC(Cl)Cl,464.0
9539,COc1ccc(N(c2ccc(/C=C/c3nc4ccc(/C=C(\C#N)C(=O)O)cc4s3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,476.0
11761,Clc1ccc(-n2ncc(-c3ccccc3)n2)cc1,CO,298.0
9218,COc1ccc(-n2ncc(-c3ccc(Cl)cc3)n2)cc1,CO,285.0
9219,COc1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1,CO,280.0
9220,COc1ccc(-n2ncc(-c3ccccc3)n2)cc1,C1CCOC1,305.0
9220,COc1ccc(-n2ncc(-c3ccccc3)n2)cc1,CO,298.0
7394,CN(C)c1ccc(-n2ncc(-c3ccccc3)n2)cc1,C1CCOC1,316.0
12192,Fc1ccc(-c2cnn(-c3ccc(Cl)cc3)n2)cc1,CO,279.0
9089,COc1ccc(-c2cnn(-c3ccc(Cl)cc3)n2)cc1,CO,287.0
9090,COc1ccc(-c2cnn(-c3ccc(F)cc3)n2)cc1,CO,283.0
9091,COc1ccc(-c2cnn(-c3ccc(OC)cc3)n2)cc1,CO,284.0
9092,COc1ccc(-c2cnn(-c3ccccc3)n2)cc1,CO,284.0
12193,Fc1ccc(-c2cnn(-c3ccc(F)cc3)n2)cc1,CO,277.0
12194,Fc1ccc(-c2cnn(-c3ccccc3)n2)cc1,CO,278.0
9088,COc1ccc(-c2cnn(-c3ccc(C#N)cc3)n2)cc1,CO,318.0
12202,Fc1ccc(-n2ncc(-c3ccc(Cl)cc3)n2)cc1,CO,281.0
12203,Fc1ccc(-n2ncc(-c3ccccc3)n2)cc1,CO,294.0
13114,N#Cc1ccc(-n2ncc(-c3ccc(Cl)cc3)n2)cc1,CO,306.0
13115,N#Cc1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1,CO,305.0
13116,N#Cc1ccc(-n2ncc(-c3ccccc3)n2)cc1,CO,309.0
14326,O=[N+]([O-])c1ccc(-n2ncc(-c3ccccc3)n2)cc1,CO,336.0
15021,c1ccc(-c2cnn(-c3ccccc3)n2)cc1,C1CCOC1,295.0
15021,c1ccc(-c2cnn(-c3ccccc3)n2)cc1,CO,294.0
11749,Clc1ccc(-c2cnn(-c3ccc(Cl)cc3)n2)cc1,CO,283.0
11750,Clc1ccc(-c2cnn(-c3ccccc3)n2)cc1,CO,280.0
12695,N#CC(=Cc1ccc(-c2ccc(N(c3ccc4c(c3)OCCO4)c3ccc4c(c3)OCCO4)cc2)o1)C(=O)O,ClCCl,502.0
1226,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=C(C#N)C#N)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,Cc1ccccc1,438.0
1227,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=CC#N)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,Cc1ccccc1,364.0
10214,C[Si]1(C)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)P(=O)(c1ccccc1)c1ccccc12,CO,452.0
10214,C[Si]1(C)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)P(=O)(c1ccccc1)c1ccccc12,Cc1ccccc1,446.0
10214,C[Si]1(C)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)P(=O)(c1ccccc1)c1ccccc12,CC#N,440.0
13649,O=C(O)CN1C(=O)C(=Cc2ccc(NC3=CCC(C=C4SC(=S)N(CC(=O)O)C4=O)(c4ccccc4)C=C3)cc2)SC1=S,CCO,467.0
3777,CCCCCCCCc1nc2c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)sc3c3sc(-c4ccc(-c5ccc6c(c5)C5CCCC5N6c5ccc(C)cc5)c5nc6c7ccccc7c7ccccc7c6nc45)cc3c2nc1CCCCCCCC,C1CCOC1,467.0
12452,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C#N)cc5)cc4)cc3)cc2)cc1)c1ccc(C#N)cc1,C1CCOC1,418.0
7713,CN(C)c1ccc2c(c1)c1cccc3c(-c4ccccc4)nc2n31,CO,469.0
9146,COc1ccc(-c2nc3c4cc(OC)c(OC)c(OC)c4c4cccc2n43)cc1,CO,469.0
9147,COc1ccc(-c2nc3c4ccc(F)cc4c4cccc2n43)cc1,CO,469.0
9149,COc1ccc(-c2nc3c4ccccc4c4cccc2n43)cc1,CO,469.0
8824,COc1cc2c(c(OC)c1OC)c1cccc3c(-c4ccc(C#N)cc4)nc2n31,CO,469.0
8825,COc1cc2c(c(OC)c1OC)c1cccc3c(-c4ccccc4)nc2n31,CO,469.0
13100,N#Cc1ccc(-c2nc3c4ccccc4c4cccc2n43)cc1,CO,469.0
10989,Cc1ccc(-c2nc3c4ccccc4c4cccc2n43)cc1,CO,484.0
15104,c1ccc(-c2nc3c4ccccc4c4cccc2n43)cc1,CO,469.0
12997,N#Cc1c(N2CCCCC2)cc(-c2ccc3c(c2)OCO3)c2c1-c1cccc3cccc-2c13,O,429.0
5994,CCN(CC)c1ccc(/C=N/c2ccccc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,442.0
5994,CCN(CC)c1ccc(/C=N/c2ccccc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CN(C)C=O,490.0
5994,CCN(CC)c1ccc(/C=N/c2ccccc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,ClCCl,442.0
14816,[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-],C1CCOC1,380.0
10602,Cc1cc(/N=C/c2cc(S(=O)(=O)O[Na])ccc2O)c(/N=C/c2cc(S(=O)(=O)O[Na])ccc2O)cc1C,O,371.0
4164,CCCCCCOc1c(OCCCCCC)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)c2nsnc2c1-c1ccc2c(c1)C(CC)(CC)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2,C1CCOC1,454.0
11865,Cn1c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(/C=C(\C#N)C(=O)O)ccc21,C1CCOC1,360.0
9538,COc1ccc(N(c2ccc(/C=C/c3ccc4c(c3)c3cc(/C=C(\C#N)C(=O)O)ccc3n4C)cc2)c2ccc(OC)cc2)cc1,C1CCOC1,370.0
14532,O=c1oc2cc3ccccc3cc2nc1-c1ccccc1,CCCCCC,350.0
14532,O=c1oc2cc3ccccc3cc2nc1-c1ccccc1,CO,346.0
14532,O=c1oc2cc3ccccc3cc2nc1-c1ccccc1,c1ccccc1,356.0
14532,O=c1oc2cc3ccccc3cc2nc1-c1ccccc1,CC#N,348.0
8248,COC(=O)c1[nH]c(-c2ccccc2)c2nnc3ccc(OC)cc3c12,ClCCl,392.0
8244,COC(=O)c1[nH]c(-c2ccc(Br)cc2)c2nnc3ccc(OC)cc3c12,ClCCl,395.0
8245,COC(=O)c1[nH]c(-c2ccc(OC)cc2)c2nnc3ccc(OC)cc3c12,ClCCl,401.0
8246,COC(=O)c1[nH]c(-c2ccc([N+](=O)[O-])cc2)c2nnc3ccc(OC)cc3c12,ClCCl,436.0
1745,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCC3)cc21,C1COCCO1,375.0
1745,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCC3)cc21,CC#N,376.0
1745,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCC3)cc21,CCO,373.0
1745,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCC3)cc21,CS(C)=O,385.0
1745,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCC3)cc21,Cc1ccccc1,371.0
1745,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCC3)cc21,ClC(Cl)Cl,380.0
1745,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCCC3)cc21,O,376.0
2440,CCC1=C(C)C2=C(c3ccc(C(=O)O)cc3)C3=C(C)C(CC)C(/C=C/c4ccc(OCCOCCOC)cc4)=[N+]3[B-](C#COCCOC)(C#COCCOC)N2C1/C=C/c1ccc(OCCOCCOC)cc1,CC#N,640.0
13837,O=C(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,413.0
13893,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2ccc(N3CCOCC3)c3cccc1c23,C1CCOC1,464.0
13893,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2ccc(N3CCOCC3)c3cccc1c23,CC#N,468.0
13893,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2ccc(N3CCOCC3)c3cccc1c23,CCO,460.0
13893,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2ccc(N3CCOCC3)c3cccc1c23,CO,461.0
13893,O=C1C2=C(O[B-](F)(F)[n+]3c2ccc2ccccc23)c2ccc(N3CCOCC3)c3cccc1c23,ClCCl,468.0
2584,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc5c(c4)N(c4ccccc4)C4CCCC54)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(C=C(C#N)C(=O)O)o2)cc1,C1CCOC1,596.0
2297,CCC1(CC)c2cc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4ccccc4)cc2-c2ccccc2)cc1C3(CC)CC,C1CCOC1,366.0
3254,CCCCCCCCCCCCc1cc(-c2ccc3c(c2)N(c2ccccc2)C2C4CCC(C4)C32)sc1-c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)s1,ClCCl,542.0
4795,CCCCCCc1cc(-c2ccc3c(c2)N(c2ccccc2)C2C4CCC(C4)C32)sc1-c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)s1,ClCCl,542.0
4486,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)c5ccc(-c6ccc(C(=O)O)cc6)cc5)s4)c4nsnc34)cc2)cc1,ClCCl,518.0
446,C1=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2C2(c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc31)c1ccccc1-c1ccccc12,ClCCl,403.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CS(C)=O,448.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,Cc1ccccc1,443.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,ClCCl,443.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1CCOC1,443.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1COCCO1,443.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CC#N,437.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CC(C)=O,439.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCCCCC,439.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCO,445.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCOC(C)=O,442.0
4404,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CN(C)C=O,444.0
6272,CCN(CCCCCC(=O)O)c1ccc2cc(-c3cc[n+](CCCS(=O)(=O)[O-])cc3)c(=O)oc2c1,CCO,488.0
2928,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N3c4ccc(/C=C(\C#N)C(=O)O)cc4Sc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc21,ClCCl,487.0
4889,CCCCCCc1cc2c(=S)c3cc(CCCCCC)cc4c(=S)c5cc(CCCCCC)cc6c(=S)c(c1)c2n(c34)c65,ClCCl,572.0
1435,CC(C)[Si](C#Cc1cc2c(=S)c3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4c(=S)c5cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc6c(=S)c(c1)c2n(c34)c65)(C(C)C)C(C)C,ClCCl,577.0
5492,CCCCOc1ccc(-c2oc3c(-c4ccc(OCCCC)cc4)c4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,C1CCOC1,619.0
5492,CCCCOc1ccc(-c2oc3c(-c4ccc(OCCCC)cc4)c4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CN(C)C=O,621.0
5492,CCCCOc1ccc(-c2oc3c(-c4ccc(OCCCC)cc4)c4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CS(C)=O,623.0
5492,CCCCOc1ccc(-c2oc3c(-c4ccc(OCCCC)cc4)c4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,Cc1ccccc1,631.0
5492,CCCCOc1ccc(-c2oc3c(-c4ccc(OCCCC)cc4)c4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,ClC(Cl)Cl,627.0
5492,CCCCOc1ccc(-c2oc3c(-c4ccc(OCCCC)cc4)c4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,ClCCl,624.0
4166,CCCCCCOc1c(OCCCCCC)c2cc(-c3cc4c(s3)-c3sc(/C=C(\C#N)C(=O)O)cc3C4(CCCCCC)CCCCCC)sc2c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc12,C1CCOC1,497.0
5367,CCCCN1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2Sc2cc(-c3nc4ccccc4n3-c3ccccc3)ccc21,C1CCOC1,402.0
5368,CCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2Sc2cc(-c3nc4ccccc4n3-c3ccccc3)ccc21,C1CCOC1,402.0
4676,CCCCCC[Si]1(CCCCCC)c2cc(/C=C(/C#N)C(=O)O)sc2-c2sc(-c3sc(-c4ccc(N(c5ccc(OCC(CC)CCCC)cc5)c5ccc(OCC(CC)CCCC)cc5)cc4)c4c3OCCO4)cc21,CN(C)C=O,493.0
4681,CCCCCC[Si]1(CCCCCC)c2cc(C=C(C#N)C(=O)O)sc2-c2sc(-c3sc(-c4ccc(N(c5ccc(OCC(CC)CCCC)cc5)c5ccc(OCC(CC)CCCC)cc5)cc4)c4c3OCCO4)cc21,CN(C)C=O,493.0
12359,N#C/C(=C\c1cc2sc(-c3cc4sc5cc(-c6ccc(N(c7ccc8c(c7)OCCO8)c7ccc8c(c7)OCCO8)cc6)sc5c4s3)cc2s1)C(=O)O,ClCCl,495.0
3425,CCCCCCCCN1c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2Sc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)ccc21,C1CCOC1,452.0
3425,CCCCCCCCN1c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2Sc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)ccc21,ClCCl,452.0
4394,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc(CCCCCC)c(C4CC5C(S4)C4SC6C(CCCCCC)C(/C=C(\C#N)C(=O)O)SC6C4N5c4ccc(OCCCCCC)cc4)s3)cc2)cc1,ClCCl,510.0
11925,Cn1nc2ccc(C=O)cc2c1-c1cc2ccccc2o1,CC#N,363.0
11925,Cn1nc2ccc(C=O)cc2c1-c1cc2ccccc2o1,ClCCl,367.0
11931,Cn1nc2ccccc2c1-c1cc2ccccc2o1,CC#N,342.0
11931,Cn1nc2ccccc2c1-c1cc2ccccc2o1,ClCCl,345.0
11951,FC(F)(F)c1cc(-c2nc3ncccn3n2)cc(C(F)(F)F)c1,ClCCl,294.0
15117,c1ccc(-c2nc3ncccn3n2)cc1,ClCCl,304.0
7377,CN(C)c1ccc(-c2nc3ncccn3n2)cc1,ClCCl,358.0
14136,O=Cc1ccc(-c2nc3ncccn3n2)cc1,ClCCl,305.0
9161,COc1ccc(-c2nc3ncccn3n2)cc1,ClCCl,317.0
9162,COc1ccc(-c2nc3ncccn3n2)cc1OC,ClCCl,325.0
13102,N#Cc1ccc(-c2nc3ncccn3n2)cc1,ClCCl,296.0
11756,Clc1ccc(-c2nc3ncccn3n2)cc1,ClCCl,305.0
10997,Cc1ccc(-c2nc3ncccn3n2)cc1,ClCCl,310.0
9826,COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccccc4)=C3Br)ccc2c1,ClC(Cl)Cl,695.0
9826,COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccccc4)=C3Br)ccc2c1,ClCCl,695.0
9825,COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccccc4)=C3)ccc2c1,ClC(Cl)Cl,706.0
9825,COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccccc4)=C3)ccc2c1,ClCCl,706.0
7147,CCn1c2ccc(/C=C(\C#N)c3ccccc3)cc2c2cc(/C=C(\C#N)c3ccccc3)ccc21,ClCCl,384.0
4816,CCCCCCc1cc(-c2sc(-c3ccc4c[n+](CC(=O)O)ccc4c3)cc2CCCCCC)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClCCl,481.0
4817,CCCCCCc1cc(-c2sc(-c3ccc4c[n+](CCC(=O)O)ccc4c3)cc2CCCCCC)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClCCl,481.0
4818,CCCCCCc1cc(-c2sc(-c3ccc4c[n+](CCCC(=O)O)ccc4c3)cc2CCCCCC)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClCCl,479.0
4865,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4ccc5cccc6ccc3c4c56)cc2CCCCCC)s1,ClC(Cl)Cl,473.0
11616,Cc1cccn2c1cc1c3ccccc3nc(-c3ccc(Cl)o3)c12,CS(C)=O,405.0
50,Brc1ccc2cc3c4ccccc4nc(-c4ccco4)c3n2c1,CS(C)=O,411.0
11617,Cc1cccn2c1cc1c3ccccc3nc(-c3ccco3)c12,CS(C)=O,400.0
1281,CC(C)(C)c1ccc2c(c1)oc1nc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3cc12,ClC(Cl)Cl,350.0
1313,CC(C)(C)c1cccc2c1oc1nc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3cc12,ClC(Cl)Cl,348.0
1259,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3nc4oc5cc(C(F)(F)F)ccc5c4cc3c2c1,ClC(Cl)Cl,346.0
1260,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3nc4oc5ccc(C(F)(F)F)cc5c4cc3c2c1,C1CCCCC1,343.0
1260,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3nc4oc5ccc(C(F)(F)F)cc5c4cc3c2c1,C1CCOC1,338.0
1260,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3nc4oc5ccc(C(F)(F)F)cc5c4cc3c2c1,CC#N,336.0
1260,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3nc4oc5ccc(C(F)(F)F)cc5c4cc3c2c1,CS(C)=O,337.0
1260,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3nc4oc5ccc(C(F)(F)F)cc5c4cc3c2c1,Cc1ccccc1,343.0
1260,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3nc4oc5ccc(C(F)(F)F)cc5c4cc3c2c1,ClC(Cl)Cl,345.0
11991,FC(F)(F)c1ccc2oc3nc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1,ClC(Cl)Cl,342.0
1296,CC(C)(C)c1ccc2oc3nc4oc5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c4cc3c2c1,ClC(Cl)Cl,346.0
1299,CC(C)(C)c1ccc2oc3nc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1,ClC(Cl)Cl,348.0
15480,c1ccc2c(c1)oc1nc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3cc12,ClC(Cl)Cl,346.0
12747,N#CC(=Cc1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)s1)C(=O)O,ClC(Cl)Cl,409.0
6583,CCOC(=O)C1c2cc(Cl)ccc2C(=O)N1c1ccc(OC)c(OC)c1,CCCCCC,295.0
6583,CCOC(=O)C1c2cc(Cl)ccc2C(=O)N1c1ccc(OC)c(OC)c1,CO,294.0
6583,CCOC(=O)C1c2cc(Cl)ccc2C(=O)N1c1ccc(OC)c(OC)c1,CS(C)=O,308.0
6583,CCOC(=O)C1c2cc(Cl)ccc2C(=O)N1c1ccc(OC)c(OC)c1,ClCCl,300.0
6584,CCOC(=O)C1c2cc(OC)c(OC)cc2C(=O)N1c1ccc(OC)c(OC)c1,CCCCCC,299.0
6584,CCOC(=O)C1c2cc(OC)c(OC)cc2C(=O)N1c1ccc(OC)c(OC)c1,CO,303.0
6584,CCOC(=O)C1c2cc(OC)c(OC)cc2C(=O)N1c1ccc(OC)c(OC)c1,CS(C)=O,302.0
6584,CCOC(=O)C1c2cc(OC)c(OC)cc2C(=O)N1c1ccc(OC)c(OC)c1,ClCCl,303.0
6585,CCOC(=O)C1c2ccccc2C(=O)N1c1ccc(OC)cc1,CCCCCC,283.0
6585,CCOC(=O)C1c2ccccc2C(=O)N1c1ccc(OC)cc1,CO,298.0
6585,CCOC(=O)C1c2ccccc2C(=O)N1c1ccc(OC)cc1,CS(C)=O,300.0
6585,CCOC(=O)C1c2ccccc2C(=O)N1c1ccc(OC)cc1,ClCCl,297.0
6586,CCOC(=O)C1c2ccccc2C(=O)N1c1ccccc1,CCCCCC,282.0
6586,CCOC(=O)C1c2ccccc2C(=O)N1c1ccccc1,CO,282.0
6586,CCOC(=O)C1c2ccccc2C(=O)N1c1ccccc1,CS(C)=O,286.0
6586,CCOC(=O)C1c2ccccc2C(=O)N1c1ccccc1,ClCCl,284.0
9618,COc1ccc(N2C(=O)c3ccccc3C2C(=O)OC(C)(C)C)cc1OC,CCCCCC,296.0
9618,COc1ccc(N2C(=O)c3ccccc3C2C(=O)OC(C)(C)C)cc1OC,CO,296.0
9618,COc1ccc(N2C(=O)c3ccccc3C2C(=O)OC(C)(C)C)cc1OC,CS(C)=O,302.0
9618,COc1ccc(N2C(=O)c3ccccc3C2C(=O)OC(C)(C)C)cc1OC,ClCCl,300.0
2168,CC1=c2cc3c(C)c4n(c3cc2=[N+]2C1=Cc1c3ccccc3c(C)n1[B-]2(F)F)[B-](F)(F)[N+]1=C(C)c2ccccc2C1=C4,ClC(Cl)Cl,775.0
2157,CC1=[N+]2C(=C(c3ccccc3)c3ccc(/C=C/c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)n3[B-]2(F)F)C=C1,C1CCOC1,585.0
797,CC(C)(C)NC(=O)C(OC(=O)c1ccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)cc1)c1ccc(C(F)(F)F)cc1,CC#N,533.5
797,CC(C)(C)NC(=O)C(OC(=O)c1ccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)cc1)c1ccc(C(F)(F)F)cc1,C1CCOC1,538.5
7281,CN(C)c1cc(-c2ccc(C#Cc3ccccc3)cc2)cc2ccccc12,CC#N,302.5763359
7281,CN(C)c1cc(-c2ccc(C#Cc3ccccc3)cc2)cc2ccccc12,CCO,300.2862595
7281,CN(C)c1cc(-c2ccc(C#Cc3ccccc3)cc2)cc2ccccc12,ClCCl,304.0
693,CC(=O)c1ccc(C#Cc2ccc(-c3cc(N(C)C)c4ccccc4c3)cc2)cc1,ClCCl,330.0
7500,CN(C)c1ccc(C#Cc2ccc(-c3cc(N(C)C)c4ccccc4c3)cc2)cc1,ClCCl,352.0
7015,CC[n+]1c(-c2ccccc2)c2cc(-n3cccc3)ccc2c2ccc(-n3cccc3)cc21,O,429.0
2335,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CCCCCC,361.0
2335,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CCCO,360.0
2335,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CCO,360.0
2335,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,Cc1ccccc1,363.0
2335,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,ClC(Cl)Cl,364.0
2335,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,C1CCOC1,362.0
2335,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CC#N,359.0
2335,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CC(C)=O,360.0
7066,CCc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(CC)s2)s1,ClC(Cl)Cl,398.0
15004,c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1,C1CCCCC1,308.0
13910,O=C1C=C(Nc2ccccc2)CCC1,C1CCCCC1,295.0
13910,O=C1C=C(Nc2ccccc2)CCC1,C1CCOC1,302.0
13910,O=C1C=C(Nc2ccccc2)CCC1,C1COCCO1,302.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CC#N,307.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CC(C)O,307.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CC1CCCCC1,295.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CCO,307.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CCOC(C)=O,301.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CCOCC,296.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CN(C)C=O,306.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CO,305.0
13910,O=C1C=C(Nc2ccccc2)CCC1,CS(C)=O,307.0
13910,O=C1C=C(Nc2ccccc2)CCC1,ClC(Cl)(Cl)Cl,299.0
13910,O=C1C=C(Nc2ccccc2)CCC1,ClC(Cl)Cl,303.0
13910,O=C1C=C(Nc2ccccc2)CCC1,O,306.0
11437,Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc(-c2ncccn2)cc1,Cc1ccccc1,380.0
15384,c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2oc3c(c21)C1(c2ccccc2-c2ccccc21)c1ccccc1-3,C1CCOC1,367.0
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCCCC1,339.99728
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,C1CCOC1,341.7985439
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,C1COCCO1,341.4017958
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CC#N,339.99728
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)(C)O,341.7985439
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)=O,340.7038942
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CC(C)(C)C,339.9048266
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)O,340.4834866
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CC(O)CO,342.3016362
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CC1CCCO1,341.4134517
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCO,342.5009419
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCO,342.5948131
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCO,340.7967829
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CCCCO,341.7985439
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CCO,340.4834866
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOC(C)=O,340.0204012
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CCOCC,339.6047001
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CN(C)C=O,342.1142662
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CO,339.6969903
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,CS(C)=O,343.5953821
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1,342.6065506
8149,COC(=O)C(Cc1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1)NC(=O)OC(C)(C)C,OCCO,343.2062326
6441,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3cccc4ccccc34)ccc21,Cc1ccccc1,378.0
6441,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3cccc4ccccc34)ccc21,ClCCl,379.0
6441,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3cccc4ccccc34)ccc21,C1CCOC1,378.0
6441,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(-c3cccc4ccccc34)ccc21,CS(C)=O,383.0
1822,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,525.0
13415,Nc1ccc2nc3ccc(=[NH2+])cc-3oc2c1,CO,583.0
8652,COc1cc(-c2cnc(-c3cnc4ccccc4c3)o2)cc(OC)c1OC,ClCCl,353.0
13821,O=C(c1cc(F)c(N2CCCCC2)cc1F)c1cc(F)c(N2CCCCC2)cc1F,CCO,354.0
4469,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)n5C)c5nsnc45)s3)cc2)cc1,ClCCl,516.0
4470,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)n5CCCCCC)c5nsnc45)s3)cc2)cc1,ClCCl,516.0
3326,CCCCCCCCCCn1c(C=C(C#N)C(=O)O)ccc1-c1ccc(-c2ccc(-c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)s2)c2nsnc12,ClCCl,517.0
3803,CCCCCCCCn1c(C=C(C#N)C(=O)O)ccc1-c1ccc(-c2ccc(-c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)s2)c2nsnc12,ClCCl,517.0
3265,CCCCCCCCCCCCn1c(C=C(C#N)C(=O)O)ccc1-c1ccc(-c2ccc(-c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)s2)c2nsnc12,ClCCl,517.0
14122,O=Cc1ccc(-c2c3ccccc3nn2-c2ccccn2)o1,CC#N,362.0
14122,O=Cc1ccc(-c2c3ccccc3nn2-c2ccccn2)o1,ClCCl,368.0
12730,N#CC(=Cc1ccc(-c2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2-c2ccc(/C=C(/C#N)C(=O)O)s2)s1)C(=O)O,C1CCOC1,478.0
12373,N#C/C(=C\c1ccc(-c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)sc2-c2ccc(/C=C(\C#N)C(=O)O)s2)s1)C(=O)O,C1CCOC1,478.0
11528,Cc1cccc(C)c1C1=c2cc3cc4c5c(c3cc2C2(c3ccccc3Oc3ccccc32)c2cc3c6c7c(cc3cc21)CCCN7CCC6)CCC[N+]=5CCC4,ClCCl,873.0
11604,Cc1ccccc1C1=c2cc3cc4c5c(c3cc2C2(c3ccccc3Oc3ccccc32)c2cc3c6c7c(cc3cc21)CCCN7CCC6)CCC[N+]=5CCC4,ClCCl,879.0
15219,c1ccc(C2=c3cc4cc5c6c(c4cc3C3(c4ccccc4Oc4ccccc43)c3cc4c7c8c(cc4cc32)CCCN8CCC7)CCC[N+]=6CCC5)cc1,ClCCl,880.0
9984,COc1ccccc1C1=c2cc3cc4c5c(c3cc2C2(c3ccccc3Oc3ccccc32)c2cc3c6c7c(cc3cc21)CCCN7CCC6)CCC[N+]=5CCC4,ClCCl,880.0
8562,COCc1ccccc1C1=c2cc3cc4c5c(c3cc2C2(c3ccccc3Oc3ccccc32)c2cc3c6c7c(cc3cc21)CCCN7CCC6)CCC[N+]=5CCC4,ClCCl,885.0
7086,CCc1ccccc1C1=c2cc3cc4c5c(c3cc2C2(c3ccccc3Oc3ccccc32)c2cc3c6c7c(cc3cc21)CCCN7CCC6)CCC[N+]=5CCC4,ClCCl,882.0
12413,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccc(C#Cc5cc6ccc5CCCc5ccc(cc5)CCC6)cc4)c4ccc(C#Cc5cc6ccc5CCCc5ccc(cc5)CCC6)cc4)cc3)s2)s1)C(=O)O,C1CCOC1,446.0
7372,CN(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C(C)(C)C)cc2)cc1,CC#N,411.0
7373,CN(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1,CC#N,411.0
15115,c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1,CC#N,348.0
5158,CCCCCCn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cnc(-c3ccc(C=C(C#N)C(=O)O)o3)c2n1,C1CCOC1,464.0
4477,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5sc(C=C(C#N)C(=O)O)cc5-c5ccc(CCCCC)cc5)c5nsnc45)s3)cc2)cc1,ClCCl,530.0
7205,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,C1CCOC1,393.0
7205,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,CCOC(C)=O,391.0
7205,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,CN(C)C=O,398.0
7205,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,Cc1ccccc1,395.0
7205,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,ClCCl,397.0
262,C(=C/c1ccnc2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,397.0
262,C(=C/c1ccnc2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,397.0
1362,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6c5ccc(OCCC(C)C)cc5)c5nc(C(=O)O)c(C(=O)O)nc45)ccc32)cc1,C1CCOC1,481.0
15506,c1ccc2cc3cnccc3cc2c1,CCO,371.0575139
11469,Cc1ccc2cc3cc(C)ncc3cc2c1,CCO,383.7298542
10856,Cc1cc2cc3cc(C)c(C)cc3cc2cn1,CCO,383.2886163
10857,Cc1cc2cc3ccccc3cc2cn1,CCO,379.0750569
10761,Cc1cc(C)c2cc3cc(C)ncc3cc2c1,CCO,386.1003861
396,C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/c1ccc2c(c1)Cc1ccccc1-2,C1CCOC1,384.0
7434,CN(C)c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(N(C)C)cc4)s3)s2)cc1,Cc1ccccc1,457.9335793
5973,CCN(CC)c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(N(CC)CC)cc4)s3)s2)cc1,Cc1ccccc1,467.896679
1011,CC(C)(C)c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc(C(C)(C)C)cc5)c(C(=O)NCc5cccs5)s4)s3)sc2C(=O)NCc2cccs2)cc1,ClCCl,394.0
3524,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCCCC)cc4)cc3)c3ccc(-c4ccc(C#Cc5ccc(C(=O)O)cc5)c5nsnc45)cc3)cc2)cc1,C1CCOC1,479.0
955,CC(C)(C)c1cc(CN2C(=O)/C(=c3\s/c(=C/c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)C7CCCC7N8c7ccc(C=C(c8ccccc8)c8ccccc8)cc7)s6)s5)s4)c(=O)n3CC(=O)O)SC2=S)cc(C(C)(C)C)c1,ClC(Cl)Cl,550.0
12615,N#C/C(=C\c1sc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(C(=O)O)cc3)cc2)c2c1OCCO2)C(=O)O,CN(C)C=O,492.0
8479,COCC1COc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc(C=C(C#N)C(=O)O)c2O1,ClC(Cl)Cl,491.0
8480,COCC1COc2c(C=C(C#N)C(=O)O)sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2O1,ClC(Cl)Cl,496.0
12873,N#CC(C#N)=Cc1sc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(C(=O)O)cc3)cc2)c2c1OCCO2,CN(C)C=O,492.0
8560,COC[C@@H]1COc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc(/C=C(\C#N)C(=O)O)c2O1,ClC(Cl)Cl,491.0
12319,N#C/C(=C/c1sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c1OCCO2)C(=O)O,CCO,482.0
8561,COC[C@@H]1COc2c(/C=C(\C#N)C(=O)O)sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2O1,ClC(Cl)Cl,496.0
667,CC(=O)c1c2c(cc3ccc(NCc4ccccc4)cc13)CCC2,ClCCl,368.0
3756,CCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc4c(cc3-c3cc5c(cc32)-c2cc3c(cc2C5(c2ccc(CCCCCCCC)cc2)c2ccc(CCCCCCCC)cc2)-c2ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc2C3(CCCCCCCC)CCCCCCCC)Cc2cc(/C=C(\C#N)C(=O)O)ccc2-4)cc1,ClCCl,457.0
3757,CCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc4c(cc3-c3cc5c(cc32)-c2cc3c(cc2C5(c2ccc(CCCCCCCC)cc2)c2ccc(CCCCCCCC)cc2)-c2ccc(N(c5ccc(N(C)C)cc5)c5ccc(N(C)C)cc5)cc2C3(CCCCCCCC)CCCCCCCC)Cc2cc(/C=C(\C#N)C(=O)O)ccc2-4)cc1,ClCCl,444.0
2744,CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)ccc3S4(=O)=O)ccc21,Cc1ccccc1,340.0
2744,CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)ccc3S4(=O)=O)ccc21,ClC(Cl)Cl,355.0
1857,CC1(C)c2ccccc2N(c2ccc(-c3ccc(C#N)cn3)cc2)c2ccccc21,Cc1ccccc1,384.0
1855,CC1(C)c2ccccc2N(c2ccc(-c3ccc(C#N)c(C#N)n3)cc2)c2ccccc21,Cc1ccccc1,404.0
3559,CCCCCCCCOc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3N4CCCCCCCC)cc2)cc1,C1CCOC1,478.0
12508,N#C/C(=C\c1ccc(/C=C/c2c(N3CCCC3)ccc3ccccc23)cc1)C(=O)O,CCO,407.0
264,C(=C/c1ccncn1)\c1ccc(-c2ccco2)cc1,ClCCl,337.0
1587,CC1(C)C(/C=C/C=C2/N(Cc3ccc(C(=O)O)cc3)c3ccccc3C2(C)C)=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,CC#N,550.0
1587,CC1(C)C(/C=C/C=C2/N(Cc3ccc(C(=O)O)cc3)c3ccccc3C2(C)C)=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,CCO,560.0
1587,CC1(C)C(/C=C/C=C2/N(Cc3ccc(C(=O)O)cc3)c3ccccc3C2(C)C)=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,CO,554.0
1587,CC1(C)C(/C=C/C=C2/N(Cc3ccc(C(=O)O)cc3)c3ccccc3C2(C)C)=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,ClC(Cl)Cl,561.0
13090,N#Cc1ccc(-c2ccnc3nc(-c4ccc(N5CCCCC5)cc4)nn23)cc1,ClCCl,391.0
2409,CCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1c2=O,C1CCCCC1,392.0
2409,CCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1c2=O,CO,397.0
2409,CCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1c2=O,CS(C)=O,397.0
2409,CCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1c2=O,ClC(Cl)Cl,397.0
2409,CCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1c2=O,c1ccccc1,396.0
2950,CCCCCCCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC)c(C)c1c2=O,C1CCCCC1,393.0
2950,CCCCCCCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC)c(C)c1c2=O,CO,397.0
2950,CCCCCCCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC)c(C)c1c2=O,CS(C)=O,397.0
2950,CCCCCCCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC)c(C)c1c2=O,ClC(Cl)Cl,396.0
2950,CCCCCCCC1=C(C)C(=O)n2c1cc1[nH]c(C(=O)OC)c(C)c1c2=O,c1ccccc1,395.0
6602,CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,C1CCCCC1,396.0
6602,CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,CO,397.0
6602,CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,CS(C)=O,397.0
6602,CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,ClC(Cl)Cl,398.0
6602,CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,c1ccccc1,397.0
2418,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,C1CCCCC1,396.0
2418,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,CO,397.0
2418,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,CS(C)=O,397.0
2418,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,ClC(Cl)Cl,398.0
2418,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,c1ccccc1,397.0
2419,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OCC(C)C)n1CC(C)C)c2=O,C1CCCCC1,397.0
2419,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OCC(C)C)n1CC(C)C)c2=O,CO,397.0
2419,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OCC(C)C)n1CC(C)C)c2=O,CS(C)=O,397.0
2419,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OCC(C)C)n1CC(C)C)c2=O,ClC(Cl)Cl,399.0
2419,CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OCC(C)C)n1CC(C)C)c2=O,c1ccccc1,397.0
10648,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2c2cc5nc(C#N)c(C(=O)O)nc5cc2c3/C(c2c(C)cc(C)cc2C)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,642.0
10649,Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2c2cc5ncc(C(=O)O)nc5cc2c3/C(c2c(C)cc(C)cc2C)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,622.0
1786,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(/C=C(/C#N)C(=O)O)s5)ccc43)cc21,CCO,411.0
1789,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C=C(C#N)C(=O)O)s5)ccc43)cc21,CCO,411.0
4074,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6c(c5)Sc5cc(/C=C(\C#N)C(=O)O)ccc5N6CCCCCC)cc4)cc3)ccc21,ClCCl,471.0
3443,CCCCCCCCN1c2ccc(C=C(C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)Sc5cc(C=C(C#N)C(=O)O)ccc5N6CCCCCCCC)cc4)c4ccc(C)cc4C)cc3)ccc21,ClC(Cl)Cl,475.0
5363,CCCCN1c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)cc4)s3)cc2Sc2cc(-c3nc4ccccc4n3-c3ccccc3)ccc21,C1CCOC1,399.0
5365,CCCCN1c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)cc2Sc2cc(-c3nc4ccccc4n3-c3ccccc3)ccc21,C1CCOC1,399.0
4654,CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(C#Cc4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc23)S1,CN(C)C=O,447.0
7004,CC[P](CC)(CC)[Pt](C#Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)(C#Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1)[P](CC)(CC)CC,ClCCl,508.0
9780,COc1ccc2c3ccc(OC)cc3n(-c3ccc(-c4nnc(C)o4)cc3)c2c1,Cc1ccccc1,319.0
11708,Cc1nnc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)o1,Cc1ccccc1,340.0
950,CC(C)(C)c1cc(/C=C/CC/C=C2\N(CCC[S](=O)([O-])(=O))c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCC(=O)O)c2cc3c4c(c2[o+]1)CCCN4CCC3,CCO,743.0
9811,COc1ccc2cc(/C=C/c3ccc4ccccc4n3)ccc2c1,ClC(Cl)Cl,354.0
9811,COc1ccc2cc(/C=C/c3ccc4ccccc4n3)ccc2c1,ClCCl,354.0
1175,CC(C)(C)c1ccc2c(c1)C1=NC2=Nc2c3ccc(C(C)(C)C)cc3c3n2[Zn]n2c(c4ccc(C(C)(C)C)cc4c2=N1)=NC1=NC(=N3)c2cc3cc(C(=O)O)ccc3cc21,CCO,694.0
9580,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc5nc6ccccc6c(=O)n5c4)cc3)cc2)cc1,ClCCl,367.0
14487,O=c1c2ccccc2nc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cn12,ClCCl,362.0
1537,CC(c1ccc(OCCCn2c3ccccc3c3cc(C=C(C#N)C(=O)O)ccc32)cc1)(c1ccc(OCCCn2c3ccccc3c3cc(/C=C(/C#N)C(=O)O)ccc32)cc1)c1ccc(OCCCn2c3ccccc3c3cc(/C=C(/C#N)C(=O)O)ccc32)cc1,CN(C)C=O,350.0
12213,Fc1ccc(C2=C(c3ccc(F)cc3)c3ccccc3B3Nc4ccccc4C=C32)cc1,ClCCl,383.0
5304,CCCCN1B2C(=Cc3ccccc31)C(c1ccccc1)=C(c1ccccc1)c1ccccc12,ClCCl,390.0
11435,Cc1ccc2c(c1)C(c1ccccc1)=C(c1ccccc1)C1=Cc3ccccc3NB12,ClCCl,382.0
11982,FC(F)(F)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)c3ccccc3B3Nc4ccccc4C=C32)cc1,ClCCl,381.0
412,C1=C2B(Nc3ccccc31)c1ccccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,383.0
12224,Fc1ccc2c(c1)C(c1ccccc1)=C(c1ccccc1)C1=Cc3ccccc3NB12,ClCCl,379.0
1449,CC(C)[Si](C#Cc1ccc2c(c1)C=C1B(N2)c2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc2C(c2ccccc2)=C1c1ccccc1)(C(C)C)C(C)C,ClCCl,402.0
11126,Cc1ccc(C2=C(c3ccc(C)cc3)c3ccccc3B3Nc4ccccc4C=C32)cc1,ClCCl,384.0
2978,CCCCCCCCC(CCCCCCCC)n1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)s3)cc2c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc21,C1CCOC1,484.0
2979,CCCCCCCCC(CCCCCCCC)n1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc2c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc21,C1CCOC1,484.0
5057,CCCCCCn1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc2c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc21,C1CCOC1,468.0
5056,CCCCCCn1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)s3)cc2c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc21,C1CCOC1,468.0
10258,C[n+]1ccc(/C=C/c2cc[n+](C)cc2)cc1,CC#N,317.0
14866,c1cc2c3cc1c1ccc4c(c1)c1cc(ccc1[C@]15OCCO[C@]41OCCO5)c1ccc4c(c1)c1cc(ccc1[C@]15OCCO[C@]41OCCO5)c1ccc(c3c1)[C@]13OCCO[C@]21OCCO3,Cc1ccccc1,300.0
13827,O=C(c1ccc(/C(=C(/c2ccccc2)c2ccc(C(=O)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,340.0
178,C(/C=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)=C\c1ccncc1,C1COCCO1,356.0
178,C(/C=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)=C\c1ccncc1,CC#N,350.0
178,C(/C=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)=C\c1ccncc1,CCCCCCC,360.0
178,C(/C=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)=C\c1ccncc1,CO,353.0
6443,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(/C=N/Nc3ccccn3)ccc21,Cc1ccccc1,392.0
6443,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(/C=N/Nc3ccccn3)ccc21,ClCCl,393.0
6443,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(/C=N/Nc3ccccn3)ccc21,C1CCOC1,392.0
6443,CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(/C=N/Nc3ccccn3)ccc21,CS(C)=O,398.0
7689,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4CC(O)C(CO)O4)nn3)ccc1-2,C1COCCO1,394.0
7689,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4CC(O)C(CO)O4)nn3)ccc1-2,CC#N,395.0
7689,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4CC(O)C(CO)O4)nn3)ccc1-2,CCO,403.0
7689,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4CC(O)C(CO)O4)nn3)ccc1-2,CCOC(C)=O,393.0
7689,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4CC(O)C(CO)O4)nn3)ccc1-2,CO,395.0
7689,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4CC(O)C(CO)O4)nn3)ccc1-2,CS(C)=O,405.0
7689,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4CC(O)C(CO)O4)nn3)ccc1-2,Cc1ccccc1,391.0
7689,CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4CC(O)C(CO)O4)nn3)ccc1-2,ClC(Cl)Cl,403.0
12081,F[B-]1(F)n2c(c(-c3ccccc3)c3c2C2=Cc4ccccc4OC2CC3)C=C2C(c3ccccc3)=C3CCC4Oc5ccccc5C=C4C3=[N+]21,ClC(Cl)Cl,732.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,C1CCCCC1,462.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,C1CCOC1,471.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,CC#N,470.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,CC(C)OC(C)C,470.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,CCCCOCCCC,469.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,CCO,480.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,CCOC(C)=O,472.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,CN(C)C=O,474.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,Cc1ccccc1,472.0
3327,CCCCCCCCCCn1cc(C2=C(c3cn(CCCCCCCCCC)c4ccccc34)C(=O)N(C)C2=O)c2ccccc21,ClCCl,477.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,C1CCOC1,450.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,CC#N,446.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,CC(C)OC(C)C,443.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,CCCCOCCCC,445.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,CCO,460.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,CCOC(C)=O,445.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,CN(C)C=O,454.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,Cc1ccccc1,447.0
13961,O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12,ClCCl,448.0
3909,CCCCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2ccc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c7cc(/C=C(\C#N)C(=O)O)ccc7n(CCCCCCC)c6c5)cc4)c4ccc(/C=C/c5ccc6c7cc(/C=C(\C#N)C(=O)O)ccc7n(CCCCCCC)c6c5)cc4)cc3)cc21,ClCCl,402.0
3913,CCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2ccc(/C=C\c3ccc(N(c4ccc(/C=C\c5ccc6c7cc(C=C(C#N)C(=O)O)ccc7n(CCCCCCC)c6c5)cc4)c4ccc(/C=C/c5ccc6c7cc(C=C(C#N)C(=O)O)ccc7n(CCCCCCC)c6c5)cc4)cc3)cc21,ClCCl,402.0
10137,C[N+]1=C(/C=C2/C(=O)C(O)=C2[O-])C(C)(C)c2ccccc21,CCO,419.0
5570,CCCC[N+]1=C(/C=C2/C(=O)C(O)=C2[O-])C(C)(C)c2ccccc21,CCO,423.0
3090,CCCCCCCCCCCCCCCCCC[N+]1=C(/C=C2/C(=O)C(O)=C2[O-])C(C)(C)c2ccccc21,CCO,423.0
7947,CN1B(c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-c2ccccc21,C1CCCCC1,331.0
15188,c1ccc(B2Nc3ccccc3-c3ccccc32)cc1,C1CCCCC1,329.0
5645,CCCCn1c(-c2ccc(-c3ccncc3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,358.0
3861,CCCCCCCCn1nc2c(-c3ccc(/C=C(/C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N5c6ccccc6C6C7CCC(C7)C65)cc4)s3)c2n1,ClCCl,641.0
3872,CCCCCCCCn1nc2c(-c3ccc(C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N5c6ccccc6C6C7CCC(C7)C65)cc4)s3)c2n1,ClCCl,617.0
9189,COc1ccc(-n2c(-c3ccc(-c4cncc5ccccc45)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1,C1CCOC1,328.0
3746,CCCCCCCCc1ccc(-c2nc3c(-c4ccc(/C=C(/C#N)C(=O)O)cc4)ccc(-c4cc(CCCCCCCC)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c3nc2-c2ccc(CCCCCCCC)s2)s1,ClCCl,438.0
3748,CCCCCCCCc1ccc(-c2nc3c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc(-c4cc(CCCCCCCC)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c3nc2-c2ccc(CCCCCCCC)s2)s1,ClCCl,438.0
5802,CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,C1COCCO1,565.0
5802,CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CC(C)=O,559.0
5802,CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CCCCO,562.0
5802,CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CCCO,561.0
5802,CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CCO,558.0
5802,CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CO,554.0
5802,CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,ClC(Cl)Cl,568.0
5802,CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,O,530.0
5477,CCCCOc1ccc(-c2ccc(C=C(C#N)C(=O)O)s2)c(OCCCC)c1,CCO,390.0
3468,CCCCCCCCOc1c(C)cc(-c2cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s2)cc1C,ClC(Cl)Cl,413.0
7903,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,C1CCOC1,470.0
8127,COC(=O)/C=C/c1sc(-c2ccc(N(C)C)cc2)cc1N,CC#N,419.0
7905,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,C1CCOC1,470.0
7907,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(C=C(C#N)C(=O)O)s2)cc1,C1CCOC1,470.0
7907,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(C=C(C#N)C(=O)O)s2)cc1,ClCCl,470.0
14971,c1ccc(-c2cc3ccc4cc5c(ccc6cc(-c7ccccc7)oc65)cc4c3o2)cc1,ClCCl,422.0
180,C(/C=C/c1ccc2ncnc(Nc3ccccc3)c2c1)=C\c1ccccc1,ClC(Cl)Cl,361.0
7409,CN(C)c1ccc(/C=C/C=C/c2ccc3ncnc(Nc4ccccc4)c3c2)cc1,ClC(Cl)Cl,403.0
9252,COc1ccc(/C=C/C=C/c2ccc3ncnc(Nc4ccccc4)c3c2)cc1,ClC(Cl)Cl,369.0
14328,O=[N+]([O-])c1ccc(/C=C/C=C/c2ccc3ncnc(Nc4ccccc4)c3c2)cc1,ClC(Cl)Cl,391.0
13121,N#Cc1ccc(/C=C/C=C/c2ccc3ncnc(Nc4ccccc4)c3c2)cc1,ClC(Cl)Cl,375.0
2533,CCCC1=C(CCC)c2cccc3c2c(cc2nc4ccccc4nc23)O1,ClCCl,499.0
2479,CCC1=C(CC)c2cccc3c2c(cc2nc4ccccc4nc23)O1,ClCCl,501.0
2806,CCCCC1=C(CCCC)c2cccc3c2c(cc2nc4ccccc4nc23)O1,ClCCl,503.0
1935,CC1=C(C)c2cccc3c2c(cc2nc4ccccc4nc23)O1,ClCCl,497.0
563,C=c1c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n(CC)c(=C)c2c(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)n1CC,CCO,423.0
3907,CCCCCCCn1c2ccc(/C=C(/C#N)C(=O)O)cc2c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccc6c(c5)c5cc(/C=C(\C#N)C(=O)O)ccc5n6CCCCCCC)cc4)cc3)ccc21,ClCCl,400.0
14479,O=c1c2ccccc2c2c3c(cccc13)c(-c1ccccc1)c1c3cccc4cccc(c43)c12,CC#N,462.0
14479,O=c1c2ccccc2c2c3c(cccc13)c(-c1ccccc1)c1c3cccc4cccc(c43)c12,CO,461.0
14144,O=Cc1ccc(C#CC(C#Cc2ccc(C=O)s2)=Cc2ccc(C=C(C#Cc3ccc(C=O)s3)C#Cc3ccc(C=O)s3)s2)s1,ClC(Cl)Cl,524.0
159,C(#Cc1cccs1)C(C#Cc1cccs1)=Cc1ccc(C=C(C#Cc2cccs2)C#Cc2cccs2)s1,ClC(Cl)Cl,486.0
227,C(=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(-c2ccc(/C=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1,Cc1ccccc1,370.0
227,C(=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(-c2ccc(/C=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,389.0
6318,CCN1/C(=C/C=C/C=C2\CCCc3c2[o+]c2cc4c(cc2c3C2=C(C(=O)N(C)CCCC(=O)O)C=CCC2)C(CS(=O)(=O)[O-])=CC(C)(C)N4CC)C(C)(C)c2c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc21,CCO,863.0
11091,Cc1ccc(C(=O)/N=c2\oc3cccc4c5c(-c6ccccc6)oc6cccc(c(c2-c2ccccc2)c34)c65)cc1,ClC(Cl)Cl,385.0
2915,CCCCCCC1(CCCCCC)c2cc(/C=C/c3ccc(N(c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)cc3)sc2-c2sc(/C=C(\C#N)C(=O)O)cc21,CO,542.0
14087,O=C1c2ccccc2C2=Nc3ccc4ccccc4[n+]3[B-](F)(F)N12,ClCCl,387.0
6852,CCOC(=O)c1sc2nc3c(c(C#N)c2c1N)CCCC3,c1ccccc1,420.0
4256,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)cc2)cc1,ClCCl,505.0
4254,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,CCO,450.0
12719,N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)c3nsnc23)cc1)C(=O)O,ClCCl,575.0
4893,CCCCCCc1cc2c(s1)-c1ccccc1N1B2c2cc(CCCCCC)sc2-c2cc3c(cc21)-c1sc(CCCCCC)cc1B1c2cc(CCCCCC)sc2-c2ccccc2N13,C1CCOC1,415.0
5097,CCCCCCn1c2ccccc2c2cc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)ccc21,C1CCOC1,461.0
14297,O=[N+]([O-])c1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1,ClC(Cl)Cl,346.0
13089,N#Cc1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1,ClC(Cl)Cl,343.0
9059,COc1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1,ClC(Cl)Cl,348.0
7338,CN(C)c1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1,ClC(Cl)Cl,325.0
15320,c1ccc(Nc2ncnc3ccc(-c4ccccc4)cc23)cc1,ClC(Cl)Cl,344.0
15049,c1ccc(-c2nc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)s2)cc1,ClC(Cl)Cl,367.0
9612,COc1ccc(N(c2ccc(OC)cc2)c2sc(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1,ClC(Cl)Cl,393.0
9123,COc1ccc(-c2nc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)s2)cc1,ClC(Cl)Cl,357.0
11751,Clc1ccc(-c2nc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)s2)cc1,ClC(Cl)Cl,371.0
11752,Clc1ccc(-c2nc(-c3ccccc3)sc2N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,366.0
1978,CC1=CC(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)=[N+]2C1=C(c1ccc(C(=O)O)cc1)c1c(C)cc(/C=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)n1[B-]2(F)F,ClCCl,644.0
1791,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C=Cc6ccc(C=C(C#N)C(=O)O)s6)s5)ccc43)cc21,CCO,451.0
1787,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(/C=C/c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc43)cc21,CCO,451.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CO,639.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CS(C)=O,644.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,ClC(Cl)(Cl)Cl,646.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,c1ccccc1,646.0
13422,Nc1cccc2c1C(=O)c1ccccc1C2=O,CC#N,466.0
13422,Nc1cccc2c1C(=O)c1ccccc1C2=O,ClCCl,464.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,C1CCCCC1,646.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,C1COCCO1,644.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CC(C)=O,642.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CCCCCCCCCCO,649.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CCCCCCCO,648.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CCCCCCO,647.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CCCCO,646.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CCO,643.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CN(C)C=O,643.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CO,640.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,CS(C)=O,645.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,ClC(Cl)(Cl)Cl,649.0
5426,CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O,c1ccccc1,648.0
13298,Nc1c(C(=O)O)cc(O)c2c1C(=O)c1ccccc1C2=O,CO,556.0
6496,CCNc1cccc2c1C(=O)c1ccccc1C2=O,ClCCl,510.0
13383,Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O,CC#N,438.0
13383,Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O,CC(C)O,484.0
13383,Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O,CCO,477.0
13383,Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O,CCOC(C)=O,433.4
13383,Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O,CO,474.0
8092,CNc1cccc2c1C(=O)c1ccccc1C2=O,C1CCC2CCCCC2C1,488.0
8092,CNc1cccc2c1C(=O)c1ccccc1C2=O,C1CCCCC1,488.0
8092,CNc1cccc2c1C(=O)c1ccccc1C2=O,CC#N,501.0
8092,CNc1cccc2c1C(=O)c1ccccc1C2=O,CC1CCCCC1,489.0
8092,CNc1cccc2c1C(=O)c1ccccc1C2=O,CCC(C)CC,487.0
8092,CNc1cccc2c1C(=O)c1ccccc1C2=O,CCCCCC,487.0
8092,CNc1cccc2c1C(=O)c1ccccc1C2=O,CCOC(C)=O,497.5
13267,NCCNc1cccc2c1C(=O)c1ccccc1C2=O,ClCCl,510.0
7770,CN(C)c1cccc2c1C(=O)c1ccccc1C2=O,C1CCCCC1,487.0
7770,CN(C)c1cccc2c1C(=O)c1ccccc1C2=O,CC#N,502.0
7770,CN(C)c1cccc2c1C(=O)c1ccccc1C2=O,CC1CCCCC1,487.5
7770,CN(C)c1cccc2c1C(=O)c1ccccc1C2=O,CCC(C)CC,487.0
7770,CN(C)c1cccc2c1C(=O)c1ccccc1C2=O,CCCCCC,487.5
7770,CN(C)c1cccc2c1C(=O)c1ccccc1C2=O,CCOC(C)=O,498.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,C1CCCCC1,643.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,C1COCCO1,642.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CC(C)=O,640.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CCCCCCCCCCO,647.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CCCCCCCO,646.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CCCCCCO,645.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CCCCO,644.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CCO,641.0
6473,CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O,CN(C)C=O,641.0
2251,CCC(C)(C)c1ccc2c(c1)C(CC)(CC)c1cc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(C(C)(C)CC)ccc4-5)cc3)ccc1-2,C1CCCCC1,332.0
2253,CCC(C)(C)c1ccc2c(c1)C(CCOC)(CCOC)c1cc(-c3ccc(-c4ccc5c(c4)C(CCOC)(CCOC)c4cc(C(C)(C)CC)ccc4-5)cc3)ccc1-2,C1CCCCC1,332.0
2296,CCC1(CC)c2cc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(C(C)(C)C)ccc4-5)cc3)ccc2-c2ccc(C(C)(C)C)cc21,CO,332.4152542
6357,CCN1C(=O)/C(=c2\s/c(=C\c3cc4c(c5ccccc35)N(c3ccc(C=C(c5ccccc5)c5ccccc5)cc3)C3CCCC43)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,578.0
6935,CCSc1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,O,593.0
7734,CN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1,CCO,547.0
7734,CN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1,O,547.5
6255,CCN(CC)c1ccc2cc3ccc(=[N+](CC)CC)cc-3oc2c1,CN(C)C=O,535.0
6255,CCN(CC)c1ccc2cc3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,525.0
6255,CCN(CC)c1ccc2cc3ccc(=[N+](CC)CC)cc-3oc2c1,CCO,526.0
6459,CCNc1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,O,460.0
6255,CCN(CC)c1ccc2cc3ccc(=[N+](CC)CC)cc-3oc2c1,O,550.0
11269,Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,C1CCOC1,466.0
12478,N#C/C(=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,C1CCOC1,415.0
12478,N#C/C(=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,CO,482.0
12478,N#C/C(=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClC(Cl)Cl,442.0
3591,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,ClCCl,477.0
5506,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,ClC(Cl)Cl,510.0
3594,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,ClCCl,477.0
5507,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,ClC(Cl)Cl,510.0
12692,N#CC(=Cc1ccc(-c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)s1)C(=O)O,CO,440.0
12698,N#CC(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,CC#N,404.0
12698,N#CC(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClC(Cl)Cl,463.0
885,CC(C)(C)[Si](C)(C)OCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,460.0
12279,N#C/C(=C/c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClCCl,473.0
3297,CCCCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,ClCCl,504.0
4868,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,461.0
4515,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,C1CCOC1,443.0
9583,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)cc1,CC#N,501.0
4883,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,461.0
9587,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)s3)cc2)cc1,ClC(Cl)Cl,525.0
9590,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,ClCCl,499.0
4525,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,C1CCOC1,482.0
4525,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,ClC(Cl)Cl,514.0
4525,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,ClCCl,503.0
2280,CCC/C=C/C=C/c1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,453.0
9600,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3sc(/C=C(/C#N)C(=O)O)c(OC)c3OC)cc2)cc1,CS(C)=O,552.0
12847,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(C(=O)O)cc3)cc2)s1,C1CCOC1,460.0
12847,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(C(=O)O)cc3)cc2)s1,CN(C)C=O,478.0
10796,Cc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,466.0
11545,Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)c1,C1CCOC1,412.0
11236,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)s3)cc2)cc1,ClC(Cl)Cl,521.0
12850,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,ClC(Cl)Cl,506.0
12465,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(C(=O)O)cc3)cc2)s1)C(=O)O,CN(C)C=O,478.0
3250,CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1sc(/C=C(\C#N)C(=O)O)c2c1OCCO2,CN(C)C=O,520.0
3454,CCCCCCCCN1c2ccccc2Sc2cc(/C=C\c3sc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3/C=C/c3ccc4c(c3)Sc3ccccc3N4CCCCCCCC)ccc21,ClCCl,508.0
4704,CCCCCCc1cc(-c2cc(CCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1,CC#N,442.0
13848,O=C(c1ccccc1)c1cc2ccc1CCc1ccc(cc1-c1ccc(N(c3ccccc3)c3ccccc3)cc1)CC2,Cc1ccccc1,311.0
2289,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,ClCCl,437.0
7334,CN(C)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3)cc2)cc1,ClCCl,460.0
3654,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc3c(c2)Sc2ccccc2N3CCCCCCCC)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClCCl,442.0
9000,COc1ccc(-c2cc3c(ccc4sc5ccc6sccc6c5c43)s2)cc1,ClCCl,357.0
2762,CCCCC1(CCCC)c2cc(-c3cc4c(s3)c3sc(/C=C(/C#N)C(=O)O)cc3n4-c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,483.0
2763,CCCCC1(CCCC)c2cc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,483.0
1240,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4)c4nsnc34)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,462.0
5272,CCCCN(CCCC)c1ccc2c(c1)OC1=NC(c3ccc(C(=O)O)cc3)n3c(nc4ccccc43)C1=C2,CS(C)=O,454.0
5273,CCCCN(CCCC)c1ccc2c(c1)OC1=NC(c3ccc(O)c(C(=O)O)c3)n3c(nc4ccccc43)C1=C2,CS(C)=O,450.0
6146,CCN(CC)c1ccc2c(c1)OC1=NC(c3ccc(C(=O)O)cc3)n3c(nc4ccccc43)C1=C2,CS(C)=O,451.0
6147,CCN(CC)c1ccc2c(c1)OC1=NC(c3ccc(O)c(C(=O)O)c3)n3c(nc4ccccc43)C1=C2,CS(C)=O,448.0
12522,N#C/C(=C\c1ccc(/C=C/c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c2)cc1)C(=O)O,CCO,406.0
680,CC(=O)c1ccc(-c2cc3c(ccc4sccc43)s2)cc1,ClCCl,350.0
9001,COc1ccc(-c2cc3c(ccc4sccc43)s2)cc1,ClCCl,333.0
13081,N#Cc1ccc(-c2cc3c(ccc4sccc43)s2)cc1,ClCCl,346.0
8873,COc1cc2c3sc4ccccc4c3c3cncnc3c2c(OC)c1OC,ClCCl,376.0
1279,CC(C)(C)c1ccc2c(c1)c1ncncc1c1c3ccccc3sc21,ClCCl,377.0
15481,c1ccc2c(c1)sc1c3ccccc3c3ncncc3c21,ClCCl,375.0
2107,CC1=CC2=C3C(=C4C(C)=C(c5ccc(-c6nc(-c7ccccc7)c(-c7ccccc7)[nH]6)cc5)S[C@@]4(C)[C@]2(C)S1)C(F)(F)C(F)(F)C3(F)F,C1CCOC1,546.0
2110,CC1=CS[C@]2(C)C1=C1C(=C3C(C)=C(c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)S[C@]32C)C(F)(F)C(F)(F)C1(F)F,C1CCOC1,565.0
15448,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccn3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3c2)cc1,C1CCOC1,342.0
4007,CCCCCCN1C(=O)c2cccc3cc(/N=C\c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(c23)C1=O,ClC(Cl)Cl,380.0
1128,CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc4c5cc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)ccc5c(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4c3c2)cc1,ClCCl,433.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,C1CCOC1,351.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,C1COCCO1,354.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CC#N,353.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CC(C)=O,352.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CC(C)OC(C)C,351.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCCCCC,353.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCCCOCCCC,353.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCN(CC)CC,348.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCOC(C)=O,351.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCOCC,348.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,Cc1ccccc1,358.0
15031,c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,c1ccccc1,359.0
7435,CN(C)c1ccc(/C=C/c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,ClC(Cl)Cl,383.0
7435,CN(C)c1ccc(/C=C/c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,C1CCCCC1,376.0
7435,CN(C)c1ccc(/C=C/c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,CC#N,380.0
7435,CN(C)c1ccc(/C=C/c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,CO,378.0
1501,CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(-c5ccc(C(=O)O)cc5)c5ccc6c7c(cc8c9cc(C(=O)O)ccc9c(c9ccc(c2c39)C1=O)c4c8c57)C(=O)N(c1c(C(C)C)cccc1C(C)C)C6=O,ClCCl,607.0
3673,CCCCCCCCOc1ccccc1N1c2ccc(/C=c3\s/c(=C4/SC(=S)N(CCCCCCCC)C4=O)n(CC(=O)O)c3=O)cc2C2CCCC21,ClC(Cl)Cl,545.0
3224,CCCCCCCCCCCCOc1ccccc1N1c2ccc(/C=c3\s/c(=C4/SC(=S)N(CCCCCCCC)C4=O)n(CC(=O)O)c3=O)cc2C2CCCC21,ClC(Cl)Cl,547.0
3089,CCCCCCCCCCCCCCCCCCOc1ccccc1N1c2ccc(/C=c3\s/c(=C4/SC(=S)N(CCCCCCCC)C4=O)n(CC(=O)O)c3=O)cc2C2CCCC21,ClC(Cl)Cl,547.0
3380,CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccccc3OC)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,543.0
3381,CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccccc3OCCCC)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,545.0
5563,CCCC[C@H](CC)Cc1cc(-c2ccc(-c3cc(C[C@H](CC)CCCC)c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)c3nsnc23)sc1-c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)s1,ClCCl,529.0
2681,CCCCC(CC)Cc1cc(-c2ccc(-c3cc(CC(CC)CCCC)c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)c3nsnc23)sc1-c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)s1,ClCCl,529.0
3722,CCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCC)c(-c4ccc(-c5ccc(N(c6ccc(CCCCCC)cc6)c6ccc(CCCCCC)cc6)cc5)s4)s3)c3nsnc23)sc1-c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)s1,ClCCl,543.0
3723,CCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCC)c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)c3nsnc23)sc1-c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)s1,ClCCl,534.0
3726,CCCCCCCCc1cc(-c2sc(-c3ccc(-c4cc(CCCCCCCC)c(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)s4)c4nsnc34)cc2CCCCCCCC)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,529.0
2969,CCCCCCCCC(CCCCCC)Cn1c2cc(C#Cc3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)c3cccc4c5cccc6c(-c7ccc8c(c7)-c7ccccc7C8(CC(CCCCCC)CCCCCCCC)CC(CCCCCC)CCCCCCCC)cc1c(c65)c2c34,C1CCOC1,512.0
12407,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nsnc23)s1)C(=O)O,C1CCOC1,546.0
4734,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)c3nsnc23)sc1/C=C/c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,C1CCOC1,574.0
4735,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)c3nsnc23)sc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,557.0
1144,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c2c45)c86)C(=O)N(Cc2ccccc2)C7=O)C(=O)N(Cc2ccccc2)C3=O)cc1,ClC(Cl)Cl,581.0
5638,CCCCn1c(-c2ccc(-c3ccc(C(=O)OCC)cc3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,364.0
2857,CCCCCCC(CCCC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1cc2c3nonc3c3cc(-c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4CC(CCCC)CCCCCC)sc3c2s1,C1CCOC1,462.0
4665,CCCCCC[C@H](CCCC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1cc2c3nonc3c3cc(-c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4C[C@H](CCCC)CCCCCC)sc3c2s1,C1CCOC1,462.0
7306,CN(C)c1ccc(-c2cc(-c3ccc(N(C)C)cc3)ncn2)cc1,ClCCl,378.0
4292,CCCCCCOc1ccc(-c2nc3c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)sc4c4sc(-c5ccc(/C=C(\C#N)C(=O)O)o5)cc4c3nc2-c2ccc(OCCCCCC)cc2)cc1,C1CCOC1,487.0
4293,CCCCCCOc1ccc(-c2nc3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)sc4c4sc(-c5ccc(/C=C(\C#N)C(=O)O)o5)cc4c3nc2-c2ccc(OCCCCCC)cc2)cc1,C1CCOC1,475.0
9155,COc1ccc(-c2nc3ccccc3nc2/C=C/N2CCCC2)s1,CC#N,456.0
5009,CCCCCCn1c(=O)c2c3[nH]c4ccccc4sc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O,ClCCl,500.0
4207,CCCCCCOc1cc(N(CC)CC)ccc1/C=C(\C#N)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,ClCCl,557.0
7219,CCn1c2ccccc2c2cc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)ccc21,C1CCOC1,473.0
1616,CC1(C)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)P(=O)(c1ccccc1)c1ccccc12,CC#N,412.0
1616,CC1(C)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)P(=O)(c1ccccc1)c1ccccc12,CO,424.0
1616,CC1(C)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)P(=O)(c1ccccc1)c1ccccc12,Cc1ccccc1,418.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,C1CCCCC1,461.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,CC(C)=O,461.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,CCCCCC,458.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,CCCO,466.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,CCO,460.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,CCOCC,462.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,CO,460.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,Cc1ccccc1,465.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,ClC(Cl)(Cl)Cl,465.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,ClC(Cl)Cl,464.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,Nc1ccccc1,474.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,O=[N+]([O-])c1ccccc1,476.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,OCC(O)CO,471.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,OCc1ccccc1,473.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,c1ccc2ncccc2c1,477.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,c1ccccc1,465.0
15559,c1csc(-c2cnc(-c3cccs3)c3nonc23)c1,c1ccncc1,472.0
4480,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)c(-c3cc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)ccc3-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)c2)cc1,ClCCl,503.0
4484,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)c(-c3cc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)ccc3-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)c2)cc1,ClCCl,503.0
2587,CCCCC(CC)CN1C(=O)C2=C(c3ccc(C#Cc4ccc(C(=O)O)cc4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(C#CCN(C)C)s1,C1CCOC1,602.0
4719,CCCCCCc1cc(-c2cc[n+](C(=O)O)cc2)sc1-c1ccc2c(c1)Sc1ccccc1N2CCCCCC,ClCCl,506.0
135,C(#Cc1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)c2ccccc12)c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,437.0
135,C(#Cc1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)c2ccccc12)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,420.0
135,C(#Cc1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)c2ccccc12)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CO,427.0
855,CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2cc(C=O)ccc2-3)CC1,CC#N,362.0
855,CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2cc(C=O)ccc2-3)CC1,CCO,362.0
855,CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2cc(C=O)ccc2-3)CC1,CS(C)=O,375.0
855,CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2cc(C=O)ccc2-3)CC1,Cc1ccccc1,365.0
855,CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2cc(C=O)ccc2-3)CC1,ClC(Cl)Cl,366.0
855,CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2cc(C=O)ccc2-3)CC1,O,377.0
855,CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2cc(C=O)ccc2-3)CC1,C1COCCO1,363.0
15168,c1ccc(-n2c3ccccc3c3cc(-n4ccc5cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1,ClCCl,325.0
4708,CCCCCCc1cc(-c2cc3c(-c4ccc(CC(CC)CCCC)s4)c4sc(-c5cc(CCCCCC)c(-c6cc(CCCCCC)c(-c7sc(/C=C(\C#N)C(=O)O)c8c7OCCO8)s6)s5)cc4c(-c4ccc(CC(CC)CCCC)s4)c3s2)sc1-c1cc(CCCCCC)c(-c2sc(/C=C(/C#N)C(=O)O)c3c2OCCO3)s1,C1CCOC1,484.0
4709,CCCCCCc1cc(-c2cc3c(-c4ccc(CC(CC)CCCC)s4)c4sc(-c5cc(CCCCCC)c(-c6cc(CCCCCC)c(-c7sc(/C=C(\C#N)C(=O)O)c8c7OCCO8)s6)s5)cc4c(-c4ccc(CC(CC)CCCC)s4)c3s2)sc1-c1cc(CCCCCC)c(-c2sc(/C=C(\C#N)C(=O)O)c3c2OCCO3)s1,C1CCOC1,484.0
4398,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc6cc(/C=C(/C#N)C(=O)O)c(Cl)nc6c5)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,477.0
4400,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc6cc(C(=O)O)c(Cl)nc6c5)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,473.0
10495,Cc1cc(/C=C/c2ccc(-c3ccccn3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
8419,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(-n4ccnc4)cc3)nc2c1,CS(C)=O,387.0
3138,CCCCCCCCCCCCN1C(=O)c2ccc3c4c(-c5ccncc5)cc5c6c(ccc(c7c(-c8ccncc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,ClC(Cl)Cl,538.8961321164711
7198,CCn1c2ccccc2c2cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=C(/C=C/c5ccc6c7ccccc7n(CC)c6c5)C=C(C)C3=C4c3ccc(C(=O)O)cc3)ccc21,ClCCl,682.0
3847,CCCCCCCCn1c2ccccc2c2cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=C(/C=C/c5ccc6c7ccccc7n(CCCCCCCC)c6c5)C=C(C)C3=C4c3ccc(C(=O)O)cc3)ccc21,ClCCl,504.0
9479,COc1ccc(C2=[N+]3C(=Nc4c5c6cc(OC)c(OC)c(OC)c6c6cc(C(C)(C)C)ccc6c5c(-c5ccc(OC)cc5)n4[B-]3(F)F)c3c2c2ccc(C(C)(C)C)cc2c2c(OC)c(OC)c(OC)cc32)cc1,Cc1ccccc1,745.0
9480,COc1ccc(C2=[N+]3C(=Nc4c5c6ccccc6c6ccc(C(C)(C)C)cc6c5c(-c5ccc(OC)cc5)n4[B-]3(F)F)c3c2c2cc(C(C)(C)C)ccc2c2ccccc32)cc1,Cc1ccccc1,716.0
9213,COc1ccc(-n2nc(C#N)c(N3CCOCC3)n2)cc1,CC#N,324.0
3818,CCCCCCCCn1c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc3c(cc21)c1cc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)ccc1n3CCCCCCCC,Cc1ccccc1,389.0
208,C(=C/c1cc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,343.0
208,C(=C/c1cc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,CC#N,344.0
208,C(=C/c1cc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,Cc1ccccc1,345.0
208,C(=C/c1cc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(/C=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)\c1ccc(-n2c3ccccc3c3ccccc32)cc1,ClCCl,344.0
11526,Cc1cccc(C)c1C1=C2C=CC(=[N+](C)C)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,700.0
9972,COc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,701.0
9921,COc1cccc(OC)c1C1=C2C=CC(=[N+](C)C)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,703.0
7702,CN(C)c1ccc2c(c1)P(=O)(c1ccccc1)C1=CC(=[N+](C)C)C=CC1=C2c1ccccc1,O,698.0
7703,CN(C)c1ccc2c(c1)P(=O)(c1ccccc1)C1=CC(=[N+](C)C)C=CC1=C2c1ccccc1C(F)(F)F,O,709.0
7084,CCc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,699.0
10728,Cc1cc(C)c(C2=C3C=CC(=[N+](C)C)C=C3P(=O)(c3ccccc3)c3cc(N(C)C)ccc32)c(C)c1,O,700.0
11588,Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,699.0
12393,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4cc5ccc6c7ccccc7[nH]c6c5s4)s3)s2)s1)C(=O)O,ClC(Cl)Cl,486.0
3859,CCCCCCCCn1c2ccccc2c2ccc3cc(-c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)s4)sc3c21,ClC(Cl)Cl,486.0
4090,CCCCCCN1c2ccc(/C=C3/SC(=S)C(CC(=O)O)C3=O)cc2Sc2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21,ClCCl,493.0
15291,c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc6ccc3c4c65)cc2)cc1,ClCCl,438.0
2799,CCCCC1(c2ccc(OC)cc2)Nc2ccccc2N=C1c1ccc(OC)cc1,ClC(Cl)Cl,372.0
2804,CCCCC1(c2ccccc2)Nc2ccccc2N=C1c1ccccc1,ClC(Cl)Cl,386.0
5139,CCCCCCn1c2ccsc2c2sc(-c3ccc(N(c4ccc(-c5cc6c(s5)c5sc(/C=C(\C#N)C(=O)O)cc5n6CCCCCC)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)cc21,ClCCl,521.0
2333,CCC1(CC)c2cc(/C=C/c3cccs3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(/C=C/c4cccs4)ccc2-3)C(CC)(CC)c2cc(/C=C/c3cccs3)ccc2-1,C1CCOC1,386.0
3767,CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)c2ccc3c(c2)/C=N/c2ccc(C(=O)O)cc2/N=C/c2cc(N(c4ccc(CCCCCCCC)cc4)c4ccc(CCCCCCCC)cc4)ccc2O[Zn]O3)cc1,C1CCOC1,470.0
10776,Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)/C=N/c2ccc(C(=O)O)cc2/N=C/c2cc(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc2O[Zn]O3)c1,C1CCOC1,473.0
1129,CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)/C=N/c2ccc(C(=O)O)cc2/N=C/c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2O[Zn]O3)cc1,C1CCOC1,470.0
5199,CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc3c(c2)/C=N/c2ccc(C(=O)O)cc2/N=C/c2cc(N(c4ccc(CCCCC)cc4)c4ccc(CCCCC)cc4)ccc2O[Zn]O3)cc1,C1CCOC1,452.0
13686,O=C(O)c1cc2c(cc1C(=O)O)/N=C/c1cc(N(c3ccccc3)c3ccccc3)ccc1O[Zn]Oc1ccc(N(c3ccccc3)c3ccccc3)cc1/C=N/2,C1CCOC1,470.0
13756,O=C(O)c1ccc2c(c1)/N=C/c1cc(N(c3ccccc3)c3ccccc3)ccc1O[Zn]Oc1ccc(N(c3ccccc3)c3ccccc3)cc1/C=N/2,C1CCOC1,470.0
4243,CCCCCCOc1ccc(-c2ccc(/C=C/c3cc(/C=C/c4ccc(-c5ccc(OCCCCCC)cc5)cc4)ncn3)cc2)cc1,ClCCl,373.0
5794,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2cc[n+](C)cc2)C(C)(C)c2ccccc21,CO,627.0
5794,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2cc[n+](C)cc2)C(C)(C)c2ccccc21,CS(C)=O,637.0
5794,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2cc[n+](C)cc2)C(C)(C)c2ccccc21,O,626.0
12245,Fc1ccccc1C1=C(c2ccccc2F)c2ccc3c4c(ccc(c24)O1)OC(c1ccccc1F)=C3c1ccccc1F,ClCCl,463.0
15208,c1ccc(C2=C(c3ccccc3)c3ccc4c5c(ccc(c35)O2)OC(c2ccccc2)=C4c2ccccc2)cc1,ClCCl,490.0
10846,Cc1cc2c3c(ccc4c3c1OC(c1ccccc1)=C4c1ccccc1)C(c1ccccc1)=C(c1ccccc1)O2,ClCCl,499.0
11981,FC(F)(F)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)c3ccc4c5c(ccc(c35)O2)OC(c2ccc(C(F)(F)F)cc2)=C4c2ccc(C(F)(F)F)cc2)cc1,ClCCl,507.0
11773,Clc1ccc(C2=C(c3ccc(Cl)cc3)c3ccc4c5c(ccc(c35)O2)OC(c2ccc(Cl)cc2)=C4c2ccc(Cl)cc2)cc1,ClCCl,499.0
37,Brc1ccc(C2=C(c3ccc(Br)cc3)c3ccc4c5c(ccc(c35)O2)OC(c2ccc(Br)cc2)=C4c2ccc(Br)cc2)cc1,ClCCl,501.0
12234,Fc1cccc(C2=C(c3cccc(F)c3)c3ccc4c5c(ccc(c35)O2)OC(c2cccc(F)c2)=C4c2cccc(F)c2)c1,ClCCl,497.0
12211,Fc1ccc(C2=C(c3ccc(F)cc3)c3ccc4c5c(ccc(c35)O2)OC(c2ccc(F)cc2)=C4c2ccc(F)cc2)cc1,ClCCl,487.0
4970,CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc(/C=C(\C#N)C(=O)O)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1,ClC(Cl)Cl,465.0
11149,Cc1ccc(C2=C3C=CC([Se]c4ccccc4)=[N+]3[B-](F)(F)n3c([Se]c4ccccc4)ccc32)cc1,C1CCOC1,586.0
10640,Cc1cc(C)c(-c2cc3c(s2)-c2sc(-c4c(C)cc(C)cc4C)cc2P(c2ccccc2)(c2ccccc2)=[O+][B-]3(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1,C1CCOC1,366.0
9006,COc1ccc(-c2cc3c(s2)-c2sc(-c4ccc(OC)cc4)cc2P(c2ccccc2)(c2ccccc2)=[O+][B-]3(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)cc1,C1CCOC1,415.0
10749,Cc1cc(C)c([B-]2(c3c(C)cc(C)cc3C)[O+]=P(c3ccccc3)(c3ccccc3)c3cc(-c4ccc(C(C)(C)C)cc4)sc3-c3sc(-c4ccc(C(C)(C)C)cc4)cc32)c(C)c1,C1CCOC1,409.0
10750,Cc1cc(C)c([B-]2(c3c(C)cc(C)cc3C)[O+]=P(c3ccccc3)(c3ccccc3)c3cc(-c4ccc(C(F)(F)F)cc4)sc3-c3sc(-c4ccc(C(F)(F)F)cc4)cc32)c(C)c1,C1CCOC1,405.0
10751,Cc1cc(C)c([B-]2(c3c(C)cc(C)cc3C)[O+]=P(c3ccccc3)(c3ccccc3)c3cc(-c4ccc(N(C)C)cc4)sc3-c3sc(-c4ccc(N(C)C)cc4)cc32)c(C)c1,C1CCOC1,445.0
10752,Cc1cc(C)c([B-]2(c3c(C)cc(C)cc3C)[O+]=P(c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)sc3-c3sc(-c4ccccc4)cc32)c(C)c1,C1CCOC1,402.0
7220,CCn1c2ccccc2c2cc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3-4)ccc21,C1CCOC1,474.0
456,C1=Cc2ccccc2C(=Cc2ccc(-c3cc(-c4ccc(C=C5c6ccccc6C=Cc6ccccc65)cc4)cc(-c4ccc(C=C5c6ccccc6C=Cc6ccccc65)cc4)c3)cc2)c2ccccc21,C1CCOC1,325.0
9961,COc1ccccc1-c1nc2c3ccccc3c3ccccc3c2o1,Cc1ccccc1,364.0
14695,Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2o1,Cc1ccccc1,364.0
4265,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c(c3)sc3cc(C5(C=C(C#N)C(=O)O)CC=C(c6cccs6)S5)sc34)cc2)c(OCCCCCC)c1,C1CCOC1,475.0
4837,CCCCCCc1cc(-c2sc(-c3sc(/C=C(\C#N)C(=O)O)cc3CCCCCC)cc2CCCCCC)sc1-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1,C1CCOC1,430.0
1406,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#Cc2ccc(C=C(C#N)C(=O)O)s2)c2cc3ccccc3cc12)(C(C)C)C(C)C,C1CCOC1,677.0
13655,O=C(O)COc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCC(=O)O)c4)c4nc(cc5ccc2[nH]5)CC4)CC3)c1,CS(C)=O,736.0
8966,COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OCCCC(=O)O)c4)c4nc(cc5ccc2[nH]5)CC4)CC3)cc1OCCCC(=O)O,CS(C)=O,736.0
13581,O=C(O)CCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCCC(=O)O)c4)c4nc(cc5ccc2[nH]5)CC4)CC3)c1,CS(C)=O,736.0
8963,COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OCC(=O)O)c4)c4nc(cc5ccc2[nH]5)CC4)CC3)cc1OCC(=O)O,CS(C)=O,736.0
1203,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)n2)cc1,C1CCOC1,386.9330454
1203,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)n2)cc1,CC#N,380.0215983
1203,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)n2)cc1,CC(C)=O,380.0215983
1203,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)n2)cc1,CN(C)C=O,384.4492441
1203,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)n2)cc1,Cc1ccccc1,393.1965443
1203,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClC(Cl)Cl,430.0699301
1203,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,382.7213823
9909,COc1cccc(C=CC2=CC3=C4C=C(C=Cc5cccc(OC)c5)C=CN4[Ru]4(N=C=S)(N=C=S)(N3C=C2)N2C=CC(C(=O)O)=CC2=C2C=C(C(=O)O)C=CN24)c1,CC#N,543.0
3666,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc(N(c3ccc(OCCCCCC)cc3)c3ccc(OCCCCCC)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(-c2ccc(C(=O)O)cc2)c2nn(CCCCCC)nc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,459.0
2612,CCCCC(CC)CN1c2ccc(/C=C(\C#N)C(=O)O)cc2N(CC(CC)CCCC)c2ccc(/C=C(\C#N)C(=O)O)cc21,C1CCOC1,508.0
5661,CCCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)c21,C1CCOC1,418.0
14867,c1cc2c3ccc[n+]4cccc(c5ccc[n+](c1)c25)c34,CC#N,422.0
14867,c1cc2c3ccc[n+]4cccc(c5ccc[n+](c1)c25)c34,CS(C)=O,432.0
14867,c1cc2c3ccc[n+]4cccc(c5ccc[n+](c1)c25)c34,C[N+](=O)[O-],424.0
14867,c1cc2c3ccc[n+]4cccc(c5ccc[n+](c1)c25)c34,O,422.0
4887,CCCCCCc1cc2/c(=C(\C#N)C(=O)OC)s/c(=c3/s/c(=C(/C#N)C(=O)OC)c4cc(CCCCCC)sc34)c2s1,Cc1ccccc1,580.0
5178,CCCCC[C@H](CC)N1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2Oc2cc(N(c3ccccc3)c3ccccc3)ccc21,C1CCOC1,483.0
12684,N#CC(=Cc1ccc(-c2ccc(C(=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)c3ccc(-c4ccc(C=C(C#N)C(=O)O)cc4)cc3)cc2)cc1)C(=O)O,CCO,404.0
2884,CCCCCCC1(CCCCCC)c2cc(-c3ccc(-n4c(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4/C=C(\C#N)C(=O)O)cc3)ccc2-c2ccc(-c3ccc(-n4c(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,444.0
2368,CCC1(CC)c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(/C=C(/C#N)C(=O)O)s5)ccc3-4)cc2-c2ccc(C(c3ccccc3)c3ccccc3)cc21,C1CCOC1,458.0
492,C=C1Cn2c3ccccc3c3cc(C(=O)OC)nc(c32)-c2nc3ccccc3n21,ClC(Cl)Cl,392.79
6923,CCOc1ccccc1-c1ccc(=O)n(-c2ccc(N(C)C)cc2)n1,CS(C)=O,375.0
7391,CN(C)c1ccc(-n2nc(-c3cccc(Cl)c3)ccc2=O)cc1,CS(C)=O,382.0
276,C(=C/c1nc(-c2ccccc2)c2ccccn12)\c1nc(-c2ccccc2)c2ccccn12,CC#N,438.0
15558,c1csc(-c2cccs2)c1,ClCCl,304.0
10176,C[Si](C)(C)[Si](c1ccc(-c2ccc([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)s2)s1)([Si](C)(C)C)[Si](C)(C)C,ClCCl,350.0
14134,O=Cc1ccc(-c2cccs2)s1,CC#N,350.0
5217,CCCCN(CCCC)c1ccc(-c2ccc(/C=C/C(C#N)C(=O)O)s2)s1,CC#N,478.0
7328,CN(C)c1ccc(-c2ccc(C#N)s2)s1,CCO,413.0
4650,CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc23)S1,CN(C)C=O,445.0
1895,CC1(C)c2ccccc2N(c2ccc3c(c2)Oc2ccccc2S3(=O)=O)c2ccccc21,Cc1ccccc1,356.0
13530,O=C(O)C1=C(C(=O)O)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,ClCCl,410.0
8186,COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,C1CCOC1,355.0
8186,COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,CC#N,355.0
8186,COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,CCCCCC,353.0
8186,COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,CCOCC,353.0
8186,COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,CO,357.0
8186,COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,ClCCl,359.0
8186,COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,c1ccccc1,356.0
15079,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1,Cc1ccccc1,360.0
217,C(=C/c1cc[n+]2ccc(/C=C/c3ccsc3)cc2c1)\c1ccsc1,CO,432.0
2746,CCCCC(CC)Cn1c2ccccc2c2cc(-c3sc4c(sc5c6sc7c(C(CC)CCCC)c(/C=C(\C#N)C(=O)O)sc7c6c6nccnc6c45)c3C(CC)CCCC)ccc21,C1CCOC1,586.0
5190,CCCCCc1c(/C=C(\C#N)C(=O)O)sc2c1sc1c3sc4c(CCCCC)c(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)sc4c3c3nccnc3c21,C1CCOC1,543.0
14900,c1cc2ccc3ccc4cc3c2cc1c1ccc2ccc3ccc(cc3c2c1)c1ccc2ccc3ccc4cc3c2c1,Cc1ccccc1,375.0
14145,O=Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CCOC(C)=O,587.0
14145,O=Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CN(C)C=O,589.0
14145,O=Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CO,583.0
14145,O=Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,Cc1ccccc1,597.0
14145,O=Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,ClCCl,593.5
11171,Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,C1CCCCC1,584.5
11171,Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,C1CCOC1,581.5
11171,Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CC#N,578.0
11171,Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CCOC(C)=O,579.5
11171,Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CN(C)C=O,581.5
11171,Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CO,578.0
11171,Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,Cc1ccccc1,588.0
11171,Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,ClCCl,583.5
12102,F[B-]1(F)n2c(cc3c4ccccc4oc32)C(c2ccccc2)=C2C=c3c(oc4ccccc34)=[N+]21,C1CCCCC1,586.0
12102,F[B-]1(F)n2c(cc3c4ccccc4oc32)C(c2ccccc2)=C2C=c3c(oc4ccccc34)=[N+]21,CCOC(C)=O,581.0
12102,F[B-]1(F)n2c(cc3c4ccccc4oc32)C(c2ccccc2)=C2C=c3c(oc4ccccc34)=[N+]21,CO,579.0
9439,COc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,C1CCCCC1,583.5
9439,COc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CCOC(C)=O,578.0
9439,COc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CO,576.5
4625,CCCCCCOc1ccc2oc3c(c2c1)=CC1=C(c2ccccc2C)c2cc4c5cc(OCCCCCC)ccc5oc4n2[B-](F)(F)[N+]=31,C1CCCCC1,592.0
4625,CCCCCCOc1ccc2oc3c(c2c1)=CC1=C(c2ccccc2C)c2cc4c5cc(OCCCCCC)ccc5oc4n2[B-](F)(F)[N+]=31,CCOC(C)=O,587.0
4625,CCCCCCOc1ccc2oc3c(c2c1)=CC1=C(c2ccccc2C)c2cc4c5cc(OCCCCCC)ccc5oc4n2[B-](F)(F)[N+]=31,CO,585.0
11598,Cc1ccccc1C1=C2C=c3c(oc4ccc(C(C)(C)C)cc34)=[N+]2[B-](F)(F)n2c1cc1c3cc(C(C)(C)C)ccc3oc12,C1CCCCC1,591.5
11598,Cc1ccccc1C1=C2C=c3c(oc4ccc(C(C)(C)C)cc34)=[N+]2[B-](F)(F)n2c1cc1c3cc(C(C)(C)C)ccc3oc12,CCOC(C)=O,587.5
11598,Cc1ccccc1C1=C2C=c3c(oc4ccc(C(C)(C)C)cc34)=[N+]2[B-](F)(F)n2c1cc1c3cc(C(C)(C)C)ccc3oc12,CO,586.0
11599,Cc1ccccc1C1=C2C=c3c(oc4ccc(F)cc34)=[N+]2[B-](F)(F)n2c1cc1c3cc(F)ccc3oc12,C1CCCCC1,581.5
11599,Cc1ccccc1C1=C2C=c3c(oc4ccc(F)cc34)=[N+]2[B-](F)(F)n2c1cc1c3cc(F)ccc3oc12,CCOC(C)=O,576.5
11599,Cc1ccccc1C1=C2C=c3c(oc4ccc(F)cc34)=[N+]2[B-](F)(F)n2c1cc1c3cc(F)ccc3oc12,CO,574.5
11600,Cc1ccccc1C1=C2C=c3c(oc4ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccccc3oc12,C1CCCCC1,586.5
11600,Cc1ccccc1C1=C2C=c3c(oc4ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccccc3oc12,CCOC(C)=O,582.0
11600,Cc1ccccc1C1=C2C=c3c(oc4ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccccc3oc12,CO,580.5
8240,COC(=O)[C@H](Cc1ccc2oc3c(c2c1)=CC1=C(c2ccc(OC)cc2)c2cc4c5cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)ccc5oc4n2[B-](F)(F)[N+]=31)NC(=O)OC(C)(C)C,C1CCCCC1,586.5
8240,COC(=O)[C@H](Cc1ccc2oc3c(c2c1)=CC1=C(c2ccc(OC)cc2)c2cc4c5cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)ccc5oc4n2[B-](F)(F)[N+]=31)NC(=O)OC(C)(C)C,CCOC(C)=O,581.5
8240,COC(=O)[C@H](Cc1ccc2oc3c(c2c1)=CC1=C(c2ccc(OC)cc2)c2cc4c5cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)ccc5oc4n2[B-](F)(F)[N+]=31)NC(=O)OC(C)(C)C,CO,580.0
14145,O=Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,C1CCCCC1,592.5
14145,O=Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,C1CCOC1,589.0
14145,O=Cc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CC#N,585.5
4674,CCCCCC[N+]1=C(/C=C2/C(=O)C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CC#N,674.0
5596,CCCCc1cc2cccc[n+]2[b-]2ccc(-c3cc[b-]4c(c3)c(CCCC)cc3cccc[n+]43)cc21,C1CCCCC1,512.0
2555,CCCCC#Cc1cccc2cc(CCCC)c3cc(-c4cc[b-]5c(c4)c(CCCC)cc4cccc(C#CCCCC)[n+]54)cc[b-]3[n+]12,C1CCCCC1,523.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,ClC(Cl)Cl,649.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,ClCCl,648.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,N#Cc1ccccc1,655.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,O,654.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,c1ccccc1,655.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,C1COCCO1,647.0
6304,CCN(CCCS(=O)(=O)[O-])c1ccc2nc3cc/c(=[N+](/C)CCC(=O)O)cc-3oc2c1,CCO,635.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,643.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1,662.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CCCCCc1ccc(-c2ccc(C#N)cc2)cc1,662.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CCCCc1ccc(/N=C/c2ccc(OC)cc2)cc1,659.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CCOCC,645.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CO,643.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CS(C)=O,655.0
6263,CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,Cc1ccccc1,653.0
3908,CCCCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,423.0
2719,CCCCC(CC)Cn1c2cc(C#N)ccc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)cc21,ClCCl,398.0
12955,N#Cc1c(-n2nnc3c2-c2ccccc2CN(C(=O)CCN)c2ccccc2-3)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12,CO,290.0
15322,c1ccc(Oc2cc3c4c([o+]c(-c5ccccc5)c(-c5ccccc5)c4c2)N2C(c4ccccc4)=C(c4ccccc4)c4ccccc4C2=C3c2ccccc2)cc1,ClCCl,476.0
7157,CCn1c2ccccc2c2c(N(c3ccccc3)c3ccccc3)cccc21,ClCCl,357.0
5905,CCCn1c2cccc3oc4cccc5oc6cccc1c6[c+](c45)c32,CC#N,541.0
14016,O=C1O[B-]2(OC1=O)OC(c1ccccc1)=CC(c1ccc3ccccc3c1)=[O+]2,CC#N,435.0
14016,O=C1O[B-]2(OC1=O)OC(c1ccccc1)=CC(c1ccc3ccccc3c1)=[O+]2,ClC(Cl)(Cl)Cl,435.0
4308,CCCCCCOc1ccc(-n2c3cc(C=C(C#N)C(=O)O)sc3c3sc(-c4sc(-c5ccc6c(c5)C5CCCC5N6c5ccc(C)cc5)c5c4OCCO5)cc32)cc1,ClCCl,570.0
4478,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5sc(C=C(C#N)C(=O)O)cc5C5CCCCC5)c5nsnc45)s3)cc2)cc1,ClCCl,516.0
4427,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc5c(CCCCCC)c(/C=C(\C#N)C(=O)O)sc5c3n4-c3ccc(OCCCCCC)cc3)cc2)cc1,ClCCl,508.0
15499,c1ccc2cc3c(cc2c1)cc1ccc2c4ccccc4cc4ccc3c1c42,Cc1ccccc1,516.0
2292,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21,C1CCOC1,468.0
1780,CC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)c4ccccc43)cc21,CCO,433.0
11162,Cc1ccc(C2=C3C=CC(n4ncc5ccccc54)=[N+]3[B-](F)(F)n3c2ccc3-n2ncc3ccccc32)cc1,ClCCl,546.0
12571,N#C/C(=C\c1ccc(N(c2ccccn2)c2ccccn2)cc1)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)s1,CN(C)C=O,468.0
3604,CCCCCCCCOc1ccc(OCCCCCCCC)c(/C=C/C2=[N+]3C(=C4c5ccc(/C=C/c6cc(OCCCCCCCC)ccc6OCCCCCCCC)n5[B-](F)(F)[n+]5c4n(c4ccccc45)[B-]3(F)F)C=C2)c1,ClCCl,784.0
3480,CCCCCCCCOc1cc(/C=C/C2=[N+]3C(=C4c5ccc(/C=C/c6cc(OCCCCCCCC)c(C=O)cc6OCCCCCCCC)n5[B-](F)(F)[n+]5c4n(c4ccccc45)[B-]3(F)F)C=C2)c(OCCCCCCCC)cc1C=O,ClCCl,783.0
6507,CCOC(=O)/C(=C/c1ccc(N2CCOCC2)cc1)n1nc2ccccc2n1,CO,372.0
13017,N#Cc1c(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21,Cc1ccccc1,369.0
4412,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(/C=C(\C#N)C(=O)O)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1CCOC1,492.0
1412,CC(C)[Si](C#Cc1c2ccc(C(C)(C)C)cc2c(C#Cc2c3ccc(C(C)(C)C)cc3c(C#Cc3c4ccc(C(C)(C)C)cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4ccc(C(C)(C)C)cc34)c3ccc(C(C)(C)C)cc23)c2ccc(C(C)(C)C)cc12)(C(C)C)C(C)C,Cc1ccccc1,570.0
10754,Cc1cc(C)c([B-]2(c3c(C)cc(C)cc3C)[O+]=P(c3ccccc3)(c3ccccc3)c3ccsc3-c3sccc32)c(C)c1,C1CCOC1,345.0
4895,CCCCCCc1cc2c(s1)-c1sc(CCCCCC)cc1P(c1ccccc1)(c1ccccc1)=[O+][B-]2(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C,C1CCOC1,431.0
2506,CCCC1(CCC)c2cc(-c3cccc(Cc4ccc(/C=C/c5ccccc5)cc4)c3)ccc2-c2ccc(-c3cccc(Cc4ccc(/C=C/c5ccccc5)cc4)c3)cc21,C1CCCCC1,327.0
7533,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc(/C=C5\SC(=S)N(CC(=O)O)C5=O)cc4)cc3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,483.0
13696,O=C(O)c1ccc(-c2c3nc(c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nc(c(-c5ccc(C(=O)O)cc5)c5ccc2s5)C=C4)C=C3)cc1,C1CCOC1,429.0
11286,Cc1ccc(N2c3cc(-c4ccc(C=C5C(=O)NC(=S)NC5=O)s4)ccc3C3CCCC32)cc1,ClCCl,615.0
1835,CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4cc(/C=C/c5ccc(/C=C(/C#N)C(=O)O)s5)sc4c3)cc21,CCO,476.0
13008,N#Cc1c(N2CCCCC2)cc(-c2cccc3ccccc23)c2c1C(=O)c1ccccc1-2,C1CCOC1,344.0
8436,COC(=O)c1ccn2c(NCCN3CCOCC3)c(/C=C/c3ccc(OC)cc3)nc2c1,CS(C)=O,384.0
3409,CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc5c6c(cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,606.0
4145,CCCCCCN1c2ccccc2Sc2cc(C=Cc3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)ccc21,ClCCl,490.0
3450,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)ccc21,ClCCl,496.0
9622,COc1ccc(N2c3ccc(-c4cc5sc6cc(C=C(C#N)C(=O)O)sc6c5s4)cc3C3CCCC32)cc1,C1COCCO1,485.0
9622,COc1ccc(N2c3ccc(-c4cc5sc6cc(C=C(C#N)C(=O)O)sc6c5s4)cc3C3CCCC32)cc1,CCO,485.0
11287,Cc1ccc(N2c3ccc(-c4cc5sc6cc(C=C(C#N)C(=O)O)sc6c5s4)cc3C3CCCC32)cc1,CCO,481.0
11287,Cc1ccc(N2c3ccc(-c4cc5sc6cc(C=C(C#N)C(=O)O)sc6c5s4)cc3C3CCCC32)cc1,C1COCCO1,481.0
1292,CC(C)(C)c1ccc2ccc3cc(-c4ccc5c(-c6ccc7c(ccc8ccc(C(C)(C)C)cc87)c6)cc6c7cc(-c8ccc9c(ccc%10ccc(C(C)(C)C)cc%109)c8)ccc7c(-c7ccc8c(ccc9ccc(C(C)(C)C)cc98)c7)cc6c5c4)ccc3c2c1,ClCCl,303.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,C1COCCO1,498.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CC#N,506.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CCO,511.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CCOC(C)=O,504.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CN(C)C=O,528.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CO,512.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CS(C)=O,525.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,Cc1ccccc1,501.0
6211,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,ClCCl,509.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,C1COCCO1,561.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CC#N,597.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CCO,602.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CCOC(C)=O,568.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CN(C)C=O,525.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CO,591.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CS(C)=O,531.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,Cc1ccccc1,560.0
6099,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,ClCCl,611.0
14198,O=P1(c2ccccc2)c2cc(N3c4ccccc4Sc4ccccc43)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,Cc1ccccc1,399.0
13639,O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)SC1=S,C1CCOC1,394.0
12490,N#C/C(=C\c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)s1)C(=O)O,C1CCOC1,400.0
15457,c1ccc2c(c1)cc1c3ccccc3c3ccccc3n21,CC#N,359.0
11462,Cc1ccc2c3ccccc3c3cc4ccccc4n3c2c1,CC#N,363.0
12356,N#C/C(=C\c1cc2c3c(c1)CCCN3CCC2)C(=O)O,CCO,430.0
56,C#C/C(=C/c1cc2c3c(c1)CCCN3CCC2)C(=O)O,CN(C)C=O,441.0
57,C#C/C(=C/c1cc2c3c(c1)CCCN3CCC2)C(=O)[O-],CN(C)C=O,375.0
11601,Cc1ccccc1C1=c2cc3c(cc2[Si](C)(C)c2cc4c(cc21)CCCN4C)=[N+](C)CCC3,O,674.0
10237,C[Si]1(C)c2cc3c(cc2C(c2ccccc2C(=O)O)=c2cc4c(cc21)=[NH+]CCC4)CCCN3,O,637.0
15144,c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccccc45)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,397.0
11956,FC(F)(F)c1cc2n(n1)[B-](c1ccccc1)(c1ccccc1)[n+]1ccc3ccccc3c1-2,C1CCCCC1,379.0
11956,FC(F)(F)c1cc2n(n1)[B-](c1ccccc1)(c1ccccc1)[n+]1ccc3ccccc3c1-2,Cc1ccccc1,377.0
11956,FC(F)(F)c1cc2n(n1)[B-](c1ccccc1)(c1ccccc1)[n+]1ccc3ccccc3c1-2,ClCCl,373.0
11406,Cc1ccc([B-]2(c3ccc(C)cc3)n3nc(C(F)(F)F)cc3-c3c4ccccc4cc[n+]32)cc1,Cc1ccccc1,377.0
11406,Cc1ccc([B-]2(c3ccc(C)cc3)n3nc(C(F)(F)F)cc3-c3c4ccccc4cc[n+]32)cc1,ClCCl,373.0
11406,Cc1ccc([B-]2(c3ccc(C)cc3)n3nc(C(F)(F)F)cc3-c3c4ccccc4cc[n+]32)cc1,C1CCCCC1,377.0
11614,Cc1ccccc1[B-]1(c2ccccc2C)n2nc(C(F)(F)F)cc2-c2c3ccccc3cc[n+]21,C1CCCCC1,374.0
11614,Cc1ccccc1[B-]1(c2ccccc2C)n2nc(C(F)(F)F)cc2-c2c3ccccc3cc[n+]21,Cc1ccccc1,380.0
11614,Cc1ccccc1[B-]1(c2ccccc2C)n2nc(C(F)(F)F)cc2-c2c3ccccc3cc[n+]21,ClCCl,374.0
14434,O=c1c(-c2cccc3ccccc23)coc2cc(O)ccc12,O,288.0
4788,CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1C=C1C(=C(C#N)C#N)c2cc(C(=O)O)ccc2S1(=O)=O,ClC(Cl)Cl,750.0
14926,c1ccc(-c2c3c(c(-c4ccccc4)c4c2-c2ccccc2C4)-c2ccccc2C3)cc1,C1CCCCC1,329.0
2802,CCCCC1(c2ccccc2)Nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2N=C1c1ccccc1,ClC(Cl)Cl,370.0
10014,COc1nc(Nc2ccc3ccc4cccc5ccc2c3c45)nc(OC)n1,CC#N,340.0
10014,COc1nc(Nc2ccc3ccc4cccc5ccc2c3c45)nc(OC)n1,CCCCOCCCC,341.0
10014,COc1nc(Nc2ccc3ccc4cccc5ccc2c3c45)nc(OC)n1,CO,340.0
11804,Clc1nc(Cl)nc(Nc2ccc3ccc4cccc5ccc2c3c45)n1,CC#N,341.0
11804,Clc1nc(Cl)nc(Nc2ccc3ccc4cccc5ccc2c3c45)n1,CCCCOCCCC,341.0
11804,Clc1nc(Cl)nc(Nc2ccc3ccc4cccc5ccc2c3c45)n1,CO,340.0
14211,O=S(=O)(O)c1ccc(Oc2cccc3c2C2=N/C3=N\c3c4c(Oc5ccc(S(=O)(=O)O)cc5)cccc4c4n3[Zn]n3/c(c5cccc(Oc6ccc(S(=O)(=O)O)cc6)c5/c3=N/C3=N/C(=N\4)c4c(Oc5ccc(S(=O)(=O)O)cc5)cccc43)=N\2)cc1,CS(C)=O,695.0
4599,CCCCCCOc1ccc(N2C3C4SC(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C(CCCCCC)C4SC3C3SC4C(CCCCCC)C(c5ccc(/C=C(/C#N)C(=O)O)c6nsnc56)SC4C32)cc1,ClCCl,491.0
3977,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6ccc(C)cc6)n(-c6ccccc6)n5)s4)ccc(c23)C1=O,ClCCl,402.0
3979,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6ccc(Cl)cc6)n(-c6ccccc6)n5)s4)ccc(c23)C1=O,ClCCl,402.0
3981,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6ccc(OC)cc6)n(-c6ccccc6)n5)s4)ccc(c23)C1=O,ClCCl,403.0
3983,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6ccccc6)n(-c6ccccc6)n5)s4)ccc(c23)C1=O,ClCCl,400.0
1712,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCCCC1,486.0
1712,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,491.0
1712,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC(C)=O,497.0
1712,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,CS(C)=O,511.0
1712,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,486.0
1712,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,503.0
1712,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,503.0
8852,COc1cc2c(cc1F)c(=O)c1cc(F)c(OC)cc1n2Cc1ccccc1,CCO,381.0
14460,O=c1c2cc(F)c(O)cc2n(Cc2ccccc2)c2cc(O)c(F)cc12,CCO,381.0
8935,COc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)cc1,O,485.0
8936,COc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)cc1OC,O,486.0
10766,Cc1cc(C)cc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)c1,O,480.0
9873,COc1cccc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)c1,O,490.0
10898,Cc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)cc1,O,485.0
7641,CN(C)c1ccc2c(-c3ccc(C(C)(C)C)cc3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,480.0
10035,CSc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)cc1,O,485.0
8612,COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)cc1C,O,480.0
5881,CCCc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)cc1,O,485.0
7648,CN(C)c1ccc2c(-c3ccc(F)c(Cl)c3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,495.0
7650,CN(C)c1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,490.0
10381,Cc1cc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)ccc1F,O,482.5
7663,CN(C)c1ccc2c(-c3cccc(Cl)c3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,485.0
7665,CN(C)c1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,485.0
7669,CN(C)c1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,485.0
6055,CCN(CC)c1ccc2c(-c3ccc(C)cc3)c3ccc(=[NH2+])cc-3[nH]c2c1,O,480.0
6056,CCN(CC)c1ccc2c(-c3ccc(F)c(C)c3)c3ccc(=[NH2+])cc-3[nH]c2c1,O,480.0
7297,CN(C)c1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)cc1,O,480.0
6062,CCN(CC)c1ccc2c(-c3cccc(OC)c3)c3ccc(=[NH2+])cc-3[nH]c2c1,O,490.0
3846,CCCCCCCCn1c2ccccc2c2cc(-c3sc(-c4nc(CCCCCC)c(-c5ccc(C=C(C#N)C(=O)O)s5)s4)nc3CCCCCC)ccc21,ClCCl,456.0
4796,CCCCCCc1cc(-c2ccc3c(c2)Sc2cc(-c4cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s4)ccc2N3C[C@@H](CC)CCCC)sc1/C=C(/C#N)C(=O)O,C1CCOC1,475.0
4026,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,CN(C)C=O,482.0
5543,CCCC[C@H](CC)CN1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,469.0
11954,FC(F)(F)c1cc2c3c([n+]4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c4c(-c4ccccc4)c3c1)OC(c1ccccc1)=C2c1ccccc1,ClCCl,518.0
15209,c1ccc(C2=C(c3ccccc3)c3cccc4c(-c5ccccc5)c5c6ccccc6c(-c6ccccc6)c(-c6ccccc6)[n+]5c(c34)O2)cc1,ClCCl,501.0
14118,O=Cc1cc2c3c([n+]4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c4c(-c4ccccc4)c3c1)OC(c1ccccc1)=C2c1ccccc1,ClCCl,548.0
9410,COc1ccc(C2=C(c3ccc(OC)cc3)c3cc([N+](=O)[O-])cc4c(-c5ccc(OC)cc5)c5c6ccc(OC)cc6c(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)[n+]5c(c34)O2)cc1,ClCCl,587.0
9411,COc1ccc(C2=C(c3ccc(OC)cc3)c3cccc4c(-c5ccc(OC)cc5)c5c6ccc(OC)cc6c(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)[n+]5c(c34)O2)cc1,ClCCl,492.0
14289,O=[N+]([O-])c1cc2c3c([n+]4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c4c(-c4ccccc4)c3c1)OC(c1ccccc1)=C2c1ccccc1,ClCCl,559.0
11774,Clc1ccc(C2=C(c3ccc(Cl)cc3)c3cccc4c(-c5ccc(Cl)cc5)c5c6ccc(Cl)cc6c(-c6ccc(Cl)cc6)c(-c6ccc(Cl)cc6)[n+]5c(c34)O2)cc1,ClCCl,503.0
8865,COc1cc2c3c([n+]4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c4c(-c4ccccc4)c3c1)OC(c1ccccc1)=C2c1ccccc1,ClCCl,468.0
8326,COC(=O)c1cc2c3c([n+]4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c4c(-c4ccccc4)c3c1)OC(c1ccccc1)=C2c1ccccc1,ClCCl,534.0
2306,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,ClCCl,464.0
3710,CCCCCCCC[N+]=1c2ccc(C(=O)O)cc2C(C)(C)C1/C=C1\C(=O)C(c2ccc(-c3ccc(-c4ccc5c(c4)Sc4cc(OCC(CC)CCCC)ccc4N5CCCCCC)s3)s2)=C1[O-],C1CCOC1,667.0
2634,CCCCC(CC)COc1c(OCC(CC)CCCC)c2c3sc(-c4ccc5c(c4)c4ccc(-c6cc7sc8c9sc%10cc(/C=C(/C#N)C(=O)O)sc%10c9c(OCC(CC)CCCC)c(OCC(CC)CCCC)c8c7s6)cc4n5CC(CC)CCCC)cc3sc2c2sc3cc(/C=C(/C#N)C(=O)O)sc3c12,C1CCOC1,467.0
5723,CCCCn1c2ccc(-c3ccc4c(c3)c3c5c(ccc6ccc7ccccc7c65)ccc3n4CCCC)cc2c2c3c(ccc4ccc5ccccc5c43)ccc21,ClCCl,336.0
9129,COc1ccc(-c2nc(C)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,CN(C)C=O,341.0
9129,COc1ccc(-c2nc(C)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,ClC(Cl)Cl,341.0
9129,COc1ccc(-c2nc(C)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,C1CCOC1,340.0
1756,CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(/C=C\C=C(C#N)C(=O)O)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21,CCO,438.0
3891,CCCCCCCCn1nc2c(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(CC)CC)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1,C1CCOC1,431.0
222,C(=C/c1ccc(-c2ccccc2)cc1)\c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(/C=C/c4ccc(-c5ccccc5)cc4)cc3)ccc3ccccc23)cc1,ClCCl,328.0
9215,COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,ClC(Cl)Cl,331.0
9215,COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,CC#N,328.0
9215,COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,CCCCCC,332.0
9215,COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,CCO,328.0
9215,COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,CN(C)C=O,334.0
4371,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc(OCCCCCC)c(C#Cc3c(CCCCCC)cc(-c4ccc(C(=O)O)cc4)c4nsnc34)cc2OCCCCCC)cc1,CCO,468.0
10596,Cc1cc(/C=C/c2ccsc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
10597,Cc1cc(/C=C/c2ccsc2C=O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,572.0
7311,CN(C)c1ccc(-c2cc3c(ccc4c([N+](=O)[O-])cccc43)c(=O)o2)cc1,CCOC(C)=O,435.0
7311,CN(C)c1ccc(-c2cc3c(ccc4c([N+](=O)[O-])cccc43)c(=O)o2)cc1,CO,439.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CC(C)=O,390.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCCCCC,388.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCCCCCCCO,393.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCCCO,392.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCCO,391.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCO,392.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCOC(C)=O,389.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CN(C)C=O,394.0
6265,CCN(CC)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CO,391.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CC(C)=O,392.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCCCCCCCO,395.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCCCO,394.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCCO,393.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCO,393.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CCOC(C)=O,393.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CN(C)C=O,395.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,CO,391.0
7771,CN(C)c1cccc2c1ccc1c(=O)oc(-c3ccc(C(F)(F)F)cc3)cc12,ClC(Cl)Cl,395.0
6976,CC[N+]1(CC)CN2C(C)=CC(C)=C(C(=O)O)C2=N1,CN(C)C=O,346.0
6976,CC[N+]1(CC)CN2C(C)=CC(C)=C(C(=O)O)C2=N1,O,343.0
6977,CC[N+]1(CC)CN2C(C)=CC(C)=C(C(=O)[O-])C2=N1,CN(C)C=O,361.0
6977,CC[N+]1(CC)CN2C(C)=CC(C)=C(C(=O)[O-])C2=N1,O,338.0
2916,CCCCCCC1(CCCCCC)c2cc(C#Cc3ccc(C4=[N+]5C(=Nc6c(-c7ccccc7)cc(-c7ccc(C#Cc8ccc9c(c8)C(CCCCCC)(CCCCCC)c8cc([N+](=O)[O-])ccc8-9)cc7)n6[B-]5(F)F)C(c5ccccc5)=C4)cc3)ccc2-c2ccc([N+](=O)[O-])cc21,ClCCl,694.0
2637,CCCCC(CC)COc1cc(OCC(CC)CCCC)c2c#cc3ccc4oc5ccc(c#cc6cc(c#cc7ccc8oc9ccc(c#cc1c2)cc9c8c7)c(C(CCCC)OCCC)cc6C(CCCC)OCCC)cc5c4c3,ClCCl,328.0
1005,CC(C)(C)c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc(C(C)(C)C)cc5)c(C#N)s4)s3)sc2C#N)cc1,ClCCl,392.0
4147,CCCCCCNC(=O)c1sc(-c2ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)c(C(=O)NCCCCCC)s3)s2)cc1-c1ccc(C(C)(C)C)cc1,ClCCl,392.0
4876,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1cc(CCCCCC)c(-c2cc(CCCCCC)c(-c3cc4c(cc(-c5ccccc5)c5c6ccccc6n(CC)c45)s3)s2)s1,ClC(Cl)Cl,476.0
3801,CCCCCCCCn1c(=O)c2cc3cc4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4c(C#Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)c3cc2c1=O,ClC(Cl)Cl,515.0
13871,O=C1/C(=C2\Sc3ccc(S(=O)(=O)Nc4ccccc4)cc3C2=O)Sc2ccc(S(=O)(=O)Nc3ccccc3)cc21,C1COCCO1,534.0
13871,O=C1/C(=C2\Sc3ccc(S(=O)(=O)Nc4ccccc4)cc3C2=O)Sc2ccc(S(=O)(=O)Nc3ccccc3)cc21,CN(C)C=O,542.0
13871,O=C1/C(=C2\Sc3ccc(S(=O)(=O)Nc4ccccc4)cc3C2=O)Sc2ccc(S(=O)(=O)Nc3ccccc3)cc21,CO,536.0
13871,O=C1/C(=C2\Sc3ccc(S(=O)(=O)Nc4ccccc4)cc3C2=O)Sc2ccc(S(=O)(=O)Nc3ccccc3)cc21,CS(C)=O,546.0
12402,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(C=Cc7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5c5cc(-c6ccc(C=Cc7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)ccc54)s3)c3nsnc23)s1)C(=O)O,CN(C)C=O,488.0
7135,CCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2cc(-c3ccc(-c4ccc(N(c5ccc(-c6cccs6)cc5)c5ccc(-c6cccs6)cc5)cc4)s3)ccc21,ClC(Cl)Cl,379.0
14849,c1cc2c3c(c1)-c1cccc4ccn(c14)B3n1ccc3cccc-2c31,ClCCl,349.0
14849,c1cc2c3c(c1)-c1cccc4ccn(c14)B3n1ccc3cccc-2c31,C1CCOC1,385.0
12162,Fc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1/C=C/C(=C(c1ccccc1)c1ccccc1)c1ccccc1,Cc1ccccc1,360.0
6185,CCN(CC)c1ccc2cc(-c3ccc(-c4ccc5ccc6c(-c7ccc(-c8cc9ccc(N(CC)CC)cc9oc8=O)cc7)ccc7ccc4c5c76)cc3)c(=O)oc2c1,ClC(Cl)Cl,412.0
3006,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=C(C#N)C(=O)O)cc21,C1CCOC1,389.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,C1CCOC1,377.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,C1COCCO1,383.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CC#N,375.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CC(C)=O,389.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CCCCCC,378.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CCOC(C)=O,381.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CN(C)C=O,382.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CS(C)=O,382.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,Cc1ccccc1,387.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,ClC(Cl)Cl,375.0
3007,CCCCCCCCC1(CCCCCCCC)c2cc(C#CC#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,ClCCl,365.0
9642,COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2)C(c2ccccc2O)c2c(C)[nH]c3ccccc23)cc1,CS(C)=O,266.0
9641,COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2)C(c2cc(F)ccc2O)c2c[nH]c3ccc(OC)cc23)cc1,CS(C)=O,262.0
9642,COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2)C(c2ccccc2O)c2c(C)[nH]c3ccccc23)cc1,CO,258.0
690,CC(=O)c1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CC#N,392.0
690,CC(=O)c1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CO,388.0
13119,N#Cc1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,C1COCCO1,395.0
13119,N#Cc1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CC#N,387.0
13119,N#Cc1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CO,381.0
7403,CN(C)c1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CC#N,349.0
7403,CN(C)c1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CO,343.0
7403,CN(C)c1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,C1COCCO1,352.0
9250,COc1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,C1COCCO1,354.0
9250,COc1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CC#N,352.0
9250,COc1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CO,342.0
15195,c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(-c4nc5c(-c6ccc(-c7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)cc6)sc(-c6ccc(-c7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)cc6)c5nc4-c4ccc(-c5ccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2ccccc2)cc1,ClCCl,520.0
15195,c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(-c4nc5c(-c6ccc(-c7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)cc6)sc(-c6ccc(-c7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)cc6)c5nc4-c4ccc(-c5ccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2ccccc2)cc1,Cc1ccccc1,530.0
12988,N#Cc1c(N2CCCC2)cc(-c2ccccc2)c2c1-c1ccccc1C2,C1CCOC1,353.0
7324,CN(C)c1ccc(-c2ccc(/C=C(\C#N)c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,CN(C)C=O,447.0
404,C1=C(c2ccccn2)[Si](c2ccccc2)(c2ccccc2)c2ccccc21,ClCCl,339.0
11344,Cc1ccc(N2c3ccc(/C=C/c4ccc(Nc5ncc(/C=C(\C#N)C(=O)O)cn5)cc4C#N)cc3C3CCCC32)cc1,Cc1ccccc1,434.0
11343,Cc1ccc(N2c3ccc(/C=C/c4ccc(Nc5ncc(/C=C(\C#N)C(=O)O)cn5)cc4)cc3C3CCCC32)cc1,ClCCl,388.0
13464,Nc1ncnc2c1c(C#Cc1ccc3ccccc3c1)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,CC#N,318.0
13464,Nc1ncnc2c1c(C#Cc1ccc3ccccc3c1)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,CCO,318.0
13464,Nc1ncnc2c1c(C#Cc1ccc3ccccc3c1)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,CCOC(C)=O,318.0
705,CC(=O)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CC#N,344.0
705,CC(=O)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CCO,346.0
705,CC(=O)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CCOC(C)=O,347.0
705,CC(=O)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CO,344.0
705,CC(=O)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,ClC(Cl)Cl,345.0
13464,Nc1ncnc2c1c(C#Cc1ccc3ccccc3c1)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,CO,315.0
13464,Nc1ncnc2c1c(C#Cc1ccc3ccccc3c1)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,ClC(Cl)Cl,319.0
13179,N#Cc1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CC#N,345.0
13179,N#Cc1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CCO,345.0
13179,N#Cc1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CCOC(C)=O,345.0
13179,N#Cc1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CO,345.0
13179,N#Cc1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,ClC(Cl)Cl,345.0
7722,CN(C)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CC(C)O,333.0
7722,CN(C)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CCO,334.0
7722,CN(C)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CCOC(C)=O,333.0
7722,CN(C)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CO,336.0
7722,CN(C)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,C1CCOC1,335.0
7722,CN(C)c1ccc2cc(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c4ncnc(N)c34)ccc2c1,CC#N,336.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,Cc1ccc(C)cc1,396.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,ClC(Cl)(Cl)Cl,401.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,ClC(Cl)Cl,401.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,c1ccccc1,395.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,C1CCOC1,395.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,CC#N,389.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,CC(C)=O,391.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,CCCCCC,393.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,CCO,390.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,CCOC(C)=O,390.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,CO,382.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,CS(C)=O,391.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,Cc1ccc(C)cc1,392.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,ClC(Cl)(Cl)Cl,395.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,ClC(Cl)Cl,395.0
987,CC(C)(C)c1cc2ccc3cccc4c3c2c(c1)c1nc2c3cc(C(C)(C)C)cc5ccc6cccc(c(=O)n2c41)c6c53,c1ccccc1,395.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,C1CCOC1,395.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,CC#N,394.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,CC(C)=O,395.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,CCCCCC,399.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,CCO,395.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,CCOC(C)=O,393.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,CO,382.0
982,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c3c2c(c1)c(=O)n1c4nc2c3cc(C(C)(C)C)cc4ccc5cc(C(C)(C)C)cc(c5c43)c21,CS(C)=O,394.0
4960,CCCCCCc1ccc2c(/C=N/c3ccc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc3)c(O)ccc2c1,ClCCl,493.0
4960,CCCCCCc1ccc2c(/C=N/c3ccc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc3)c(O)ccc2c1,C1CCOC1,497.0
4960,CCCCCCc1ccc2c(/C=N/c3ccc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc3)c(O)ccc2c1,CC#N,487.0
4960,CCCCCCc1ccc2c(/C=N/c3ccc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc3)c(O)ccc2c1,Cc1ccccc1,498.0
6156,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3c(C)c4oc(=O)c5c(=O)oc6cc(N(CC)CC)ccc6c5c4cc3c12,CS(C)=O,463.0
6156,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3c(C)c4oc(=O)c5c(=O)oc6cc(N(CC)CC)ccc6c5c4cc3c12,ClCCl,458.0
7454,CN(C)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1,C1CCCCC1,402.0
7454,CN(C)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1,CC#N,409.0
11975,FC(F)(F)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1,CC#N,369.0
11975,FC(F)(F)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1,C1CCCCC1,375.0
12072,F[B-]1(F)n2c(Cl)c(Cl)c(Br)c2C(Oc2ccccc2)=C2C(Br)=C(Cl)C(Cl)=[N+]21,ClCCl,532.0
13223,N#Cc1nc2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3c2nc1C#N,Cc1ccccc1,418.0
10435,Cc1cc(/C=C/C=C(c2ccccc2)c2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,578.0
3283,CCCCCCCCCCN1c2ccccc2Sc2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)o5)cc4s3)ccc21,CN(C)C=O,413.0
14369,O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C#Cc3ccc4ccc5ccc(C#Cc6ccc(NS(=O)(=O)c7ccc([N+](=O)[O-])cc7[N+](=O)[O-])cc6)c6ccc3c4c56)cc2)c([N+](=O)[O-])c1,CO,402.0
7531,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)s2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,496.0
4687,CCCCCCc1c(/C=C(/C#N)C(=O)O)sc2c(CCCCCC)c(-c3sc4c(CCCCCC)c(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)sc4c3CCCCCC)sc12,C1CCOC1,372.0
257,C(=C/c1cccnc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCCCCC,358.0
257,C(=C/c1cccnc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,367.0
4359,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4)cc3)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)cc2)cc1,C1CCOC1,460.0
12470,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2)s1)C(=O)O,CC#N,406.0
7700,CN(C)c1ccc2c(c1)OC(c1ccccc1)=C/C2=C\C=C\c1cc(-c2ccccc2)[o+]c2cc(N(C)C)ccc12,ClCCl,746.0
355,C(S/C=C/c1ccc(/C=C/SC=C(c2ccccc2)c2ccccc2)cc1)=C(c1ccccc1)c1ccccc1,ClCCl,366.0
2170,CC1=c2ccccc2=[N+]2C1=Cc1c3ccccc3c(-c3[nH]c4ccccc4c3C)n1[B-]2(F)F,ClCCl,611.0
2063,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(OCc1ccccc1)OCc1ccccc1,ClC(Cl)Cl,506.0
13496,O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1,C1CCOC1,338.0
13496,O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1,CC#N,339.0
13496,O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1,CC(C)=O,350.0
13496,O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1,CCO,345.0
13496,O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1,CN(C)C=O,380.0
13496,O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1,CS(C)=O,342.0
13496,O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1,ClCCl,340.0
13498,O=C(N/N=C/c1ccccc1O)c1ccccc1,C1CCOC1,334.0
13498,O=C(N/N=C/c1ccccc1O)c1ccccc1,CC#N,333.0
13498,O=C(N/N=C/c1ccccc1O)c1ccccc1,CC(C)=O,415.0
13498,O=C(N/N=C/c1ccccc1O)c1ccccc1,CCO,400.0
13498,O=C(N/N=C/c1ccccc1O)c1ccccc1,CN(C)C=O,397.0
13498,O=C(N/N=C/c1ccccc1O)c1ccccc1,CS(C)=O,329.0
13498,O=C(N/N=C/c1ccccc1O)c1ccccc1,ClCCl,330.0
13499,O=C(N/N=C/c1ccccc1O)c1ccccc1O,C1CCOC1,334.0
13499,O=C(N/N=C/c1ccccc1O)c1ccccc1O,CC#N,335.0
13499,O=C(N/N=C/c1ccccc1O)c1ccccc1O,CC(C)=O,331.0
13499,O=C(N/N=C/c1ccccc1O)c1ccccc1O,CCO,400.0
13499,O=C(N/N=C/c1ccccc1O)c1ccccc1O,CN(C)C=O,412.0
13499,O=C(N/N=C/c1ccccc1O)c1ccccc1O,CS(C)=O,385.0
13499,O=C(N/N=C/c1ccccc1O)c1ccccc1O,ClCCl,335.0
2610,CCCCC(CC)CN1c2ccc(-c3ccc4c5nc6ccccc6nc5n(CC(CC)CCCC)c4c3)cc2Sc2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc21,ClCCl,456.0
10789,Cc1cc(C)n2c1C=[N+]1[N+](=C3C=NC=CN3[B-]1(F)F)[B-]2(F)F,ClCCl,467.0
13651,O=C(O)CN1C(=O)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,CC#N,459.0
14084,O=C1c2ccccc2C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)N12,CCO,450.0
14084,O=C1c2ccccc2C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)N12,Cc1ccccc1,458.0
14084,O=C1c2ccccc2C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)N12,ClCCl,454.0
10867,Cc1cc2ccccc2c2c1c1ccccc1n2C,ClCCl,300.0
10868,Cc1cc2ccccc2c2c1c1ccccc1n2C(=O)OC(C)(C)C,ClCCl,300.0
10862,Cc1cc2ccccc2c2[nH]c3ccccc3c12,ClCCl,300.0
9938,COc1cccc2cc(C)c3c4ccccc4[nH]c3c12,ClCCl,360.0
9939,COc1cccc2cc(C)c3c4ccccc4n(C)c3c12,ClCCl,370.0
5192,CCCCCc1c(C)c2c3ccccc3[nH]c2c2ccccc12,ClCCl,302.0
11558,Cc1cccc2cc(C)c3c4ccccc4[nH]c3c12,ClCCl,296.0
12862,N#CC(C#N)=Cc1ccc2c(c1)[nH]c1c3ccccc3ccc21,ClCCl,436.0
9755,COc1ccc2c(c1)cc(C)c1c3ccccc3[nH]c21,ClCCl,305.0
10321,Cc1c(C)c2c3ccccc3[nH]c2c2ccccc12,ClCCl,302.0
6213,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CC(C)=O,514.0
6213,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CCOC(C)=O,500.0
6213,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CN(C)C=O,528.0
6213,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CS(C)=O,534.0
6213,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,Cc1ccccc1,510.0
6213,CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,ClCCl,522.0
7889,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccno3)cc2)cc1,CS(C)=O,433.0
5662,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,C1CCOC1,451.0
5662,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,CC#N,451.0
5662,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,CN(C)C=O,451.0
5662,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,CO,451.0
5662,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,Cc1ccccc1,451.0
5662,CCCCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc2c3cccc4ccc5cccc(c5c43)c21,ClCCl,451.0
3910,CCCCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccc6c7cc(/C=C(\C#N)C(=O)O)ccc7n(CCCCCCC)c6c5)cc4)cc3)cc21,ClCCl,397.0
3914,CCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2ccc(/C=C\c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccc6c7cc(C=C(C#N)C(=O)O)ccc7n(CCCCCCC)c6c5)cc4)cc3)cc21,ClCCl,397.0
3856,CCCCCCCCn1c2ccccc2c2ccc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c7ccccc7n(CCCCCCCC)c6c5)cc4)c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)cc21,C1CCOC1,395.0
2176,CC1CC(C)(C)N(C)c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)s3)cc21,CCO,455.0
10089,C[C@H]1CC(C)(C)N(C)c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc21,CCO,455.0
11077,Cc1ccc(/N=C2\N=C(N)c3cccc4cccc2c34)cc1,ClCCl,349.0
9582,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4sc(C(C#N)C(=O)O)c5c4OCC4(COc6c(-c7ccc(-c8ccc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)cc8)s7)sc(C(C#N)C(=O)O)c6OC4)CO5)s3)cc2)cc1,CS(C)=O,421.0
9623,COc1ccc(N2c3ccc(/C=C(/C#N)C(=O)O)cc3C3CCCC32)cc1,CCO,440.0
11347,Cc1ccc(N2c3ccc(C=C(C#N)C(=O)O)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,438.0
11336,Cc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,438.0
6332,CCN1/C(=C\C=C\C=C\c2sc3ccccc3[n+]2CC)Sc2ccccc21,CCO,656.0
4533,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c5sc6c7sc(/C=C(\C#N)C(=O)O)cc7n(CCCCCC)c6c5n(CCCCCC)c4c3)cc2)cc1,ClCCl,519.0
4534,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c5sc6c7sc(C=C(C#N)C(=O)O)cc7n(CCCCCC)c6c5n(CCCCCC)c4c3)cc2)cc1,ClCCl,519.0
5035,CCCCCCn1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2c2sc3c4sc(/C=C(\C#N)C(=O)O)cc4n(CCCCCC)c3c21,ClCCl,495.0
5036,CCCCCCn1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2c2sc3c4sc(C=C(C#N)C(=O)O)cc4n(CCCCCC)c3c21,ClCCl,495.0
369,C/C(=N\Nc1ccc(C#N)cc1)c1cccc(/C(C)=N/Nc2ccc(C#N)cc2)c1,CC#N,355.0
369,C/C(=N\Nc1ccc(C#N)cc1)c1cccc(/C(C)=N/Nc2ccc(C#N)cc2)c1,CCCCCC,359.0
369,C/C(=N\Nc1ccc(C#N)cc1)c1cccc(/C(C)=N/Nc2ccc(C#N)cc2)c1,CO,346.0
369,C/C(=N\Nc1ccc(C#N)cc1)c1cccc(/C(C)=N/Nc2ccc(C#N)cc2)c1,CS(C)=O,366.0
369,C/C(=N\Nc1ccc(C#N)cc1)c1cccc(/C(C)=N/Nc2ccc(C#N)cc2)c1,ClC(Cl)Cl,353.0
416,C1=C2B(c3ccccc3C(c3ccccc3)=C2c2ccccc2)N(Cc2ccccc2)c2ccccc21,ClCCl,391.0
9415,COc1ccc(C2=C(c3ccc(OC)cc3)c3ccccc3B3C2=Cc2ccc(C)cc2N3Cc2ccccc2)cc1,ClCCl,396.0
11444,Cc1ccc2c(c1)N(Cc1ccccc1)B1C(=C2)C(c2ccccc2)=C(c2ccccc2)c2ccccc21,ClCCl,394.0
12240,Fc1cccc2c1C=C1B(c3ccccc3C(c3ccccc3)=C1c1ccccc1)N2Cc1ccccc1,ClCCl,392.0
5017,CCCCCCn1c(=S)n(CCCCCC)c2cc(N(c3ccc(-c4sc(-c5cc(-c6ccc(CCCC)cc6)c(/C=C(\C#N)C(=O)O)s5)cc4-c4ccc(CCCC)cc4)cc3)c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)ccc21,CC#N,463.0
5018,CCCCCCn1c(=S)n(CCCCCC)c2cc(N(c3ccc(-c4sc(-c5cc(-c6ccc(OCC)cc6)c(/C=C(\C#N)C(=O)O)s5)cc4-c4ccc(OCC)cc4)cc3)c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)ccc21,CC#N,482.0
10241,C[Si]1(C)c2ccc(-c3cccs3)cc2C=Cc2cc(-c3cccs3)ccc21,ClCCl,354.0
11146,Cc1ccc(C2=C3C=CC(Nc4ccccc4)=[N+]3[B-](F)(F)n3c(Nc4ccccc4)ccc32)cc1,CO,588.0
4114,CCCCCCN1c2ccc(C=C3SC(SC)=C(SC)S3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc21,ClCCl,472.0
4115,CCCCCCN1c2ccc(C=C3SC(SC)=C(SC)S3)cc2Sc2cc(-c3ccc(C=C(C#N)C(=O)O)cc3)ccc21,ClCCl,472.0
13251,NC(=O)CC[C@H](/[NH+]=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O,OCC(F)(F)F,473.0
13251,NC(=O)CC[C@H](/[NH+]=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O,OCCO,478.0
13251,NC(=O)CC[C@H](/[NH+]=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O,CCO,474.0
13251,NC(=O)CC[C@H](/[NH+]=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O,CO,471.0
13251,NC(=O)CC[C@H](/[NH+]=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O,O,475.0
2733,CCCCC(CC)Cn1c2ccc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc(/C=C(/C#N)C(=O)O)s5)ccc3-4)cc2c2ccc3ccccc3c21,C1CCOC1,433.0
14426,O=c1c(-c2ccc(Br)cc2)coc2cc(O)ccc12,O,287.0
14427,O=c1c(-c2ccc(Cl)cc2)coc2cc(O)ccc12,O,286.0
14428,O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12,O,287.0
14429,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CCO,340.0
14429,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CC#N,360.0
14430,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,O,311.0
14431,O=c1c(-c2cccc(Br)c2)coc2cc(O)ccc12,O,337.0
14432,O=c1c(-c2cccc(Cl)c2)coc2cc(O)ccc12,O,337.0
14433,O=c1c(-c2cccc(O)c2)coc2cc(O)ccc12,O,287.0
14435,O=c1c(-c2ccccc2)coc2cc(O)ccc12,O,336.0
14436,O=c1c(-c2ccccc2Cl)coc2cc(O)ccc12,O,338.0
10971,Cc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,O,336.0
11578,Cc1ccccc1-c1coc2cc(O)ccc2c1=O,O,337.0
10353,Cc1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12,O,287.0
9868,COc1ccc2occ(-c3ccccc3)c(=O)c2c1,O,288.0
9954,COc1ccccc1-c1coc2cc(O)ccc2c1=O,O,335.0
9885,COc1cccc(-c2coc3cc(O)ccc3c2=O)c1,O,337.0
11512,Cc1cccc(-c2coc3cc(O)ccc3c2=O)c1,O,336.0
9093,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,O,287.0
9094,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O,O,334.0
10827,Cc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12,O,287.0
8810,COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O,O,347.0
14176,O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc21,C1CCOC1,341.0
9137,COc1ccc(-c2nc3c([nH]2)=C2C=C(Cl)S[C@@]2(C)[C@]2(C)SC(Cl)=CC=32)cc1,CC#N,295.0
10084,C[C@@]12SC(Cl)=CC1=c1nc(-c3ccc(Cl)cc3)[nH]c1=C1C=C(Cl)S[C@]12C,CC#N,327.0
10085,C[C@@]12SC(Cl)=CC1=c1nc(-c3ccccc3)[nH]c1=C1C=C(Cl)S[C@]12C,CC#N,322.0
12957,N#Cc1c(-n2nnc3cc(Cl)ccc32)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12,CO,276.0
12958,N#Cc1c(-n2nnc3ccc(Cl)cc32)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12,CO,276.0
12959,N#Cc1c(-n2nnc3ccccc32)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12,CO,278.0
11500,Cc1ccc2nnn(-c3c(C#N)c4c(N)ncnc4n3[C@H]3C[C@H](O)[C@@H](CO)O3)c2c1,CO,278.0
11458,Cc1ccc2c(c1)nnn2-c1c(C#N)c2c(N)ncnc2n1[C@H]1C[C@H](O)[C@@H](CO)O1,CO,278.0
7801,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1,CS(C)=O,426.0
4600,CCCCCCOc1ccc(N2c3ccc(-c4cc5sc(/C=C(\C#N)C(=O)O)c(CCC)c5s4)cc3C3CCCC32)cc1,ClCCl,495.0
4601,CCCCCCOc1ccc(N2c3ccc(-c4cc5sc(/C=C(\C#N)C(=O)O)c(CCC)c5s4)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,495.0
5864,CCCc1c(/C=C(\C#N)C(=O)O)sc2cc(-c3ccc4c(c3)C3CCCC3N4c3ccc(OC(C)(C)C)cc3)sc12,ClCCl,465.0
5867,CCCc1c(/C=C(\C#N)C(=O)O)sc2cc(-c3ccc4c(c3)[C@@H]3CCC[C@@H]3N4c3ccc(OC(C)(C)C)cc3)sc12,ClCCl,465.0
772,CC(C)(C)C1=CC(=Cc2ncc(C=C(C#N)C(=O)O)s2)C=C(C(C)(C)C)O1,ClC(Cl)Cl,531.0
9713,COc1ccc2c(c1)N(c1ccc(C)cc1)c1cc3c(cc1=N2)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)N=3,CC#N,540.0
9713,COc1ccc2c(c1)N(c1ccc(C)cc1)c1cc3c(cc1=N2)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)N=3,CCCCCC,562.0
9713,COc1ccc2c(c1)N(c1ccc(C)cc1)c1cc3c(cc1=N2)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)N=3,CO,555.0
9621,COc1ccc(N2c3cc(OC)ccc3N=c3cc4c(cc32)=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O4)cc1,CC#N,539.0
9621,COc1ccc(N2c3cc(OC)ccc3N=c3cc4c(cc32)=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O4)cc1,CCCCCC,562.0
9621,COc1ccc(N2c3cc(OC)ccc3N=c3cc4c(cc32)=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O4)cc1,CO,558.0
15044,c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nn2-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)nc1,ClCCl,377.0
12124,F[B-]1(F)n2c(nc3c4ccccc4c4ccccc4c32)-c2ccc3ccccc3[n+]21,ClCCl,476.0
235,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,380.0
235,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,375.0
3731,CCCCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(CC)CCCC)cc2CCCCCCCC)s1,ClCCl,480.0
15061,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc3)n2)cc1,Cc1ccccc1,377.0
12787,N#CC(=Cc1ccc(N(c2ccccc2)c2cccc(C=C(C#N)c3nnn[nH]3)c2)cc1)c1nnn[nH]1,ClCCl,455.0
5568,CCCC[C@H](CC)Cn1nc2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c2n1,C1CCOC1,434.0
2757,CCCCC(CC)Cn1nc2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c2n1,C1CCOC1,434.0
2758,CCCCC(CC)Cn1nc2c3cc(C=C(C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c2n1,C1CCOC1,434.0
2021,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(CN5CCCCC5)cc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
5478,CCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6cc(C(=O)O)nc(C(=O)O)c6)s5)s4)cc3)c3ccc(-c4ccc(OCCCC)cc4OCCCC)cc3)cc2)c(OCCCC)c1,ClCCl,456.0
14341,O=[N+]([O-])c1ccc(C#Cc2ccc(C#Cc3ccc([N+](=O)[O-])cc3)s2)cc1,C1CCOC1,383.0
14341,O=[N+]([O-])c1ccc(C#Cc2ccc(C#Cc3ccc([N+](=O)[O-])cc3)s2)cc1,CN(C)C=O,386.0
14341,O=[N+]([O-])c1ccc(C#Cc2ccc(C#Cc3ccc([N+](=O)[O-])cc3)s2)cc1,CS(C)=O,388.0
14341,O=[N+]([O-])c1ccc(C#Cc2ccc(C#Cc3ccc([N+](=O)[O-])cc3)s2)cc1,ClC(Cl)Cl,390.0
14341,O=[N+]([O-])c1ccc(C#Cc2ccc(C#Cc3ccc([N+](=O)[O-])cc3)s2)cc1,ClCCl,389.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,C1COCCO1,512.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CC#N,525.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CC(C)=O,521.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCCCCC,498.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCO,522.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCOC(C)=O,514.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CO,523.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CS(C)=O,535.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,Cc1ccccc1,516.0
14110,O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,ClCCl,534.0
12781,N#CC(=Cc1ccc(N(c2ccc(N3c4ccccc4Sc4ccccc43)cc2)c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1)C(=O)O,CC#N,422.0
12298,N#C/C(=C/c1ccc(N(c2ccc(N3c4ccccc4Sc4ccccc43)cc2)c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1)C(=O)O,ClCCl,433.0
7593,CN(C)c1ccc(C2=[N+]3C(=Nc4c5ccccc5c(-c5ccc(N(C)C)cc5)n4[B-]3(F)F)c3ccccc32)cc1,ClCCl,794.0
12093,F[B-]1(F)n2c(c3ccccc3c2-c2ccccc2)N=C2c3ccccc3C(c3ccccc3)=[N+]21,ClCCl,712.0
12217,Fc1ccc(C2=[N+]3C(=Nc4c5ccccc5c(-c5ccc(F)cc5)n4[B-]3(F)F)c3ccccc32)cc1,ClCCl,713.0
9481,COc1ccc(C2=[N+]3C(=Nc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-]3(F)F)c3ccccc32)cc1,ClCCl,729.0
15383,c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ncccc21,CC1CCCO1,314.0
1252,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,415.0
5739,CCCCn1c2ccc(C#Cc3cccc(/C=C(\C#N)C(=O)O)c3)cc2c2nc3ccccc3nc21,C1CCOC1,412.0
5737,CCCCn1c2ccc(C#Cc3ccc(/C=C(\C#N)C(=O)O)cc3)cc2c2nc3ccccc3nc21,C1CCOC1,410.0
13354,Nc1ccc2c(-c3ccc(C4OCCCO4)cc3)c3ccc(=[NH2+])cc-3sc2c1,O,525.0
210,C(=C/c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)ncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,427.0
13450,Nc1nc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1,Cc1ccccc1,417.0
13450,Nc1nc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1,ClC(Cl)Cl,432.0
5698,CCCCn1c2cc(-c3ccc(C4=[N+]5C(=C(c6ccc(/C=C(\C#N)c7ccncc7)s6)c6ccc(-c7ccc(-c8ccc9c%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10n(CCCC)c9c8)s7)n6[B-]5(F)F)C=C4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,753.0
1243,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(/C=C4\SC(=S)N(CC(=O)O)C4=O)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClC(Cl)Cl,507.0
12449,N#C/C(=C\c1ccc(-c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1)C(=O)O,C1CCOC1,500.0
9199,COc1ccc(-n2c3ccccc3c3cc(/C=C/C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,Cc1ccccc1,450.0
9199,COc1ccc(-n2c3ccccc3c3cc(/C=C/C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,ClC(Cl)Cl,459.0
9199,COc1ccc(-n2c3ccccc3c3cc(/C=C/C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,C1CCOC1,448.0
9199,COc1ccc(-n2c3ccccc3c3cc(/C=C/C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CC#N,444.0
9199,COc1ccc(-n2c3ccccc3c3cc(/C=C/C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CC(C)=O,445.0
9199,COc1ccc(-n2c3ccccc3c3cc(/C=C/C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CCOC(C)=O,443.0
9199,COc1ccc(-n2c3ccccc3c3cc(/C=C/C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CO,449.0
9199,COc1ccc(-n2c3ccccc3c3cc(/C=C/C(=C(C#N)C#N)c4ccccc4)ccc32)cc1,CS(C)=O,454.0
3489,CCCCCCCCOc1cc(C)cc(OCCCCCCCC)c1-n1c2cc(C#Cc3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)c3cccc4c5cccc6c(C#Cc7cc8c(s7)-c7sc(C=C(C#N)C(=O)O)cc7C8(CCCCCC)CCCCCC)cc1c(c65)c2c34,ClCCl,525.0
15253,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc([P+](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1,CC#N,354.0
15253,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc([P+](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1,CO,353.0
15253,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc([P+](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1,ClCCl,364.0
15253,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc([P+](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1,O,360.0
10926,Cc1ccc(-c2c3nc(c(-c4ccco4)c4ccc([nH]4)c(-c4ccco4)c4nc(c(-c5ccco5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,430.0
15173,c1ccc(-n2nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc2-c2ccccn2)cc1,ClCCl,323.0
9536,COc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)cc4)cc3)cc2)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)cc1,CCO,478.0
4360,CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4)cc3)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,C1CCOC1,482.0
172,C(#Cc1nccnc1C#Cc1ccccc1)c1ccccc1,CC#N,315.0
2656,CCCCC(CC)COc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)s7)c7nsnc67)cc4C5(CC(CC)CCCC)CC(CC)CCCC)cc3)c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)cc2)c(OCC(CC)CCCC)c1,ClCCl,618.0
1630,CC1(C)C=C(CS(=O)(=O)[O-])c2cc3cc(-c4cc[n+](CCCCCC(=O)O)cc4)c(=O)oc3cc2N1CCCS(=O)(=O)[O-],O,510.0
2009,CC1=CC(C)(C)N(CCCS(=O)(=O)[O-])c2cc3oc(=O)c(-c4cc[n+](CCCCCC(=O)O)cc4)cc3cc21,CCO,512.0
10393,Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1,C1CCOC1,341.0
10393,Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1,CN(C)C=O,341.0
10393,Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1,Cc1ccccc1,341.0
10393,Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1,ClC(Cl)Cl,341.0
10329,Cc1c(C)n2c(COC(=O)c3ccc(F)cc3)c(C)c(=O)n2c1=O,CCO,375.0
10330,Cc1c(C)n2c(COC(=O)c3ccccc3I)c(C)c(=O)n2c1=O,CCO,377.0
10331,Cc1c(C)n2c(COC(=O)c3ccccc3O)c(C)c(=O)n2c1=O,CCO,379.0
8789,COc1cc(OC)cc(C(=O)OCc2c(C)c(=O)n3c(=O)c(C)c(C)n23)c1,CCO,378.0
9379,COc1ccc(C(=O)OCc2c(C)c(=O)n3c(=O)c(C)c(C)n23)cc1,CCO,377.0
11099,Cc1ccc(C(=O)OCc2c(C)c(=O)n3c(=O)c(C)c(C)n23)cc1,CCO,376.0
13140,N#Cc1ccc(C#Cc2ncc(-c3ccccc3)o2)cc1,ClCCl,345.0
9359,COc1ccc(C#Cc2ncc(-c3ccccc3)o2)cc1OC,ClCCl,330.0
9083,COc1ccc(-c2cnc(C#Cc3ccccc3)o2)cc1OC,ClCCl,330.0
11980,FC(F)(F)c1ccc(C#Cc2ncc(-c3ccccc3)o2)cc1,ClCCl,320.0
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,ClC(Cl)Cl,490.9999705
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,O,462.000462
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,c1ccncc1,488.9999462
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC#N,473.0010974
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC(C)=O,476.0000762
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC(C)O,488.0000781
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC1COC(=O)O1,474.0010428
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CCO,483.9989933
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CN(C)C=O,473.0010974
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CO,478.0000478
7426,CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CS(C)=O,476.0000762
14344,O=[N+]([O-])c1ccc(C#Cc2ccc3ccccc3c2)cc1,ClC(Cl)Cl,338.0
14344,O=[N+]([O-])c1ccc(C#Cc2ccc3ccccc3c2)cc1,ClCCl,339.0
9817,COc1ccc2cc(C#Cc3ccc([N+](=O)[O-])cc3)ccc2c1,C1CCOC1,356.0
9817,COc1ccc2cc(C#Cc3ccc([N+](=O)[O-])cc3)ccc2c1,ClC(Cl)Cl,360.0
9817,COc1ccc2cc(C#Cc3ccc([N+](=O)[O-])cc3)ccc2c1,ClCCl,356.0
11940,FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(Sc3ccccc3)C=C3c4cc(Sc5ccccc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(Sc7ccccc7)cc(c4c56)=C4C=C(Sc5ccccc5)C(=N1)C2C34,C1CCOC1,565.0
2931,CCCCCCC1(CCCCCC)c2ccsc2-c2sc(-c3cc4c(s3)-c3sc(-c5cc6c(s5)-c5sc(/C=C(/C#N)C(=O)O)cc5C6(CCCCCC)CCCCCC)cc3C4(CCCCCC)CCCCCC)cc21,ClCCl,585.0
14888,c1cc2ccc3[se]c4ccc5cccc6c(c1)c2c3c4c56,ClC(Cl)Cl,416.5
2458,CCC1=C(C)C2=Cc3cc4c(cc3B(O)N2C1=O)OCO4,CS(C)=O,384.0
2458,CCC1=C(C)C2=Cc3cc4c(cc3B(O)N2C1=O)OCO4,ClC(Cl)Cl,389.0
2458,CCC1=C(C)C2=Cc3cc4c(cc3B(O)N2C1=O)OCO4,CC#N,383.0
2458,CCC1=C(C)C2=Cc3cc4c(cc3B(O)N2C1=O)OCO4,CO,381.0
12439,N#C/C(=C\c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)s1)C(=O)O,ClCCl,416.0
1198,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,ClC(Cl)Cl,438.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,C1CCOC1,353.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,CC#N,456.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,CC(C)O,362.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,CCOC(C)=O,354.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,CN(C)C=O,362.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,CS(C)=O,359.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,Cc1ccccc1,355.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,ClCCl,450.0
7733,CN(C)c1ccc2cc3c(cc2c1)OCCN=C3,O,451.0
15562,c1csc(-c2nnc3ccccn23)c1,ClCCl,301.0
10333,Cc1c(C2=[N+]3C(=Cc4c(C)c5ccccc5n4[B-]3(F)F)c3ccccc32)[nH]c2ccccc12,C1CCOC1,608.0
10333,Cc1c(C2=[N+]3C(=Cc4c(C)c5ccccc5n4[B-]3(F)F)c3ccccc32)[nH]c2ccccc12,CC#N,591.0
10333,Cc1c(C2=[N+]3C(=Cc4c(C)c5ccccc5n4[B-]3(F)F)c3ccccc32)[nH]c2ccccc12,CCCCCC,623.0
10333,Cc1c(C2=[N+]3C(=Cc4c(C)c5ccccc5n4[B-]3(F)F)c3ccccc32)[nH]c2ccccc12,CO,598.0
10333,Cc1c(C2=[N+]3C(=Cc4c(C)c5ccccc5n4[B-]3(F)F)c3ccccc32)[nH]c2ccccc12,Cc1ccccc1,625.0
10333,Cc1c(C2=[N+]3C(=Cc4c(C)c5ccccc5n4[B-]3(F)F)c3ccccc32)[nH]c2ccccc12,ClCCl,611.0
2139,CC1=[N+]2C(=C(c3ccc(Br)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,598.5
2139,CC1=[N+]2C(=C(c3ccc(Br)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,601.5
2159,CC1=[N+]2C(=C(c3ccccc3C)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,595.0
2159,CC1=[N+]2C(=C(c3ccccc3C)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,599.0
2147,CC1=[N+]2C(=C(c3ccc(C=O)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,604.5
2147,CC1=[N+]2C(=C(c3ccc(C=O)cc3)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,604.5
2614,CCCCC(CC)CN1c2ccc(/C=C/C(=O)O)cc2Sc2cc(/C=C/C3=CC(=C4C(=O)N(CC)C(=S)N(CC)C4=O)C=C(/C=C/c4ccc5c(c4)Sc4cc(/C=C/C(=O)O)ccc4N5CC(CC)CCCC)O3)ccc21,CN(C)C=O,520.0
2618,CCCCC(CC)CN1c2ccc(/C=C\C3=CC(=C4C(=O)N(CC)C(=S)N(CC)C4=O)C=C(/C=C/c4ccc5c(c4)Sc4cc(/C=C\C(=O)O)ccc4N5CC(CC)CCCC)O3)cc2Sc2cc(/C=C/C(=O)O)ccc21,CN(C)C=O,520.0
6287,CCN(CCCN(C)C)c1ccc2c(-c3ccc4cc(OC)ccc4c3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
6288,CCN(CCCN(C)C)c1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
13367,Nc1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3oc2c1,O,500.0
5262,CCCCN(CCCC)c1ccc2c(-c3ccc4cc(OC)ccc4c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
5263,CCCCN(CCCC)c1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
6485,CCNc1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
7660,CN(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
14778,[NH2+]=c1ccc2c(-c3ccc4ccccc4c3)c3ccc(O)cc3oc-2c1,O,500.0
9787,COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4oc4cc(N(C)C)ccc34)ccc2c1,O,520.0
9788,COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4oc4cc(N)ccc34)ccc2c1,O,500.0
9789,COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4oc4cc(O)ccc34)ccc2c1,O,500.0
8513,COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C(\C#N)c3ccccc3)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C(\C#N)c2ccccc2)cc1,ClCCl,433.0
8512,COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C(\C#N)c3ccc(C(F)(F)F)cc3)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)cc1,ClCCl,439.0
2121,CC1=N/C(=C\c2ccncc2)C(=O)N1C,CCOC(C)=O,353.0
2121,CC1=N/C(=C\c2ccncc2)C(=O)N1C,O,347.0
2121,CC1=N/C(=C\c2ccncc2)C(=O)N1C,C1COCCO1,357.0
2121,CC1=N/C(=C\c2ccncc2)C(=O)N1C,CC#N,356.0
2121,CC1=N/C(=C\c2ccncc2)C(=O)N1C,CCO,351.0
5052,CCCCCCn1c2cc(C=C(C#N)C(=O)O)ccc2c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc21,ClCCl,438.0
4116,CCCCCCN1c2ccc(C=C3SC(SC)=C(SC)S3)cc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21,ClCCl,448.0
4117,CCCCCCN1c2ccc(C=C3SC(SC)=C(SC)S3)cc2Sc2cc(C=C(C#N)C(=O)O)ccc21,ClCCl,448.0
12617,N#C/C(=C\c1sc(/C=C(\C#N)C(=O)O)c(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClC(Cl)Cl,307.0
12320,N#C/C(=C/c1sc(/C=C(\C#N)C(=O)O)c(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClC(Cl)Cl,307.0
7370,CN(C)c1ccc(-c2nc3cccnc3[nH]2)cc1,CC#N,346.0
7370,CN(C)c1ccc(-c2nc3cccnc3[nH]2)cc1,C1CCCCC1,351.0
9918,COc1cccc(OC)c1-c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,ClCCl,534.0
14276,O=[N+]([O-])c1cc(Cl)ccc1-c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,ClCCl,517.0
12166,Fc1c(F)c(F)c(-c2cc3n(c2)[B-](F)(F)[N+]2=CC=CC2=C3c2ccccc2)c(F)c1F,ClCCl,519.0
12236,Fc1cccc(F)c1-c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,ClCCl,527.0
9670,COc1ccc([N+](=O)[O-])c(-c2cc3n(c2)[B-](F)(F)[N+]2=CC=CC2=C3c2ccccc2)c1,ClCCl,517.0
9436,COc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cc(-c4cc(OC)c(OC)cc4[N+](=O)[O-])cc32)cc1,ClCCl,517.0
2774,CCCCC1(CCCC)c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2cc3c(cc21)-c1ccc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc1C3(CCCC)CCCC,Cc1ccccc1,413.0
1091,CC(C)(C)c1ccc(C2=C(c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)S(=O)(=O)c3c2sc(-c2ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc2)c3-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,403.0
7010,CC[P](CC)(CC)[Pt](C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)(C#Cc1ccc(/C=C/c2ccc(/C=C(/C#N)C(=O)O)s2)s1)[P](CC)(CC)CC,ClCCl,528.0
12060,F[B-]1(F)n2c(-c3ccccc3)c3ccc4ccccc4c3c2N=C2c3c(ccc4ccccc34)C(c3ccccc3)=[N+]21,ClCCl,737.0
14859,c1cc2c3c(cccc3c1)-c1cc3c(ccc4ccccc43)cc1-2,CCCCCCC,405.0
8987,COc1ccc(-c2cc3c(-c4ccccc4)c(-c4ccc(F)cc4)n(C)c3nc2-c2ccc(C)cc2)cc1,C1CCOC1,333.0
8988,COc1ccc(-c2cc3c(-c4ccccc4)c(-c4ccc(OC)cc4)n(C)c3nc2-c2ccc(C)cc2)cc1,C1CCOC1,332.0
3018,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)sc4c6ccc(-c7cc(C)c(C=C(C#N)C(=O)O)s7)cc6sc54)sc3-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)cc21,ClC(Cl)Cl,453.0
12338,N#C/C(=C\c1cc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)on1)C(=O)O,CN(C)C=O,416.0
13222,N#Cc1nc2c(nc1C#N)C1c3ccc(N(c4ccccc4)c4ccccc4)cc3C2c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,391.0
13222,N#Cc1nc2c(nc1C#N)C1c3ccc(N(c4ccccc4)c4ccccc4)cc3C2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,409.0
13222,N#Cc1nc2c(nc1C#N)C1c3ccc(N(c4ccccc4)c4ccccc4)cc3C2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,408.0
13222,N#Cc1nc2c(nc1C#N)C1c3ccc(N(c4ccccc4)c4ccccc4)cc3C2c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC#N,378.0
6003,CCN(CC)c1ccc(/N=N\c2ccc3c4c(cccc24)C(=O)OC3=O)c(C)c1,CN(C)C=O,432.0
9562,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c(C)c4n(c3C)[B-]3(Oc5ccccc5O3)[N+]3=C(C)C(c5ccc(C=C(C#N)C(=O)O)s5)=C(C)C3=C4C)cc2)cc1,ClC(Cl)Cl,545.0
5159,CCCCCCn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cnc(-c3ccc(C=C(C#N)C(=O)O)s3)c2n1,C1CCOC1,472.0
6120,CCN(CC)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2,CO,608.0
1965,CC1=C2C=CC(=[N+](C)C)C=C2C(C)(C)c2cc(N(C)C)ccc21,CCO,602.0
7683,CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2,CCO,606.0
7683,CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2,CO,605.0
7683,CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2,O,604.0
7685,CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2CCCCCCNC(=O)OC(C)(C)C,O,459.0
6857,CCOC(CN1C(=O)C2=C(c3ccsc3)N(CC(OCC)OCC)C(=O)C2=C1c1ccsc1)OCC,ClC(Cl)Cl,493.0
4459,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc6)s5)c5nc(-c6ccc(/C=C(/C#N)C(=O)O)s6)c(-c6ccc(/C=C(/C#N)C(=O)O)s6)nc45)s3)cc2)cc1,Cc1ccccc1,528.0
4460,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc6)s5)c5nc(-c6ccc(/C=C(\C#N)C(=O)O)s6)c(-c6cccs6)nc45)s3)cc2)cc1,Cc1ccccc1,542.0
14363,O=[N+]([O-])c1ccc(NCc2ccccc2)c2nonc12,CCO,459.0
10844,Cc1cc2c(o1)c(Br)cc1c(C)cc(=O)oc12,C1CCCCC1,330.0
10844,Cc1cc2c(o1)c(Br)cc1c(C)cc(=O)oc12,CCO,330.0
10845,Cc1cc2c(o1)c(C)cc1ccc(=O)oc12,C1CCCCC1,330.0
10845,Cc1cc2c(o1)c(C)cc1ccc(=O)oc12,C1COCCO1,315.0
10845,Cc1cc2c(o1)c(C)cc1ccc(=O)oc12,CC#N,315.0
10845,Cc1cc2c(o1)c(C)cc1ccc(=O)oc12,CCO,305.0
10845,Cc1cc2c(o1)c(C)cc1ccc(=O)oc12,OCC(F)(F)F,310.0
10609,Cc1cc(=O)oc2c1cc(Br)c1occ(C)c12,C1CCCCC1,333.0
10609,Cc1cc(=O)oc2c1cc(Br)c1occ(C)c12,CCO,330.0
10610,Cc1cc(=O)oc2c1cc(Cl)c1occ(C)c12,CCO,333.0
10610,Cc1cc(=O)oc2c1cc(Cl)c1occ(C)c12,C1CCCCC1,332.0
11714,Cc1oc2c(Cl)cc3c(C)cc(=O)oc3c2c1C,C1CCCCC1,338.0
11714,Cc1oc2c(Cl)cc3c(C)cc(=O)oc3c2c1C,CCO,335.0
7171,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,C1CCOC1,367.0
7171,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,CCOC(C)=O,368.0
7171,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,CN(C)C=O,370.0
7171,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,Cc1ccccc1,369.0
7171,CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,ClCCl,371.0
5202,CCCCCc1nc2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(-c5ccc6c(c5)C5CCCC5N6c5ccc(C)cc5)c5nsnc45)cc3c2nc1CCCCC,ClC(Cl)Cl,547.0
5203,CCCCCc1nc2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(-c5ccc6c(c5)[C@@H]5CCC[C@@H]5N6c5ccc(C)cc5)c5nsnc45)cc3c2nc1CCCCC,ClC(Cl)Cl,547.0
8699,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1ccncc1,C1CCOC1,415.0
8699,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1ccncc1,CC#N,410.0
8699,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1ccncc1,CN(C)C=O,416.0
8699,COc1cc(/C=C/c2nc3ccccc3s2)c(OC)cc1/C=C/c1ccncc1,Cc1ccccc1,416.0
2454,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C,CC#N,621.0
2454,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C,CCCCCC,625.0
2454,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C,Cc1ccccc1,629.0
2454,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C,ClCCl,627.0
7028,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])[se]c2ccccc21,CO,644.0
7028,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])[se]c2ccccc21,ClC(Cl)Cl,655.0
7028,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])[se]c2ccccc21,ClCCl,659.0
7030,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccccc4C3(C)C)=C2[O-])[se]c2ccccc21,CO,643.0
7030,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccccc4C3(C)C)=C2[O-])[se]c2ccccc21,ClC(Cl)Cl,657.0
7030,CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccccc4C3(C)C)=C2[O-])[se]c2ccccc21,ClCCl,658.0
10718,Cc1cc(C)c(C2=C(c3c(C)sc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)c3C)C(F)(F)C(F)(F)C2(F)F)s1,C1CCOC1,332.0
397,C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/c1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,422.0
10619,Cc1cc(=O)oc2cc(Oc3ccc4c(c3)-c3nc-4nc4[nH]c(nc5nc(nc6[nH]c(n3)c3ccc(Oc7ccc8c(C)cc(=O)oc8c7)cc63)-c3cc(Oc6ccc7c(C)cc(=O)oc7c6)ccc3-5)c3cc(Oc5ccc6c(C)cc(=O)oc6c5)ccc43)ccc12,ClCCl,660.0
10619,Cc1cc(=O)oc2cc(Oc3ccc4c(c3)-c3nc-4nc4[nH]c(nc5nc(nc6[nH]c(n3)c3ccc(Oc7ccc8c(C)cc(=O)oc8c7)cc63)-c3cc(Oc6ccc7c(C)cc(=O)oc7c6)ccc3-5)c3cc(Oc5ccc6c(C)cc(=O)oc6c5)ccc43)ccc12,CN(C)C=O,660.0
14309,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2cc3ccccc3o2)s1,C1CCOC1,467.0
14309,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2cc3ccccc3o2)s1,CC#N,465.0
14309,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2cc3ccccc3o2)s1,CCCCCC,448.0
14309,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2cc3ccccc3o2)s1,CS(C)=O,478.0
14309,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2cc3ccccc3o2)s1,Cc1ccccc1,464.0
14309,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2cc3ccccc3o2)s1,ClCCl,476.0
3125,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(C#N)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(C#N)cc4)c(OC)cc23)C1=O,ClCCl,427.0
3126,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(C(F)(F)F)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(C(F)(F)F)cc4)c(OC)cc23)C1=O,ClCCl,427.0
3127,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(C)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(C)cc4)c(OC)cc23)C1=O,ClCCl,436.0
3128,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(C=O)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(C=O)cc4)c(OC)cc23)C1=O,ClCCl,428.0
3129,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(Cl)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(Cl)cc4)c(OC)cc23)C1=O,ClCCl,430.0
3130,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(F)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(F)cc4)c(OC)cc23)C1=O,ClCCl,431.0
3131,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(N(C)C)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(N(C)C)cc4)c(OC)cc23)C1=O,ClCCl,477.0
3132,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(OC)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(OC)cc4)c(OC)cc23)C1=O,ClCCl,443.0
3133,CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccccc5)c(OC)cc4c3c3c2ccc2cc(-c4ccccc4)c(OC)cc23)C1=O,ClCCl,432.0
2900,CCCCCCC1(CCCCCC)c2cc(-c3ccncc3)sc2-c2cc(-c3ccc(N(c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)cc3)sc21,C1CCOC1,442.0
11260,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c4c(F)c(F)c(-c5ccc(C(=O)O)cc5)c5nsnc45)sc2-3)cc1,ClC(Cl)Cl,525.0
11262,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)sc2-3)cc1,ClC(Cl)Cl,532.0
15013,c1ccc(-c2ccnc3ncnn23)cc1,ClCCl,310.0
13091,N#Cc1ccc(-c2ccnc3ncnn23)cc1,ClCCl,300.0
7343,CN(C)c1ccc(-c2ccnc3ncnn23)cc1,ClCCl,389.0
14135,O=Cc1ccc(-c2ccnc3ncnn23)cc1,ClCCl,309.0
9068,COc1ccc(-c2ccnc3ncnn23)cc1,ClCCl,326.0
10967,Cc1ccc(-c2ccnc3ncnn23)cc1,ClCCl,312.0
9069,COc1ccc(-c2ccnc3ncnn23)cc1OC,ClCCl,339.0
11747,Clc1ccc(-c2ccnc3ncnn23)cc1,ClCCl,309.0
11949,FC(F)(F)c1cc(-c2ccnc3ncnn23)cc(C(F)(F)F)c1,ClCCl,296.0
8546,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)C(C)(CCCS(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])ccc21,O,663.0
7451,CN(C)c1ccc(/C=C/c2nc(/C=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc1,ClCCl,413.0
10168,C[Si](C)(C)O[Si]1(O[Si](C)(C)C)n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12,CN(C)C=O,668.0
15430,c1ccc2c(c1)[nH]c1ncccc12,CC#N,338.0
15430,c1ccc2c(c1)[nH]c1ncccc12,CCCCCC,336.0
3834,CCCCCCCCn1c2ccccc2c2c(-c3ccccc3)cc3cc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)o5)s4)sc3c21,ClC(Cl)Cl,472.0
167,C(#Cc1nc(C#Cc2cccs2)c(C#Cc2cccs2)c(C#Cc2cccs2)c1C#Cc1cccs1)c1cccs1,ClCCl,411.0
2965,CCCCCCCCC(CCCCCC)Cn1c2c3ccccc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,457.0
2967,CCCCCCCCC(CCCCCC)Cn1c2c3ccccc3sc2c2sc3cc(-c4sc(/C=C(\C#N)C(=O)O)cc4CCCCCC)ccc3c21,C1CCOC1,495.0
12510,N#C/C(=C\c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1)C(=O)O,ClCCl,439.0
12073,F[B-]1(F)n2c(Cl)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,CCOC(C)=O,497.0
12073,F[B-]1(F)n2c(Cl)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,CC#N,479.0
12073,F[B-]1(F)n2c(Cl)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,CCCCCC,523.0
11138,Cc1ccc(C2=C3C=CC(N(C)Cc4ccccc4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,489.0
12073,F[B-]1(F)n2c(Cl)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,CO,488.0
12073,F[B-]1(F)n2c(Cl)ccc2C(c2c(Cl)cccc2Cl)=C2C=CC(NCc3ccccc3)=[N+]21,ClCCl,505.0
1938,CC1=C(Cl)C(/C=C/c2ccc3c(c2)c2ccccc2n3Cc2cn(CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nn2)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)c(Cl)c(C)n1[B-]2(F)F,CCO,612.0
4285,CCCCCCOc1ccc(-c2cnc(-c3nnc(-c4ccc(OCCCCCC)cc4)o3)o2)cc1,CCO,322.0
4285,CCCCCCOc1ccc(-c2cnc(-c3nnc(-c4ccc(OCCCCCC)cc4)o3)o2)cc1,CO,320.0
4285,CCCCCCOc1ccc(-c2cnc(-c3nnc(-c4ccc(OCCCCCC)cc4)o3)o2)cc1,ClC(Cl)Cl,325.0
4285,CCCCCCOc1ccc(-c2cnc(-c3nnc(-c4ccc(OCCCCCC)cc4)o3)o2)cc1,C1CCCCC1,316.0
4285,CCCCCCOc1ccc(-c2cnc(-c3nnc(-c4ccc(OCCCCCC)cc4)o3)o2)cc1,C1CCOC1,319.0
4285,CCCCCCOc1ccc(-c2cnc(-c3nnc(-c4ccc(OCCCCCC)cc4)o3)o2)cc1,CC#N,320.0
10712,Cc1cc(C)c(B2c3cc(C(C)(C)C)ccc3-c3cccc4cc(C(C)(C)C)cc2c34)c(C)c1,C1CCCCC1,409.0
13537,O=C(O)C1=CC=C(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1,CC#N,404.0
15094,c1ccc(-c2nc(-c3ccccn3)[se]c2N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,406.0
3627,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#CC1=CC=C(n2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc42)CC1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClC(Cl)Cl,620.0
5088,CCCCCCn1c2ccccc2c2c(-c3ccccc3)c3c(c(-c4ccccc4)c21)c1cc(-c2ccc(-c4cc5c(s4)C=C(/C=C(/C#N)C(=O)O)C5)s2)ccc1n3CCCCCC,C1CCOC1,464.0
4594,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c4ncc(/C=C(\C#N)C(=O)O)cn4)sc2-3)cc1,C1CCOC1,521.0
9696,COc1ccc2c(c1)-c1nc(-c3ccccc3)c3cc(Cl)ccc3[n+]1[B-](F)(F)O2,Cc1ccccc1,440.0
9697,COc1ccc2c(c1)-c1nc(-c3ccccc3)c3ccccc3[n+]1[B-](F)(F)O2,Cc1ccccc1,434.0
966,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[B-](F)(F)[n+]1c-2nc(-c2ccccc2)c2cc(Cl)ccc21,Cc1ccccc1,420.0
967,CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[B-](F)(F)[n+]1c-2nc(-c2ccccc2)c2ccccc21,Cc1ccccc1,410.0
12056,F[B-]1(F)Oc2ccccc2-c2nc(-c3ccccc3)c3cc(Cl)ccc3[n+]21,Cc1ccccc1,395.0
12057,F[B-]1(F)Oc2ccccc2-c2nc(-c3ccccc3)c3ccccc3[n+]21,Cc1ccccc1,386.0
3453,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,CN(C)C=O,530.0
3453,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,Cc1ccccc1,530.0
3453,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,ClC(Cl)Cl,530.0
3453,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,ClCCl,533.0
3453,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,C1CCOC1,530.0
3453,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)c7ccc(/C=C/c8ccc9c(c8)Sc8ccccc8N9CCCCCCCC)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,CCOC(C)=O,519.0
419,C1=C2c3cc4ccccc4cc3C3=[N+]2[B-]2(Oc4ccccc43)Oc3ccccc3-c3c4cc5ccccc5cc4c1n32,C1CCOC1,830.0
13184,N#Cc1cccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(C#N)c5)c4)nc(-c4cccc(-c5cccc(C#N)c5)c4)n3)c2)c1,ClCCl,270.0
9207,COc1ccc(-n2nc(C#N)c(N3CCC(N4CCCCC4)CC3)n2)cc1,CC#N,325.0
12530,N#C/C(=C\c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)s1)C(=O)O,ClCCl,406.0
11597,Cc1ccccc1C1=C2C=c3c(oc4c3ccc3ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccc4ccccc4c3oc12,CO,605.5
11597,Cc1ccccc1C1=C2C=c3c(oc4c3ccc3ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccc4ccccc4c3oc12,C1CCCCC1,613.0
11597,Cc1ccccc1C1=C2C=c3c(oc4c3ccc3ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccc4ccccc4c3oc12,CCOC(C)=O,607.0
13636,O=C(O)CN1C(=O)C(=Cc2cc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)on2)SC1=S,CN(C)C=O,414.0
15258,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc([P+](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1,CO,365.0
15258,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc([P+](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1,ClCCl,379.0
15258,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc([P+](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1,O,362.0
15258,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc([P+](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1,CC#N,364.0
3267,CCCCCCCCCCCCn1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)s4)s3)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,416.0
2859,CCCCCCC(CCCC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1cc2c3nonc3c3cc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CC(CCCC)CCCCCC)sc3c2s1,C1CCOC1,462.0
4668,CCCCCC[C@H](CCCC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1cc2c3nonc3c3cc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4C[C@H](CCCC)CCCCCC)sc3c2s1,C1CCOC1,462.0
12525,N#C/C(=C\c1ccc(/C=N/N(c2ccccc2)c2ccccc2)s1)C(=O)O,C1CCOC1,465.0
3460,CCCCCCCCOc1c(/C=C(/C#N)C(=O)O)sc(/C=N/N(c2ccccc2)c2ccccc2)c1OCCCCCCCC,C1CCOC1,483.0
12744,N#CC(=Cc1ccc(/C=N/N(c2ccccc2)c2ccccc2)s1)C(=O)O,C1CCOC1,465.0
8598,COc1c(/C=C(/C#N)C(=O)O)sc(/C=N/N(c2ccccc2)c2ccccc2)c1OC,C1CCOC1,479.0
3467,CCCCCCCCOc1c(/C=N/N(c2ccccc2)c2ccccc2)sc(/C=C(\C#N)C(=O)O)c1OCCCCCCCC,C1CCOC1,483.0
8601,COc1c(/C=N/N(c2ccccc2)c2ccccc2)sc(/C=C(\C#N)C(=O)O)c1OC,C1CCOC1,479.0
12295,N#C/C(=C/c1ccc(/C=N/N(c2ccccc2)c2ccccc2)s1)C(=O)O,C1CCOC1,465.0
213,C(=C/c1cc2ccccc2c2ccccc12)\c1c2ccccc2cc2ccccc12,C1CCOC1,388.0
12913,N#Cc1c(-c2cc3ccccc3o2)c(N)n2ccccc12,CN(C)C=O,373.0
8004,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,CCOC(C)=O,324.0
8004,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,CO,333.0
8006,CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O,CCO,361.0
8006,CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O,CO,359.0
8006,CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O,CC#N,367.0
8006,CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O,CCCCO,363.0
8006,CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O,CCCO,361.0
8004,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,C1COCCO1,326.0
8004,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,CC#N,334.0
8004,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,CCCCO,330.0
8004,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,CCCO,330.0
8004,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,CCO,331.0
13461,Nc1ncccn1,CS(C)=O,296.0
10790,Cc1cc(C)nc(N)n1,CCO,297.0
10790,Cc1cc(C)nc(N)n1,CO,296.0
10790,Cc1cc(C)nc(N)n1,O,284.0
8144,COC(=O)C(C)(C)C1Oc2ccccc2C(=O)/C1=C\O,ClCCl,362.0
8131,COC(=O)C(C)(C)C1Oc2c(Br)cc(Br)cc2C(=O)/C1=C\O,ClCCl,371.0
8138,COC(=O)C(C)(C)C1Oc2ccc(F)cc2C(=O)/C1=C\O,ClCCl,364.0
8141,COC(=O)C(C)(C)C1Oc2ccc(OC)cc2C(=O)/C1=C\O,ClCCl,383.0
2723,CCCCC(CC)Cn1c2cc(C#N)ccc2c2ccc(C#Cc3ccc4ccc5ccc(C#Cc6ccc7c8ccc(C#N)cc8n(CC(CC)CCCC)c7c6)c6ccc3c4c56)cc21,ClCCl,447.0
5655,CCCCn1c(-c2ccc(Br)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,328.0
5664,CCCCn1c(-c2cccs2)nc2c3cccnc3c3ncccc3c21,ClCCl,325.0
1267,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1,C1CCOC1,343.5612083
1267,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1,CC#N,347.5357711
1267,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1,CC(C)=O,343.8791733
1267,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1,CN(C)C=O,345.9459459
1267,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1,Cc1ccccc1,320.3497615
1267,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1,ClC(Cl)Cl,342.9252782
1267,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)nc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1,ClCCl,341.4944356
13543,O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1CCCCC1,363.0
13543,O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1CCOC1,382.0
13543,O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1COCCO1,384.0
13543,O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CC#N,381.0
13543,O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CCCCCCC,365.0
13543,O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CO,378.0
13543,O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,O,377.0
9988,COc1ccccc1CC(=O)OCc1c(C)c(=O)n2c(=O)c(C)c(C)n12,CCO,377.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,CC(C)O,452.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,CCO,451.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,CN(C)C=O,452.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,CO,447.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,CS(C)=O,456.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,O,460.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,OCC(O)CO,464.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,C1CCOC1,451.0
706,CC(=O)c1ccc2ccc3c(NCCC(=O)NCCCCCCc4nc5c(=O)[nH]c(N)nc5n4[C@H]4C[C@H](O)[C@@H](CO)O4)ccc4ccc1c2c43,CC#N,440.0
8015,CN1CCCc2cc(C3=Cc4cccc[n+]4[B-](F)(F)O3)ccc21,ClC(Cl)Cl,438.0
1751,CC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(-c4ccncc4)cc(c12)C3(C)C,ClCCl,364.0
11051,Cc1ccc(/C2=c3\cc/c(o3)=C(\c3ccc(C)cc3)c3ccc([nH]3)-c3ccc4n3[P-](=O)(=O)[N+]3=C(C=CC3=C4c3cccs3)c3ccc2[nH]3)cc1,ClC(Cl)Cl,739.0
1993,CC1=CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccc4ccc5cccc6ccc3c4c56)n1[B-]2(F)F,CC1CCCO1,691.0
5119,CCCCCCn1c2ccccc2c2cc(/C=C/c3ccc(C=C(C#N)C(=O)O)cc3)ccc21,CCO,435.0
7190,CCn1c2ccccc2c2cc(/C=C(\C#N)c3ccccc3)ccc21,ClCCl,374.0
3321,CCCCCCCCCCc1nc(-c2nc(CCCCCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc2c(c1)C(CCCC)(CCCC)c1ccccc1-2,C1CCOC1,427.0
2636,CCCCC(CC)COc1cc(OCC(CC)CCCC)c2c#cc3ccc4c(c3)c3cc(c#cc5cc(c#cc6ccc7c(c6)c6cc(c#cc1c2)ccc6n7CC(CC)CCCC)c(C(CCCC)OCCC)cc5C(CCCC)OCCC)ccc3n4CC(CC)CCCC,ClCCl,340.0
8018,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CC#N,310.0
8018,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CO,310.0
8018,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,O,308.0
8019,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CC#N,314.0
8019,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CO,313.0
8019,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,O,309.0
4488,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)cc5)s4)c4nsnc34)cc2)cc1,ClCCl,522.0
2304,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)cc21,C1CCOC1,421.0
3243,CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccc(-c5ccc(OC)cc5)cc4C4C5CCC(C5)C43)cc2)sc1-c1cc2sc(/C=C(/C#N)C(=O)O)cc2s1,ClCCl,498.0
10246,C[Si]1(C)c2ccccc2-c2sc3cc4c5c(sc4cc3c21)-c1ccccc1[Si]5(C)C,C1CCOC1,401.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,C1CCCCC1,372.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,C1CCOC1,374.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,CC#N,371.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,CC1CCCCC1,373.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,CCCCO,375.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,CCO,373.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,CN(C)C=O,374.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,Cc1ccccc1,376.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,Clc1ccccc1Cl,379.0
1294,CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1,c1ccccc1,377.0
1158,CC(C)(C)c1ccc(Oc2ccc3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7cccc2c73)c46)c(=O)n2c3ccc(C(=O)O)cc3nc52)cc1,ClCCl,560.0
8928,COc1ccc(-c2c3cc4cc(C)sc4cc3c(C#Cc3ccccc3)c3cc4cc(C)sc4cc23)cc1,ClCCl,539.0
2447,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](C)(Oc3ccccc3-4)[N+]2=C1C,CC#N,616.0
2447,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](C)(Oc3ccccc3-4)[N+]2=C1C,CCCCCC,621.0
2447,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](C)(Oc3ccccc3-4)[N+]2=C1C,Cc1ccccc1,625.0
2447,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](C)(Oc3ccccc3-4)[N+]2=C1C,ClCCl,622.0
1795,CC1(C)c2ccccc2-c2ccc(C3c4ccc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)s5)c5c4C(CCC5)N3c3ccccc3)cc21,CCO,425.0
1841,CC1(C)c2ccccc2-c2ccc([C@@H]3c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)c5c4[C@@H](CCC5)N3c3ccccc3)cc21,CCO,425.0
3270,CCCCCCCCCCCCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,433.0
9563,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c4ccccc4c(C#Cc4ccc(/C=C(\C#N)C(=O)O)cc4)c4ccccc34)cc2)cc1,ClCCl,452.0
4388,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(C#Cc4ccc(C(=O)O)cc4)c4ccccc34)cc2)cc1,ClCCl,439.0
10001,COc1ccsc1-c1ccc(-c2ccc(-c3sccc3OC)s2)s1,CCCCCCCCCCCCCC,409.0
11629,Cc1ccsc1-c1ccc(-c2ccc(-c3sccc3C)s2)s1,CCCCCCCCCCCCCC,382.0
10174,C[Si](C)(C)[Si](c1ccc(-c2ccc(-c3ccc(-c4ccc([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)s4)s3)s2)s1)([Si](C)(C)C)[Si](C)(C)C,ClCCl,417.0
3774,CCCCCCCCc1ccsc1-c1ccc(-c2sc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2CCCCCCCC)s1,ClCCl,480.0
3315,CCCCCCCCCCc1cc(-c2cc(CCCCCCCCCC)c(-c3cccs3)s2)sc1-c1cccs1,CCCCCCCCCCCCCC,380.0
15548,c1csc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)c1,CCCCCCCCCCCCCC,391.0
15548,c1csc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)c1,ClCCl,393.0
14082,O=C1c2ccccc2C2=C(c3ccccn3)NN=C(c3ccccn3)C2c2ccccc21,CC#N,424.0
6169,CCN(CC)c1ccc2c(c1)oc(=O)c1cc3ccc(=[N+](CC)CC)cc-3oc12,O,580.0
14217,O=S(=O)([O-])CCCOc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(OCc6cn([C@@H]7O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]7O)nn6)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,O,689.0
11602,Cc1ccccc1C1=c2cc3c(cc2[Si](C)(C)c2cc4c(cc21)CCN4C)=[N+](C)CC3,O,691.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,C1CCOC1,414.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,C1COCCO1,411.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,CCO,415.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,CCOC(C)=O,410.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,CN(C)C=O,421.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,CO,411.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,CS(C)=O,422.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,Cc1ccccc1,413.0
1646,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)=CC(=C(C#N)C#N)C1,ClC(Cl)Cl,415.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,C1CCOC1,423.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,C1COCCO1,418.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CCO,422.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CCOC(C)=O,420.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CN(C)C=O,427.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CO,417.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CS(C)=O,432.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,Cc1ccccc1,422.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,ClC(Cl)Cl,425.0
1647,CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,ClCCl,423.0
5508,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(-c3ccc4c(c3)C3(OCCO3)C3(OCCO3)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3-4)cc2)cc1,ClC(Cl)Cl,418.0
5508,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(-c3ccc4c(c3)C3(OCCO3)C3(OCCO3)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3-4)cc2)cc1,ClCCl,418.0
15495,c1ccc2cc3c(cc2c1)-c1cccc2c1c-3cc1ccccc12,CCCCCCC,400.0
4134,CCCCCCN1c2ccccc2Sc2cc(-c3ccc4c(c3)c3nc5cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc5nc3n4CC)ccc21,CN(C)C=O,411.0
62,C#CC(C#C)=c1s/c(=c2/s/c(=C\c3ccc(N4c5ccccc5C5CCCC54)cc3)c(=O)n2CC(=O)O)c(=O)n1CCCCCCCC,ClC(Cl)Cl,541.0
12361,N#C/C(=C\c1cc2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2s1)C(=O)O,CN(C)C=O,467.0
4451,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5sc(/C=C(\C#N)C(=O)O)cc5s4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1,CN(C)C=O,481.0
2935,CCCCCCC1=CC(C=O)(/C=C(\C#N)C(=O)O)SC1=c1cc(CCCCCC)c(=C2C=C(CCCCCC)C(c3cc4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4s3)S2)s1,C1CCOC1,430.0
15455,c1ccc2c(c1)cc1c3cccc4c5ccccc5cc(c5cccc2c51)c43,ClCCl,433.0
14312,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc3ccccc3c2)s1,C1CCOC1,468.0
14312,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc3ccccc3c2)s1,CC#N,467.0
14312,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc3ccccc3c2)s1,CCCCCC,433.0
14312,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc3ccccc3c2)s1,CS(C)=O,480.0
14312,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc3ccccc3c2)s1,Cc1ccccc1,460.0
14312,O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc3ccccc3c2)s1,ClCCl,476.0
3939,CCCCCCN(c1ccccc1)c1ccc(/C=C(\C#N)c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)s2)cc1,ClC(Cl)Cl,445.0
10626,Cc1cc(=O)oc2cc3cc(-c4cn(Cc5ccccc5)nn4)ccc3cc12,CCO,339.0
7944,CN1B(c2c(F)c(F)c(F)c(F)c2F)c2cc3c(cc2-c2ccccc21)B(c1c(F)c(F)c(F)c(F)c1F)N(C)c1ccccc1-3,C1CCCCC1,379.0
4500,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4nc5c(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)c5n4CCCCCC)s3)cc2)cc1,C1CCOC1,417.0
4501,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4nc5c(-c6ccc(C=C(C#N)C(=O)O)s6)ccc(-c6ccc(C=C(C#N)C(=O)O)s6)c5n4CCCCCC)s3)cc2)cc1,C1CCOC1,417.0
4766,CCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1cc2sc(/C=C(/C#N)C(=O)O)cc2s1,ClCCl,489.0
3246,CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1cc2sc(/C=C(/C#N)C(=O)O)cc2s1,ClCCl,500.0
12265,N#C/C(=C/c1cc2sc(-c3ccc(-c4ccc(N5c6ccccc6C6C7CCC(C7)C65)cc4)s3)cc2s1)C(=O)O,ClCCl,505.0
1622,CC1(C)C2=[N+](CCCCCC(=O)NCCNC(=O)CCCCCN3/C(=C/C=C/C=C/C=C/2)C(C)(C)c2cc(S(=O)(=O)[O-])ccc23)c2ccc(S(=O)(=O)[O-])cc21,O,750.0
1622,CC1(C)C2=[N+](CCCCCC(=O)NCCNC(=O)CCCCCN3/C(=C/C=C/C=C/C=C/2)C(C)(C)c2cc(S(=O)(=O)[O-])ccc23)c2ccc(S(=O)(=O)[O-])cc21,CO,755.0
5797,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccncc2)C(C)(C)c2ccccc21,O,633.0
5797,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccncc2)C(C)(C)c2ccccc21,CO,634.0
5797,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccncc2)C(C)(C)c2ccccc21,CS(C)=O,643.0
14991,c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(N(c4ccccc4)c4ccccc4)[se]3)cc2)cc1,ClC(Cl)Cl,394.0
7526,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(/C=C7\SC(=S)N(CC(=O)O)C7=O)cc6)cc5)s4)s3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,479.0
11285,Cc1ccc(N2c3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc3C3CCCC32)cc1,ClCCl,546.0
11323,Cc1ccc(N2c3ccc(-c4ccc(/C=C5/SC(N)=NC5=O)s4)cc3C3CCCC32)cc1,ClCCl,461.0
10432,Cc1cc(/C=C/C#Cc2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,563.0
8793,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4ccsc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccsc4)c(I)c(C)c32)c1,C1CCOC1,670.0
8793,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4ccsc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccsc4)c(I)c(C)c32)c1,CS(C)=O,675.0
8793,COc1cc(OC)cc(C2=C3C(C)=C(I)C(/C=C/c4ccsc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccsc4)c(I)c(C)c32)c1,ClCCl,670.0
14767,[NH2+]=c1cc2oc3cc(N4CCCC4)ccc3nc-2c2ccccc12,O,643.0
12273,N#C/C(=C/c1ccc(-c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,ClC(Cl)Cl,517.0
13214,N#Cc1nc(N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c(C#N)nc1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1,ClC(Cl)Cl,487.0
13215,N#Cc1nc(N(Cc2ccc(I)cc2)Cc2ccc(I)cc2)c(C#N)nc1N(Cc1ccc(I)cc1)Cc1ccc(I)cc1,ClC(Cl)Cl,484.0
13216,N#Cc1nc(N(Cc2ccccc2)Cc2ccccc2)c(C#N)nc1N(Cc1ccccc1)Cc1ccccc1,ClC(Cl)Cl,493.0
13217,N#Cc1nc(N(Cc2ccccc2Br)Cc2ccccc2Br)c(C#N)nc1N(Cc1ccccc1Br)Cc1ccccc1Br,ClC(Cl)Cl,485.0
13218,N#Cc1nc(N(Cc2ccccc2Cl)Cc2ccccc2Cl)c(C#N)nc1N(Cc1ccccc1Cl)Cc1ccccc1Cl,ClC(Cl)Cl,485.0
13219,N#Cc1nc(N(Cc2ccccc2F)Cc2ccccc2F)c(C#N)nc1N(Cc1ccccc1F)Cc1ccccc1F,ClC(Cl)Cl,479.0
13220,N#Cc1nc(N(Cc2ccccc2I)Cc2ccccc2I)c(C#N)nc1N(Cc1ccccc1I)Cc1ccccc1I,ClC(Cl)Cl,487.0
11606,Cc1ccccc1CN(Cc1ccccc1C)c1nc(C#N)c(N(Cc2ccccc2C)Cc2ccccc2C)nc1C#N,ClC(Cl)Cl,501.0
11193,Cc1ccc(CN(Cc2ccc(C)cc2)c2nc(C#N)c(N(Cc3ccc(C)cc3)Cc3ccc(C)cc3)nc2C#N)cc1,ClC(Cl)Cl,496.0
13212,N#Cc1nc(N(Cc2ccc(Br)cc2)Cc2ccc(Br)cc2)c(C#N)nc1N(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1,ClC(Cl)Cl,485.0
13213,N#Cc1nc(N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)c(C#N)nc1N(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1,ClC(Cl)Cl,485.0
2666,CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(C=C(C#N)c5ccc(C(=O)O)cc5)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,Clc1ccccc1,521.0
7126,CCn1c2c(-c3cccs3)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(-c3cccs3)c21,ClCCl,360.0
6579,CCOC(=O)C1=CN(c2ccccc2)C=CC1c1ccccc1,C1CCOC1,344.0
6579,CCOC(=O)C1=CN(c2ccccc2)C=CC1c1ccccc1,CO,348.0
6578,CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1,C1CCOC1,362.0
6578,CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1,CO,366.0
12492,N#C/C(=C\c1ccc(-c2csc3cc(-c4ccc(N(c5ccc6c(c5)OCCO6)c5ccc6c(c5)OCCO6)cc4)sc23)s1)C(=O)O,ClCCl,512.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,C1CCOC1,373.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,C1COCCO1,372.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,CC#N,380.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,CC(C)=O,375.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,CC(C)O,385.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,CCO,379.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,CN(C)C=O,380.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,CO,382.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,Cc1ccccc1,373.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,ClC(Cl)Cl,380.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,ClCCl,379.0
8213,COC(=O)CN1C(=O)c2cc3ccc(N(C)C)cc3cc2C1=O,O,388.0
3045,CCCCCCCCCCC1(CCCCCCCC)C(=CC2=C([O-])C(=CC3=[N+](C)c4ccc(-c5ccc(C(=O)O)s5)cc4C3(C)C)C2=C(C#N)C#N)N(CCCCCC)c2ccccc21,ClCCl,705.0
3046,CCCCCCCCCCC1(CCCCCCCC)C(=CC2=C([O-])C(=CC3=[N+](C)c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4C3(C)C)C2=C(C#N)C#N)N(CCCCCC)c2ccccc21,ClCCl,715.0
5734,CCCCn1c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2c2cc(Cn3c(-c4ccc5c(c4)c4ccccc4n5CCCC)nc4ccccc43)ccc21,CCOC(C)=O,408.0
5734,CCCCn1c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2c2cc(Cn3c(-c4ccc5c(c4)c4ccccc4n5CCCC)nc4ccccc43)ccc21,CN(C)C=O,423.0
5734,CCCCn1c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2c2cc(Cn3c(-c4ccc5c(c4)c4ccccc4n5CCCC)nc4ccccc43)ccc21,ClCCl,417.0
5734,CCCCn1c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2c2cc(Cn3c(-c4ccc5c(c4)c4ccccc4n5CCCC)nc4ccccc43)ccc21,O,434.0
5734,CCCCn1c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2c2cc(Cn3c(-c4ccc5c(c4)c4ccccc4n5CCCC)nc4ccccc43)ccc21,c1ccccc1,409.0
5734,CCCCn1c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2c2cc(Cn3c(-c4ccc5c(c4)c4ccccc4n5CCCC)nc4ccccc43)ccc21,C1CCOC1,410.0
5734,CCCCn1c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2c2cc(Cn3c(-c4ccc5c(c4)c4ccccc4n5CCCC)nc4ccccc43)ccc21,CC#N,416.0
5734,CCCCn1c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2c2cc(Cn3c(-c4ccc5c(c4)c4ccccc4n5CCCC)nc4ccccc43)ccc21,CCO,416.0
9444,COc1ccc(C2=CC(c3ccccc3)=C(c3ccccc3)C2)c2ccccc12,ClCCl,354.0
9835,COc1ccc2ccccc2c1C1=CC(c2ccccc2)=C(c2ccccc2)C1,ClCCl,340.0
5340,CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c(=O)n6c(c7cc(Oc8ccc(C(C)(C)C)cc8)c(c8c(Oc9ccc(C(C)(C)C)cc9)cc(c2c38)C1=O)c4c57)=Cc1ccc2ccccc2[n+]1[B-]6(F)F,ClCCl,648.0
11442,Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1,Cc1ccccc1,378.0
12290,N#C/C(=C/c1ccc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N3c5ccccc5CCc5ccccc53)=C3/C=CC(=N3)/C=4c3ccccc3)/C(c3ccccc3)=C3/C=CC2=N3)cc1)C(=O)O,ClCCl,425.0
11227,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)cc5)s4)s3)s2)cc1,ClC(Cl)Cl,495.0
15218,c1ccc(C2=Nc3cccc4[n+]3[B-](c3ccccc3)(N2)NC(c2ccccc2)=N4)cc1,ClCCl,440.0
11177,Cc1ccc(C2=Nc3cccc4[n+]3[B-](c3ccccc3)(N2)NC(c2ccc(C)cc2)=N4)cc1,ClCCl,435.0
3088,CCCCCCCCCCCCCCCCCCOc1ccc([B-]23NC(c4ccccc4)=Nc4cccc([n+]42)N=C(c2ccccc2)N3)cc1,ClCCl,431.0
1165,CC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)c2c1,C1CCOC1,436.0
15550,c1csc(-c2ccc(-c3cccs3)s2)c1,ClCCl,355.0
12437,N#C/C(=C\c1ccc(-c2ccc(-c3cccs3)s2)s1)C(=O)O,CS(C)=O,439.0
4971,CCCCCCc1ccsc1-c1ccc(-c2sc(C(=O)O)cc2CCCCCC)s1,ClCCl,364.0
12270,N#C/C(=C/c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)s1)C(=O)O,CS(C)=O,480.0
10175,C[Si](C)(C)[Si](c1ccc(-c2ccc(-c3ccc([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)s3)s2)s1)([Si](C)(C)C)[Si](C)(C)C,ClCCl,394.0
4971,CCCCCCc1ccsc1-c1ccc(-c2sc(C(=O)O)cc2CCCCCC)s1,CCO,352.0
4971,CCCCCCc1ccsc1-c1ccc(-c2sc(C(=O)O)cc2CCCCCC)s1,CC(C)=O,361.0
4971,CCCCCCc1ccsc1-c1ccc(-c2sc(C(=O)O)cc2CCCCCC)s1,CCCCCC,357.0
4757,CCCCCCc1cc(-c2ccc(/C=C(\C#N)C(=O)O)s2)sc1-c1ccc(/C=C(/C#N)C(=O)O)s1,CS(C)=O,485.0
4971,CCCCCCc1ccsc1-c1ccc(-c2sc(C(=O)O)cc2CCCCCC)s1,CO,352.0
4759,CCCCCCc1cc(-c2ccc(/C=C(\C#N)C(=O)O)s2)sc1-c1cccs1,CS(C)=O,451.0
4971,CCCCCCc1ccsc1-c1ccc(-c2sc(C(=O)O)cc2CCCCCC)s1,O,365.0
15550,c1csc(-c2ccc(-c3cccs3)s2)c1,CC#N,351.0
2144,CC1=[N+]2C(=C(c3ccc(C(OC(=O)c4ccccc4)C(=O)NC(C)(C)C)cc3)c3cc(Br)c(C)n3[B-]2(F)F)C=C1Br,CCOC(C)=O,540.0
2145,CC1=[N+]2C(=C(c3ccc(C(OC(=O)c4ccccc4)C(=O)NC(C)(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCOC(C)=O,509.5
808,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,C1CCOC1,501.5
808,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,CCOC(C)=O,499.5
809,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1F,C1CCOC1,504.5
2481,CCC1=[N+]2C(=C(c3ccc(C(OC(=O)c4ccccc4)C(=O)NC(C)(C)C)cc3)c3ccc(CC)n3[B-]2(F)F)C=C1,CCOC(C)=O,510.5
10733,Cc1cc(C)c(C2=C3C=CC(c4csc5ccccc45)=[N+]3[B-](F)(F)n3c2ccc3-c2csc3ccccc23)c(C)c1,ClC(Cl)Cl,581.0
383,C1#Cc2ccccc2OCc2ccccc2COc2ccccc21,ClCCl,313.0
10318,Cc1c(C)c(C)c2c(c1C)COc1ccccc1C#Cc1ccccc1OC2,ClCCl,315.0
2015,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(-c5ccccc5)cc4)c4ccc(=[NH2+])cc-4oc3c21,O,540.0
11117,Cc1ccc(C2(c3ccc(C)cc3)c3cccc4c3N3c5c2cccc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(/C=C(\C#N)C(=O)O)o5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,461.0
4998,CCCCCCc1sc(-c2sc(-c3ccc4c(c3)Sc3cc(/C=C(\C#N)C(=O)O)ccc3N4CCCCCC)c3c2OCCO3)c2c1OCCO2,ClCCl,489.0
15230,c1ccc(COc2ccc3c(c2)c2cccc4c(-c5cccs5)nc3n42)cc1,CO,469.0
13627,O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(-c4ccc5c(B(O)O)c6ccccc6cc5c4)c4nsnc34)o2)SC1=S,C1CCOC1,419.0
13627,O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(-c4ccc5c(B(O)O)c6ccccc6cc5c4)c4nsnc34)o2)SC1=S,CCO,419.0
2108,CC1=CC2=Nc3nc(C)[n+](C)cc3CN2C=C1,CC#N,403.0
2108,CC1=CC2=Nc3nc(C)[n+](C)cc3CN2C=C1,CCO,398.0
2108,CC1=CC2=Nc3nc(C)[n+](C)cc3CN2C=C1,O,392.0
11393,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2cccc3ccccc23)cc1,CC#N,434.0
11819,Cn1c(-c2ccc(/C=C(\C#N)C(=O)O)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,437.0
3835,CCCCCCCCn1c2ccccc2c2c(-c3ccccc3)cc3cc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)sc3c21,ClC(Cl)Cl,476.0
11855,Cn1c(C=C2C=C(C(C)(C)C)OC(C(C)(C)C)=C2)ccc1C=C(C#N)C(=O)O,ClC(Cl)Cl,515.0
5636,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c(-c3cccs3)sc(-c3cccs3)c21,C1CCOC1,414.0
2334,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,C1CCOC1,362.0
2334,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CC#N,359.0
2334,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CC(C)=O,360.0
2334,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CCCCCC,362.0
2334,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,Cc1ccccc1,364.0
5171,CCCCCOc1cc2oc(=O)c3c4occc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,422.0
14952,c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)C3(c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc5-4)c4ccccc4-c4c3c3c5ccccc5ccc3c3ccccc43)c2)cc1,C1CCOC1,379.0
13247,N=c1c2ccccc2c(Br)cn1Cn1cc(Br)c2ccccc2c1=O,CC(=O)O,293.0
7230,CCn1c2ccccc2c2ccc(C3CC4C(=C5SC(c6ccc(C=C(C#N)C(=O)O)s6)CC5C5C6CCCC5OCCCCCCOC5CCCC(OCCCCCCO6)C54)S3)cc21,ClCCl,550.0
2779,CCCCC1(CCCC)c2cc(C#Cc3ccc(C=C4c5ccccc5CCc5ccccc54)cc3)ccc2-c2ccc(C#Cc3ccc(C=C4c5ccccc5CCc5ccccc54)cc3)cc21,C1CCOC1,368.0
9217,COc1ccc(-n2nc(C(=O)c3ccccc3)c(-c3ccccc3)n2)cc1,C1CCOC1,297.0
13859,O=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1,C1CCOC1,330.0
13859,O=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1,CO,263.0
7392,CN(C)c1ccc(-n2nc(C(=O)c3ccccc3)c(-c3ccccc3)n2)cc1,C1CCOC1,335.0
12543,N#C/C(=C\c1ccc(C=Cc2ccc(N(c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)cc2)o1)C(=O)O,ClCCl,475.0
10358,Cc1c2c(c(C)c3ccccc13)C1=CC3Nc4ccccc4NC3C=C12,ClC(Cl)Cl,470.0
12614,N#C/C(=C\c1sc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2c1OCCO2)C(=O)O,ClCCl,486.0
3235,CCCCCCCCCCCC[N+]1=C(CC2=C([O-])C(=O)/C2=C(\C#N)C(=O)OCC)C(C)(C)c2ccccc21,CC#N,465.0
6636,CCOC(=O)C[N+]1=C(CC2=C([O-])C(=O)/C2=C(\C#N)C(=O)OCC)C(C)(C)c2ccccc21,CC#N,460.0
4023,CCCCCCN1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2Sc2cc(N(c3ccccc3)c3ccccc3)ccc21,C1CCOC1,446.0
9280,COc1ccc(/C=C/c2cc[n+]3ccc(/C=C/c4ccc(OC)cc4)cc3c2)cc1,CO,444.0
2645,CCCCC(CC)COc1ccc(-c2c3cccc4c(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc5c(-c6ccc(OCC(CC)CCCC)cc6)c6cccc7c(-c8ccc(/C=C(\C#N)C(=O)O)s8)cc2c(c76)c5c43)cc1,C1CCOC1,463.0
13838,O=C(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc2sc3ccccc3c2c1,C1CCOC1,312.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,C1COCCO1,476.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CC#N,482.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CC(C)=O,477.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCCCCC,466.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCO,480.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCOC(C)=O,475.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CO,480.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CS(C)=O,490.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,Cc1ccccc1,478.0
14113,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,ClCCl,489.0
3634,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClC(Cl)Cl,442.0
3153,CCCCCCCCCCCCOc1cc(/C2=C3\C=CC(=N3)/C(C#Cc3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C=C2/C=CC(=N2)/C=4c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC,C1CCOC1,616.0
12785,N#CC(=Cc1ccc(N(c2ccccc2)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1)C(=O)O,CCO,421.0
13764,O=C(O)c1ccc2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)[nH]c2c1,CN(C)C=O,362.0
7896,CN(CCO)c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,ClCCl,497.0
7896,CN(CCO)c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,c1ccccc1,493.0
7896,CN(CCO)c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,CC#N,500.0
7896,CN(CCO)c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,CC(C)=O,504.0
7896,CN(CCO)c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,CCCCO,510.0
7896,CN(CCO)c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,ClC(Cl)Cl,499.0
7401,CN(C)c1ccc(/C=C/C2=C/C(=C(\C#N)C(=O)O)CC(C)(C)C2)cc1,CC#N,464.0
10683,Cc1cc(C)c(B(c2cc3c4c(c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc5c4c2CCC5)CCC3)c2c(C)cc(C)cc2C)c(C)c1,CCCCCC,420.0
420,C1=CB2C=Cc3c(ccc4ccccc34)N2C=C1,C1CCCCC1,334.0
8,BrC1=CC=CN2B1C=Cc1c2ccc2ccccc12,C1CCCCC1,321.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,339.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClC=C(Cl)Cl,340.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClCCl,338.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,338.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1COCCO1,338.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CC#N,334.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCCC,337.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCOCCCC,339.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCN(CC)CC,337.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOC(C)=O,335.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOCC,335.0
1038,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CN(C)C=O,339.0
14995,c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1,C1CCCCC1,319.0
10242,C[Si]1(C)c2ccc(C#Cc3ccccc3)cc2C=Cc2cc(C#Cc3ccccc3)ccc21,ClCCl,346.0
12531,N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,CC#N,377.0
12533,N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1,CC#N,379.0
11008,Cc1ccc(-c2sc(/C(C#N)=C/c3ccc(C#N)cc3)nc2-c2ccc(Cl)cc2)cc1,CC#N,383.0
12547,N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1,CC#N,365.0
9126,COc1ccc(-c2nc(/C(C#N)=C/c3ccc(C#N)cc3)sc2-c2ccc(OC)cc2)cc1,CC#N,407.0
9127,COc1ccc(-c2nc(/C(C#N)=C/c3ccc(Cl)cc3)sc2-c2ccc(OC)cc2)cc1,CC#N,394.0
15121,c1ccc(-c2ncc3ccccn23)cc1,ClC(Cl)Cl,317.0
15121,c1ccc(-c2ncc3ccccn23)cc1,CO,317.0
11967,FC(F)(F)c1ccc(-c2ncc3ccccn23)cc1,ClC(Cl)Cl,340.0
9165,COc1ccc(-c2ncc3ccccn23)cc1,ClC(Cl)Cl,306.0
12502,N#C/C(=C\c1ccc(-c2sc(-c3ccc4c(c3)N(c3ccccc3)C3C5CCC(C5)C43)c3c2OCCO3)s1)C(=O)O,ClCCl,555.0
6954,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3oc4cc(N)ccc4c3oc-2c1,O,581.0
6829,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1oc1cc(N)ccc12,CCO,590.0
6829,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1oc1cc(N)ccc12,ClCCl,587.0
6829,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1oc1cc(N)ccc12,O,588.0
6954,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3oc4cc(N)ccc4c3oc-2c1,CCO,572.0
6954,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3oc4cc(N)ccc4c3oc-2c1,ClCCl,581.0
5694,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,472.3333333333333
5703,CCCCn1c2cc(-c3cccs3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,375.0
5510,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc3c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4n(CCCC)c3c2)cc1,ClCCl,495.0
15503,c1ccc2cc3cc(-c4cc(-c5nccs5)nc(-c5nccs5)c4)ccc3cc2c1,CCCCCC,375.0
15503,c1ccc2cc3cc(-c4cc(-c5nccs5)nc(-c5nccs5)c4)ccc3cc2c1,CO,356.0
15503,c1ccc2cc3cc(-c4cc(-c5nccs5)nc(-c5nccs5)c4)ccc3cc2c1,ClC(Cl)Cl,394.0
15503,c1ccc2cc3cc(-c4cc(-c5nccs5)nc(-c5nccs5)c4)ccc3cc2c1,CC#N,305.0
5871,CCCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(C)C(CC)=C(C)C1=C2c1ccc(-c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4n(CCCCCCC(=O)O)c3c2)cc1,C1COCCO1,524.0
2109,CC1=CC=[N+]2C1=C(c1ccc(-c3ccc4c5ccc(N(c6ccccc6)c6ccccc6)cc5n(CCCCCCC(=O)O)c4c3)cc1)c1c(C)ccn1[B-]2(F)F,C1COCCO1,501.0
15360,c1ccc2c(-n3c(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6cccc7ccccc67)c6ccccc56)c5ccccc45)nc4c5ccccc5c5ccccc5c43)cccc2c1,ClCCl,334.0
13106,N#Cc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(C#N)c6ccccc56)c5ccccc45)c4ccccc34)nc3c4ccccc4c4ccccc4c32)c2ccccc12,ClCCl,336.0
10915,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(C)c5ccc(Oc6ccccc6)cc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,648.0
12125,F[B-]1(F)n2c(nc3c4ccccc4c4ccccc4c32)-c2cccc[n+]21,CC#N,403.0
12125,F[B-]1(F)n2c(nc3c4ccccc4c4ccccc4c32)-c2cccc[n+]21,CCCCCC,447.0
12125,F[B-]1(F)n2c(nc3c4ccccc4c4ccccc4c32)-c2cccc[n+]21,CO,404.0
12125,F[B-]1(F)n2c(nc3c4ccccc4c4ccccc4c32)-c2cccc[n+]21,ClC(Cl)Cl,430.0
12125,F[B-]1(F)n2c(nc3c4ccccc4c4ccccc4c32)-c2cccc[n+]21,ClCCl,421.0
14202,O=P1(c2ccccc2)c2cccc3c4ccccc4c4ccc1n4c23,ClCCl,378.0
2195,CC1CCC(=CS/C=C/c2ccc(-c3ccc(/C=C/SC=C4CCC(C)CC4)cc3)cc2)CC1,ClCCl,353.0
352,C(S/C=C/c1ccc(-c2ccc(/C=C/SC=C3CCCCC3)cc2)cc1)=C1CCCCC1,ClCCl,351.0
778,CC(C)(C)C1CCC(=CS/C=C/c2ccc(-c3ccc(/C=C/SC=C4CCC(C(C)(C)C)CC4)cc3)cc2)CC1,ClCCl,350.0
2913,CCCCCCC1(CCCCCC)c2cc(/C=C(\C#N)c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,477.0
2914,CCCCCCC1(CCCCCC)c2cc(/C=C(\C#N)c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,476.4
14796,[N]=[C]/C(=C\c1ccc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc1)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(/C([C]=[N])=C/c3ccc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc3)cc2)=C2/C=CC(=N2)/C=4c2ccc(/C([C]=[N])=C/c3cccc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc2)cc1,C1CCOC1,600.0
5289,CCCCN1/C(=C/C2=C([O-])/C(=C/C3=[N+](CCC(=O)O)c4ccccc4C3(C)C)C2=C(C#N)C#N)C(C)(C)c2cc3ccccc3cc21,ClCCl,692.0
4440,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc(-c5ccc(/C=C(/C#N)C(=O)O)cc5)c(-c5ccc(C=C(C#N)C(=O)O)cc5)s4)s3)cc2)cc1,C1CCOC1,462.0
12729,N#CC(=Cc1ccc(-c2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2-c2ccc(/C=C(/C#N)C(=O)O)cc2)cc1)C(=O)O,C1CCOC1,451.0
12372,N#C/C(=C\c1ccc(-c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)sc2-c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1)C(=O)O,C1CCOC1,462.0
2745,CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)ccc3-4)ccc21,ClC(Cl)Cl,382.0
2741,CCCCC(CC)Cn1c2ccccc2c2cc(-c3cc4c(cc3F)-c3cc(F)c(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)cc3S4(=O)=O)ccc21,Cc1ccccc1,377.0
2741,CCCCC(CC)Cn1c2ccccc2c2cc(-c3cc4c(cc3F)-c3cc(F)c(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)cc3S4(=O)=O)ccc21,ClC(Cl)Cl,387.0
2745,CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)ccc3-4)ccc21,Cc1ccccc1,379.0
12469,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2)o1)C(=O)O,CC#N,421.0
14331,O=[N+]([O-])c1ccc(/C=C/N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,431.0
12419,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)s1)C(=O)O,C1CCOC1,422.0
12417,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1)C(=O)O,CN(C)C=O,457.0
4898,CCCCCCc1cc2c3c(c1)c(=C1c4ccccc4S(=O)(=O)c4ccccc41)c1cc(CCCCCC)cc4c1-n-3-c1c(cc(CCCCCC)cc1c4=C1c3ccccc3S(=O)(=O)c3ccccc31)c2=C1c2ccccc2S(=O)(=O)c2ccccc21,ClCCl,449.0
13463,Nc1ncnc2c1c(C#Cc1c3ccccc3cc3ccccc13)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,CC#N,405.0
13463,Nc1ncnc2c1c(C#Cc1c3ccccc3cc3ccccc13)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,CCO,405.0
13463,Nc1ncnc2c1c(C#Cc1c3ccccc3cc3ccccc13)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,CCOC(C)=O,405.0
13463,Nc1ncnc2c1c(C#Cc1c3ccccc3cc3ccccc13)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,CO,403.0
13463,Nc1ncnc2c1c(C#Cc1c3ccccc3cc3ccccc13)cn2[C@H]1C[C@H](O)[C@@H](CO)O1,ClC(Cl)Cl,407.0
10223,C[Si]1(C)O[Si](C)(C)c2cc3cc4cc5c(cc4cc3cc21)C(=O)c1cc2cc3cc4c(cc3cc2cc1C5=O)[Si](C)(C)O[Si]4(C)C,ClC(Cl)Cl,470.0
666,CC(=O)c1c2c(cc3ccc(N4CCOCC4)cc13)CCC2,ClCCl,355.0
963,CC(C)(C)c1cc2c(-c3cccc4ccccc34)c(-c3cccc4ccccc34)c3cccc4c(-c5cccc6ccccc56)c(-c5cccc6ccccc56)c(c1)[n+]2c34,ClCCl,352.0
10785,Cc1cc(C)n2c1C=C1c3ccccc3C(c3[nH]c4ccccc4c3C)=[N+]1[B-]2(F)F,C1CCOC1,604.0
10785,Cc1cc(C)n2c1C=C1c3ccccc3C(c3[nH]c4ccccc4c3C)=[N+]1[B-]2(F)F,CC#N,596.0
10785,Cc1cc(C)n2c1C=C1c3ccccc3C(c3[nH]c4ccccc4c3C)=[N+]1[B-]2(F)F,CCCCCC,610.0
10785,Cc1cc(C)n2c1C=C1c3ccccc3C(c3[nH]c4ccccc4c3C)=[N+]1[B-]2(F)F,CO,598.0
10785,Cc1cc(C)n2c1C=C1c3ccccc3C(c3[nH]c4ccccc4c3C)=[N+]1[B-]2(F)F,Cc1ccccc1,615.0
10785,Cc1cc(C)n2c1C=C1c3ccccc3C(c3[nH]c4ccccc4c3C)=[N+]1[B-]2(F)F,ClCCl,608.0
3928,CCCCCCN(CCCCCC)c1ccc(N(c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4CCCCCC)cc2)c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2c4c(c5c(c2-3)C(CCCCCC)(CCCCCC)c2ccccc2-5)C(CCCCCC)(CCCCCC)c2ccccc2-4)cc1,ClCCl,535.0
4333,CCCCCCOc1ccc(N(c2ccc(-c3cc4c(s3)c3scc(C=C(C#N)C(=O)O)c3n4CCCCCC)cc2)c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2c4c(c5c(c2-3)C(CCCCCC)(CCCCCC)c2ccccc2-5)C(CCCCCC)(CCCCCC)c2ccccc2-4)cc1,ClCCl,532.0
5756,CCCCn1c2ccccc2c2c1c1c3ccccc3n(CCCC)c1c1c3ccccc3n(CCCC)c21,C1CCOC1,316.0
12098,F[B-]1(F)n2c(cc(Cl)c2-c2ccccc2)C(c2ccccc2)=C2C=C(Cl)C(c3ccccc3)=[N+]21,Cc1ccccc1,572.0
12108,F[B-]1(F)n2c(ccc2-c2ccccc2)C(c2ccc(I)cc2)=C2C=CC(c3ccccc3)=[N+]21,ClC(Cl)Cl,555.0
9977,COc1ccccc1C1=[N+]2C(=C(c3ccc(I)cc3)c3ccc(-c4ccccc4OC)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,547.5
9463,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,C1CCOC1,597.0
9463,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,Cc1ccccc1,609.0
9463,COc1ccc(C2=[N+]3C(=C(c4ccc(C#N)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,CC#N,587.0
11152,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)cc1,CO,547.0
11152,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)cc1,ClC(Cl)Cl,554.0
9465,COc1ccc(C2=[N+]3C(=C(c4ccc(I)cc4)c4ccc(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2)cc1,ClC(Cl)Cl,582.0
11152,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)cc1,C1CCCCC1,553.0
11152,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)cc1,C1CCOC1,553.0
11152,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)cc1,CCOC(C)=O,549.0
11152,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)cc1,Cc1ccccc1,557.0
11152,Cc1ccc(C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)cc1,C1COCCO1,552.0
12098,F[B-]1(F)n2c(cc(Cl)c2-c2ccccc2)C(c2ccccc2)=C2C=C(Cl)C(c3ccccc3)=[N+]21,C1CCOC1,566.0
12098,F[B-]1(F)n2c(cc(Cl)c2-c2ccccc2)C(c2ccccc2)=C2C=C(Cl)C(c3ccccc3)=[N+]21,CC#N,558.0
4095,CCCCCCN1c2ccc(/C=C\c3ccc4c(c3)Sc3cc(/C=C(\C#N)C(=O)O)ccc3N4CCCCCC)cc2Sc2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,468.0
3969,CCCCCCN1C(=O)c2c(-c3ccc(C=C(C#N)C(=O)O)s3)sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2C1=O,C1CCOC1,485.0
2591,CCCCC(CC)CN1C(=O)c2c(-c3ccc(C=C(C#N)C(=O)O)s3)sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2C1=O,C1CCOC1,487.0
2836,CCCCCC1=C2C(C)=C(c3ccc4c(c3)Sc3ccccc3N4CCCCCCN3c4ccccc4Sc4cc(C5=C(C)C6=C(CCCCC)c7c(C)c(/C=C(\C#N)C(=O)O)c(C)n7[B-](F)(F)[N+]6=C5C)ccc43)C(C)=[N+]2[B-](F)(F)n2c(C)c(/C=C(\C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,532.0
3025,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)C(=O)c3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,C1COCCO1,368.0
3025,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)C(=O)c3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,CCCCCC,366.0
3025,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)C(=O)c3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,Cc1ccccc1,370.0
3025,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)C(=O)c3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,C1CCOC1,369.0
2961,CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3sc2c2sc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc3c21,C1CCOC1,507.0
2959,CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)cc3sc2c2sc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc3c21,C1CCOC1,504.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,C1CCCCC1,318.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,C1CCOC1,320.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,CC#N,321.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,CCO,320.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,CCOC(C)=O,318.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,CCOCC,319.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,CO,319.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,Cc1ccccc1,319.0
15493,c1ccc2cc(-n3c4ccccc4c4ccccc43)ccc2c1,ClC(Cl)Cl,321.0
4789,CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1C=C1C(=C(C#N)C#N)c2ccc(C(=O)O)cc2C1=C(C#N)C#N,ClC(Cl)Cl,821.0
10324,Cc1c(C)c2cc3ccccc3n2c2nc3cc4ccccc4cc3cc12,ClCCl,479.0
5483,CCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCC)cc4OCCCC)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)o5)c5nsnc45)cc3)cc2)c(OCCCC)c1,ClCCl,534.0
12068,F[B-]1(F)n2c(-c3cccs3)cc(-c3cccs3)c2N=C2C(c3cccs3)=CC(c3cccs3)=[N+]21,C1CCOC1,740.0
12068,F[B-]1(F)n2c(-c3cccs3)cc(-c3cccs3)c2N=C2C(c3cccs3)=CC(c3cccs3)=[N+]21,CC#N,733.0
12068,F[B-]1(F)n2c(-c3cccs3)cc(-c3cccs3)c2N=C2C(c3cccs3)=CC(c3cccs3)=[N+]21,CS(C)=O,752.0
12068,F[B-]1(F)n2c(-c3cccs3)cc(-c3cccs3)c2N=C2C(c3cccs3)=CC(c3cccs3)=[N+]21,Cc1ccccc1,743.0
12068,F[B-]1(F)n2c(-c3cccs3)cc(-c3cccs3)c2N=C2C(c3cccs3)=CC(c3cccs3)=[N+]21,ClCCl,741.0
5027,CCCCCCn1c2c(c3cc(-c4ccc(/C=c5\sc(=C(C#N)C#N)[nH]c5=O)cc4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,434.0
5562,CCCC[C@H](CC)C[C@@]1(C[C@H](CC)CCCC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)sc2-c2sc(-c3cnc(-c4ccc5c(c4)[C@H]4CCC[C@H]4N5c4ccc(C)cc4)c4nsnc34)cc21,ClC(Cl)Cl,593.0
2560,CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)sc2-c2sc(-c3cnc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c4nsnc34)cc21,ClC(Cl)Cl,593.0
11135,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(C#Cc4ccccc4)ccc32)cc1,C1CCCCC1,615.0
11135,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(C#Cc4ccccc4)ccc32)cc1,C1CCOC1,610.0
11135,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(C#Cc4ccccc4)ccc32)cc1,C1COCCO1,612.0
11135,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(C#Cc4ccccc4)ccc32)cc1,CCOC(C)=O,607.0
11135,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(C#Cc4ccccc4)ccc32)cc1,CO,605.0
11135,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(C#Cc4ccccc4)ccc32)cc1,Cc1ccccc1,614.0
11135,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(C#Cc4ccccc4)ccc32)cc1,ClC(Cl)Cl,614.0
11135,Cc1ccc(C2=C3C=CC(C#Cc4ccccc4)=[N+]3[B-](F)(F)n3c(C#Cc4ccccc4)ccc32)cc1,ClCCl,614.0
910,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3ccc(-c4ccccc4)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,660.0
15295,c1ccc(N(c2ccccc2)c2ccc3c(c2)[nH]c2cc(-c4ccc(-c5ccncc5)s4)ccc23)cc1,C1COCCO1,394.0
13551,O=C(O)CCCCCCn1c2cc(-c3ccc(-c4ccncc4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,396.0
5686,CCCCn1c2cc(-c3ccc(-c4ccncc4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,396.0
6091,CCN(CC)c1ccc2c(/C=C/C=C/C=C3\N(CCCCCC(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)cc(C(C)(C)C)[o+]c2c1,CCO,734.0
6299,CCN(CCCS(=O)(=O)[O-])c1ccc2c(/C=C/C=C/C=C3\N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)cc(C(C)(C)C)[o+]c2c1,CCO,735.0
936,CC(C)(C)c1cc(/C=C/C=C/C=C2\N(CCC[S](=O)([O-])(=O))c3ccc([S](=O)([O-])(=O))cc3C2(C)CCCC(=O)O)c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc2[o+]1,CCO,733.0
2837,CCCCCC1=C2C(C)=C(c3ccc4c(c3)c3ccccc3n4-c3ccc(OC)cc3)C(C)=[N+]2[B-](F)(F)n2c(C)c(/C=C(\C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,529.0
2838,CCCCCC1=C2C(C)=C(c3ccc4c(c3)c3ccccc3n4-c3ccc(OC)cc3)C(C)=[N+]2[B-](F)(F)n2c(C)c(C=C(C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,529.0
2338,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc21,C1CCOC1,422.0
2338,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc21,CC#N,417.0
2338,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc21,CC(C)=O,418.0
2338,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc21,CCCCCC,422.0
2338,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc21,CN(C)C=O,422.0
2338,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc21,Cc1ccccc1,424.0
2338,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc21,ClC(Cl)Cl,422.0
10943,Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3/C(=C(/c3ccccc3)c3cc(-c4ccc(C)cc4)ccc3-c3ccc(-c4ccc(C)cc4)cc3)c3ccccc3)cc2)cc1,C1CCOC1,295.0
15180,c1ccc(/C(=C(\c2ccccc2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc2)cc1,C1CCOC1,291.0
5635,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)nc2c3cccc4ccc5cccc(c5c43)c21,CC#N,405.0
5635,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)nc2c3cccc4ccc5cccc(c5c43)c21,CN(C)C=O,405.0
5635,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)nc2c3cccc4ccc5cccc(c5c43)c21,CO,405.0
5635,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)nc2c3cccc4ccc5cccc(c5c43)c21,Cc1ccccc1,405.0
5635,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)nc2c3cccc4ccc5cccc(c5c43)c21,ClCCl,405.0
5635,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)nc2c3cccc4ccc5cccc(c5c43)c21,C1CCOC1,405.0
10325,Cc1c(C)c2cc3ccccc3n2c2nc3ccccc3cc12,ClCCl,442.0
5193,CCCCCc1c(CCCCC)c2cc3ccccc3n2c2nc3ccccc3cc12,CO,444.0
5193,CCCCCc1c(CCCCC)c2cc3ccccc3n2c2nc3ccccc3cc12,ClCCl,448.0
5193,CCCCCc1c(CCCCC)c2cc3ccccc3n2c2nc3ccccc3cc12,CCCCCC,455.0
2300,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,ClCCl,406.0
2885,CCCCCCC1(CCCCCC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc2-1,ClCCl,430.0
2886,CCCCCCC1(CCCCCC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,ClCCl,420.0
15128,c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccccc4)o3)o2)cc1,ClCCl,361.0
9168,COc1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(OC)cc4)o3)o2)cc1,ClCCl,353.0
11969,FC(F)(F)c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1,ClCCl,367.0
7448,CN(C)c1ccc(/C=C/c2cnc(C#Cc3ccc(C#N)cc3)o2)cc1,ClCCl,390.0
206,C(=C/c1cc(-c2ccc3ccccc3c2)c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc2ccccc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,419.0
12158,Fc1c(-n2c3ccccc3c3ccccc32)c(-c2nnc(-c3ccccc3)o2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21,Cc1ccccc1,331.0
792,CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c(cc2Oc2ccc(C(C)(C)CC(C)(C)C)cc2)/C2=N/c4c5cc(Oc6ccc(C(C)(C)CC(C)(C)C)cc6)c(Oc6ccc(C(C)(C)CC(C)(C)C)cc6)cc5c5n4[Zn]n4/c(c6cc(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc6/c4=N/C3=N2)=N\C2=N/C(=N\5)c3ccc(-c4ccc(C(=O)O)cc4)cc32)cc1,ClC(Cl)Cl,678.0
15467,c1ccc2c(c1)ccc1oc3ccc4cc5oc6ccc7ccc8oc9ccc%10ccccc%10c9c8c7c6c5cc4c3c12,CC#N,352.0
4950,CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3sc(-c4ccc5c(c4)N(CC(CC)CCCC)C(=O)/C5=C4/C(=O)N(CC(CC)CCCC)c5cc(-c6ccc(C=C(C#N)C(=O)O)cc6)ccc54)cc32)cc1,ClCCl,376.0
11563,Cc1cccc2nc(-c3ccc(-c4cc(=O)cc(-c5ccccc5)o4)cc3)c(NC3CCCCC3)n12,ClCCl,356.0
14497,O=c1cc(-c2ccccc2)oc(-c2ccc(-c3nc4ccccn4c3NC3CCCCC3)cc2)c1,ClCCl,359.0
13135,N#Cc1ccc(/N=N/c2cc3c4c(c2)CCCN4CCC3)cc1,CCOC(C)=O,487.0
11953,FC(F)(F)c1cc(/N=N/c2cc3c4c(c2)CCCN4CCC3)cc(C(F)(F)F)c1,CCOC(C)=O,486.0
8369,COC(=O)c1ccc(/N=N/c2cc3c4c(c2)CCCN4CCC3)cc1,CCOC(C)=O,474.0
11977,FC(F)(F)c1ccc(/N=N/c2cc3c4c(c2)CCCN4CCC3)cc1,CCOC(C)=O,466.0
14274,O=[N+]([O-])c1cc(/N=N/c2cc3c4c(c2)CCCN4CCC3)cc([N+](=O)[O-])c1,CCOC(C)=O,513.0
8297,COC(=O)c1cc(/N=N/c2cc3c4c(c2)CCCN4CCC3)cc(C(=O)OC)c1,CCOC(C)=O,471.0
1445,CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3cc4c(cc3nc12)[C@H]1c2ccccc2[C@@H]4c2ccccc21)(C(C)C)C(C)C,CCCCCC,435.0
1445,CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3cc4c(cc3nc12)[C@H]1c2ccccc2[C@@H]4c2ccccc21)(C(C)C)C(C)C,ClCCl,435.0
13362,Nc1ccc2c(-c3ccc(OC4CCCCO4)cc3)c3ccc(=[NH2+])cc-3sc2c1,O,520.0
4843,CCCCCCc1cc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)sc1-c1cc(CCCCCC)c(-c2sc(C=C(C#N)C(=O)O)c3c2OCCO3)s1,ClC(Cl)Cl,490.0
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CC1COC(=O)O1,459.0
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CCCCCCCCO,451.0
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CCCCCO,456.4
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CCCCO,454.6
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CCCO,455.4
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CCO,455.4
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CCOC(C)=O,443.0
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CN(C)C=O,454.4
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CO,456.4
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CS(C)=O,460.8
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,Cc1ccccc1,443.8
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,ClC(Cl)Cl,455.4
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,C1CCCCC1,428.2
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,C1CCOC1,446.0
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,C1COCCO1,442.8
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CC#N,453.8
8021,CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1,CC(C)=O,449.6
1884,CC1(C)c2ccccc2N(c2ccc(C(=C(C#N)C#N)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,436.0
1885,CC1(C)c2ccccc2N(c2ccc(C(=CC#N)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,373.0
12463,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccco4)cc3)c3ccc(/C=C/c4ccco4)cc3)cc2)o1)C(=O)O,ClCCl,471.0
4258,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4)cc3)c3ccc(C4CC5C(S4)C4C6NN(CCCCCC)NC6C6C7SC(/C=C(\C#N)C(=O)O)CC7N(CCCCCC)C6C4N5CCCCCC)cc3)cc2)cc1,ClCCl,551.0
14256,O=S1(=O)C2=C(c3ccccc31)C1(c3ccccc32)c2ccccc2-c2sc3ccccc3c21,ClCCl,360.0
2798,CCCCC1(CCCC)c2ccccc2-c2ccc(N3c4ccc(/C=c5\s/c(=c6/sc(=C(C#N)C#N)n(CCCCCCCC(=O)O)c6=O)n(CC(=O)O)c5=O)cc4C4CCCC43)cc21,ClC(Cl)Cl,566.0
3796,CCCCCCCCn1c(=O)/c(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)c(=O)n2CC(=O)O)s/c1=C(/C#N)C(=O)O,ClC(Cl)Cl,558.0
3797,CCCCCCCCn1c(=O)/c(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)c(=O)n2CCCCCCCC)s/c1=C(/C#N)C(=O)O,ClC(Cl)Cl,557.0
3791,CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)c(=O)n2CC(=O)O)c1=O,ClC(Cl)Cl,566.0
3598,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(-c5sc(/C=C(/C#N)C(=O)O)c6c5OCCO6)c5nccnc45)c4c3OCCO4)cc2)cc1,Cc1ccccc1,548.0
11345,Cc1ccc(N2c3ccc(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)cc3C3CCCC32)cc1,ClCCl,482.0
11346,Cc1ccc(N2c3ccc(C#Cc4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,482.0
3290,CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(C2=C3C(C)=CC(/C=C/c4ccc(OC)cc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OC)cc4)cc(C=Cc4ccc(OC)cc4)c32)c1,ClC(Cl)Cl,665.0
3416,CCCCCCCCN1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)s4)s3)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,455.0
6126,CCN(CC)c1ccc2c(c1)O/C(=C/C=C1/C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)O)C1=O)C=C2C(C)(C)C,CCO,610.0
6128,CCN(CC)c1ccc2c(c1)O/C(=C/C=C1/C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)[O-])C1=O)C=C2C(C)(C)C,CCO,610.0
1817,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cnc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClCCl,575.0
4946,CCCCCCc1ccc(/C=C/c2ccc(CCCCCC)s2)s1,Cc1ccccc1,356.0
5533,CCCC[C@@H](CC)Cn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,428.0
2705,CCCCC(CC)Cn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,428.0
12326,N#C/C(=C\C=C\C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1)C(=O)O,ClCCl,604.0
12322,N#C/C(=C\C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1)C(=O)O,ClCCl,549.0
774,CC(C)(C)C1CC(/C=C(\C#N)C(=O)O)=C2OC(c3ccccc3)=CC(c3ccccc3)=C2C1,ClCCl,548.0
776,CC(C)(C)C1CC(/C=C/C=C(\C#N)C(=O)O)=C2OC(c3ccccc3)=CC(c3ccccc3)=C2C1,ClCCl,588.0
14898,c1cc2ccc3ccc4cc3c2cc1c1ccc2c(c1)c1cc(ccc1[C@]13OCCO[C@]21OCCO3)c1ccc2c(c1)c1cc4ccc1[C@]13OCCO[C@]21OCCO3,Cc1ccccc1,353.0
10711,Cc1cc(C)c(B2c3cc(C(C)(C)C)ccc3-c3cc4ccccc4c4cc(C(C)(C)C)cc2c34)c(C)c1,C1CCCCC1,408.0
10882,Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N,CC(C)O,537.1
10882,Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N,CCO,534.0
10882,Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N,CO,529.0
10882,Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N,O,520.0
1363,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4ccc5c(c4)Sc4cc(/C=C/c6ccc7c(c6)Sc6cc(/C=C/c8nc9cc(C(=O)O)c(C(=O)O)cc9nc8/C=C/c8ccc9c(c8)Sc8cc(/C=C/c%10ccc%11c(c%10)Sc%10cc(/C=C/c%12ccc%13c(c%12)Sc%12ccccc%12N%13c%12ccc(OCCC(C)C)cc%12)ccc%10N%11c%10ccc(OCCC(C)C)cc%10)ccc8N9c8ccc(OCCC(C)C)cc8)ccc6N7c6ccc(OCCC(C)C)cc6)ccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,C1CCOC1,439.0
7805,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)CC3CCCC3)cc2)cc1,CS(C)=O,429.0
13534,O=C(O)C1=C/C(=C/C=[NH+]/c2ccc3c(C(F)(F)F)cc(=O)oc3c2)CC(C(=O)O)N1,O,519.0
10615,Cc1cc(=O)oc2cc(/[NH+]=C/C=C3/C=C(C(=O)O)NC(C(=O)O)C3)ccc12,O,520.0
12743,N#CC(=Cc1ccc(/C=N/N(c2ccccc2)c2ccccc2)o1)C(=O)O,C1CCOC1,452.0
6131,CCN(CC)c1ccc2c(c1)O/C(=C/C=C1C=CC(=[N+](CC)CC)C=C1)C=C2c1ccccc1C(=O)O,O,676.0
15343,c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccccc34)cccc2c1,ClCCl,376.0
5558,CCCC[C@H](CC)COc1ccc(-n2c(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)cc4)cc3)cc3c2cc(-c2ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc2)n3-c2ccc(OC[C@@H](CC)CCCC)cc2)cc1,ClCCl,501.0
4339,CCCCCCOc1ccc(N(c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)ccc2n3CCCCCC)cc1,C1CCOC1,497.0
3558,CCCCCCCCOc1ccc(N(c2ccc(-c3cc4c(s3)-c3cc5c(cc3C4(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)-c3sc(-c4ccc(-c6ccc(C(=O)O)cc6)cc4)cc3C5(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)cc2)c2ccc(OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)c1,Cc1ccccc1,441.0
10482,Cc1cc(/C=C/c2cc3ccccc3c3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,565.0
4405,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5cnc(-c6ccc(-c7ccncc7)cc6)c6nsnc56)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1CCOC1,572.0
297,C(=C/c1ncc2ccccc2n1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,382.0
3114,CCCCCCCCCCCCN(c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)cc1)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClCCl,463.0
4492,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)o4)o3)cc2)cc1,C1CCOC1,486.5
4492,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)o4)o3)cc2)cc1,ClC(Cl)Cl,522.5
2712,CCCCC(CC)Cn1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)cc2c2cc(C#N)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,369.0
184,C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c2)cc1,C1CCOC1,333.0
3142,CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)OC5=O,CN1CCCC1=O,509.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,331.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1COCCO1,333.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CC#N,329.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCCC,331.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCOCCCC,331.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCN(CC)CC,332.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOC(C)=O,329.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOCC,330.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CN(C)C=O,331.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,333.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClC=C(Cl)Cl,332.0
1040,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClCCl,330.0
14983,c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1,CCOCC,392.0
14983,c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1,C1CCOC1,394.0
14983,c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1,CC(C)=O,382.0
14983,c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1,CCCCCC,394.0
14887,c1cc2ccc3[s+]c4ccc5cccc6c7cccc8c(c1)c2c3c(c87)c4c56,ClCCl,600.0
10702,Cc1cc(C)c(B(c2ccccc2N2c3ccccc3Oc3ccccc32)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,445.0
1840,CC1(C)c2ccccc2-c2ccc(N3c4ccc(C=C5C(=O)c6ccc(C(=O)O)cc6C5=O)cc4C4CCCC43)cc21,ClC(Cl)Cl,540.0
5462,CCCCOc1c(C=C2Sc3ccccc3N2C)c(=O)c1=O,CCO,442.0
10716,Cc1cc(C)c(C)c(B(c2c(C)c(C)c(N3c4ccccc4Oc4ccccc43)c(C)c2C)c2c(C)c(C)c(N3c4ccccc4Oc4ccccc43)c(C)c2C)c1C,CC(C)(C)c1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1,387.0
10317,Cc1c(C)c(B(c2c(C)c(C)c(N3c4ccccc4Oc4ccccc43)c(C)c2C)c2c(C)c(C)c(N3c4ccccc4Oc4ccccc43)c(C)c2C)c(C)c(C)c1C#N,c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,408.0
5351,CCCCN1C(=O)c2cccc3c(Oc4cc(CO)cc(Oc5ccc6c7c(cccc57)C(=O)N(CCCC)C6=O)c4)ccc(c23)C1=O,CC#N,358.0
5351,CCCCN1C(=O)c2cccc3c(Oc4cc(CO)cc(Oc5ccc6c7c(cccc57)C(=O)N(CCCC)C6=O)c4)ccc(c23)C1=O,CN(C)C=O,360.0
5351,CCCCN1C(=O)c2cccc3c(Oc4cc(CO)cc(Oc5ccc6c7c(cccc57)C(=O)N(CCCC)C6=O)c4)ccc(c23)C1=O,ClC(Cl)Cl,360.0
4434,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c5nc(CCCCC)c(CCCCC)nc5c5cc(/C=C(\C#N)C(=O)O)sc5c4s3)cc2)cc1,ClC(Cl)Cl,521.0
5204,CCCCCc1nc2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c2nc1CCCCC,ClC(Cl)Cl,496.0
7503,CN(C)c1ccc(C#Cc2ccc(/C=C(\C#N)C(=O)O)s2)cc1,CN(C)C=O,408.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,C1COCCO1,480.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,CC(C)O,490.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,CCCCCCCCO,489.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,CCCCO,491.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,CCCO,495.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,CCO,498.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,CO,498.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,CS(C)=O,491.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,ClC(Cl)Cl,500.0
7432,CN(C)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)c3)cc2)cc1,ClCCl,500.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,C1COCCO1,482.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,CC(C)O,506.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,CCCCCC,481.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,CCCCCCCCO,498.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,CCCCO,507.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,CCCO,508.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,CCO,508.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,CO,509.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,CS(C)=O,486.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,Cc1ccc(C)cc1,483.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,Cc1ccccc1,483.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,ClC(Cl)Cl,514.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,ClCCl,516.0
3092,CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(/C=C/c2cc[n+](Cc3cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)cc(C[n+]4ccc(/C=C/c5ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,c1ccccc1,484.0
12998,N#Cc1c(N2CCCCC2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c2c1-c1ccccc1C2,C1CCOC1,346.0
2087,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3cccs3)n1[B-]2(F)F,CCCCCC,621.0
2087,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3cccs3)n1[B-]2(F)F,CCCCCCCCO,625.0
2087,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3cccs3)n1[B-]2(F)F,CCOC(C)=O,620.0
2087,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3cccs3)n1[B-]2(F)F,CN(C)C=O,626.0
2087,CC1=CC(C)=[N+]2C1=Cc1c3ccccc3c(C#Cc3cccs3)n1[B-]2(F)F,ClCCl,618.0
11272,Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(/C=C/c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)c4ccc(C)cc4C)cc3)cc2)c(C)c1,C1CCOC1,489.0
2721,CCCCC(CC)Cn1c2cc(C#N)ccc2c2ccc(C#Cc3ccc4ccc5c(C#Cc6ccc7c8ccc(C#N)cc8n(CC(CC)CCCC)c7c6)cc(C#Cc6ccc7c8ccc(C#N)cc8n(CC(CC)CCCC)c7c6)c6ccc3c4c56)cc21,ClCCl,447.0
10243,C[Si]1(C)c2ccccc2-c2[se]c3cc4c5c([se]c4cc3c21)-c1ccccc1[Si]5(C)C,C1CCOC1,408.0
14948,c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)ccc3-4)cc(-c3ccccn3)n2)nc1,ClC(Cl)Cl,344.0
4011,CCCCCCN1C(=O)c2cccc3cc(/N=C\c4cnc5ccccc5c4)cc(c23)C1=O,ClC(Cl)Cl,328.0
10999,Cc1ccc(-c2ncc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)o2)c(O)c1,Cc1ccccc1,366.0
7519,CN(C)c1ccc(C#Cc2nc(-c3ccccc3)nc3ccccc23)cc1,ClCCl,414.0
12921,N#Cc1c(-c2ccc3ccccc3c2)c(N)n2ccccc12,CN(C)C=O,398.0
10641,Cc1cc(C)c(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)c(C)c3)o2)c(C)c1,Cc1ccccc1,339.0
10422,Cc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1-n1c2ccccc2c2ccccc21,Cc1ccccc1,339.0
10423,Cc1cc(-c2nnc(-c3ccccc3)o2)ccc1-n1c2ccccc2c2ccccc21,Cc1ccccc1,339.0
9778,COc1ccc2c3ccc(OC)cc3n(-c3ccc(-c4nnc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)o4)cc3)c2c1,Cc1ccccc1,319.0
9779,COc1ccc2c3ccc(OC)cc3n(-c3ccc(-c4nnc(-c5c(C)cc(C)cc5C)o4)cc3C)c2c1,Cc1ccccc1,319.0
10642,Cc1cc(C)c(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(C)c1,Cc1ccccc1,340.0
15129,c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1,Cc1ccccc1,340.0
12161,Fc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1-c1nnc(-c2ccccc2)o1,Cc1ccccc1,344.0
952,CC(C)(C)c1cc(C(C)(C)C)c(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(C(C)(C)C)c1,Cc1ccccc1,340.0
1461,CC(C)c1cc(C(C)C)c(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(C(C)C)c1,Cc1ccccc1,340.0
3853,CCCCCCCCn1c2ccccc2c2cc3c(cc21)c1cc(-c2cc(CCCCCC)c(-c4cc(CCCCCC)c(-c5cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s5)s4)s2)ccc1n3CCCCCCCC,Cc1ccccc1,501.0
8338,COC(=O)c1cc2c3ccccc3n(C)c2c(Cn2c(-c3nc(C(=O)OC)cc4c5ccccc5n(C)c34)nc3ccccc32)n1,ClC(Cl)Cl,353.71
5339,CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c(=O)[nH]/c(=C\c6ccccn6)c6cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c4c56,ClCCl,615.0
2908,CCCCCCC1(CCCCCC)c2cc(/C=C(/C#N)C(=O)O)sc2-c2sc(/C=C/c3cc4c5c(c3)C(C)(C)c3cc(C(C)(C)C)cc6c3N5c3c(cc(C(C)(C)C)cc3C6(C)C)C4(C)C)cc21,ClC(Cl)Cl,569.0
13644,O=C(O)CN1C(=O)C(=Cc2ccc(N(c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)cc2)SC1=S,CCO,491.0
10143,C[NH+]=C1c2cccn2[B-](F)(F)n2cccc21,CCOC(C)=O,398.5
82,C#CC[NH+]=C1c2cccn2[B-](F)(F)n2cccc21,CCOC(C)=O,408.5
528,C=CC[NH+]=C1c2cccn2[B-](F)(F)n2cccc21,CCOC(C)=O,405.0
2286,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)o4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,457.0
3159,CCCCCCCCCCCCOc1cc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC,C1CCOC1,432.0
12953,N#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1ccccc1,c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1,374.0
3662,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1nc2cc(O)c(O)cc2s1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,465.0
1755,CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21,CCO,436.0
5594,CCCCc1cc2cccc3cc(CCCC)c4cc(-c5cc6[b-]7c(c5)c(CCCC)cc5cccc(cc6CCCC)[n+]75)cc1[b-]4[n+]23,C1CCCCC1,426.0
5026,CCCCCCn1c2c(c3cc(-c4ccc(/C=C5\SC(=S)N(CC(=O)O)C5=O)cc4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,460.0
15039,c1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n3ccccc23)cc1,C1CCCCC1,352.0
15039,c1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n3ccccc23)cc1,CC#N,350.0
15039,c1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n3ccccc23)cc1,CO,348.0
15039,c1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n3ccccc23)cc1,ClCCl,353.0
15039,c1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n3ccccc23)cc1,O,360.0
7115,CCn1c(-c2ccc(/C=C(\C#N)C(=O)O)s2)nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,434.0
1487,CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)cc(/C=C(\C#N)C(=O)O)c1-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,C1CCOC1,418.0
6454,CCN1c2ccccc2Sc2cc(/C=C/c3sc(/C=C(\C#N)C(=O)O)c4c3OCCO4)ccc21,CN(C)C=O,473.0
4548,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4cc5sc(-c6ccc(C(=O)O)c(C#N)c6)cc5s4)c4c3OCCO4)cc2)cc1,CN(C)C=O,437.0
2074,CC1=CC(C)=[N+]2C1=C(c1ccc(O)cc1)c1c(C)cc(/C=C/C=C3/N(C)c4ccccc4C3(C)C)n1[B-]2(F)F,O,650.0
163,C(#Cc1ccncc1)C(C#Cc1ccncc1)=Cc1ccc(C=C(C#Cc2ccncc2)C#Cc2ccncc2)cc1,ClC(Cl)Cl,420.0
2730,CCCCC(CC)Cn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc3c(cc21)c1cc(-c2ccc(/C=C(\C#N)C(=O)O)s2)ccc1n3CC(CC)CCCC,ClCCl,500.0
8890,COc1cc2oc(=O)c3c4ccc(C(=O)c5ccccc5)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,425.0
12047,F[B-]1(F)Oc2c(-c3cccc4c3O[B-](F)(F)[n+]3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc(C(F)(F)F)cc5)c3-4)cccc2-c2n(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)c(-c3ccccc3)[n+]21,C1CCOC1,342.0
1800,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(C=C(C#N)C(=O)O)cc4[Si]5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,459.0
8467,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4cc(-c5cccs5)ccc4nc2C3(Cl)C1(OC)OC,CC#N,366.0
8467,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4cc(-c5cccs5)ccc4nc2C3(Cl)C1(OC)OC,CCCCCC,358.0
8467,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4cc(-c5cccs5)ccc4nc2C3(Cl)C1(OC)OC,CCOC(C)=O,362.0
8467,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4cc(-c5cccs5)ccc4nc2C3(Cl)C1(OC)OC,CO,368.0
8467,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4cc(-c5cccs5)ccc4nc2C3(Cl)C1(OC)OC,Cc1ccccc1,362.0
8467,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4cc(-c5cccs5)ccc4nc2C3(Cl)C1(OC)OC,ClC(Cl)Cl,366.0
8467,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4cc(-c5cccs5)ccc4nc2C3(Cl)C1(OC)OC,ClCCl,367.0
2461,CCC1=C(C)C2=Cc3cscc3B(O)N2C1=O,CC#N,350.0
2461,CCC1=C(C)C2=Cc3cscc3B(O)N2C1=O,CCCCCC,351.0
2461,CCC1=C(C)C2=Cc3cscc3B(O)N2C1=O,CO,355.0
2461,CCC1=C(C)C2=Cc3cscc3B(O)N2C1=O,CS(C)=O,352.0
2461,CCC1=C(C)C2=Cc3cscc3B(O)N2C1=O,ClC(Cl)Cl,355.0
6217,CCN(CC)c1ccc2cc(/C=C/C(O)=C3\CC/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1,C1COCCO1,513.0
6217,CCN(CC)c1ccc2cc(/C=C/C(O)=C3\CC/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1,CC#N,532.0
6217,CCN(CC)c1ccc2cc(/C=C/C(O)=C3\CC/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1,CC(C)=O,526.0
6217,CCN(CC)c1ccc2cc(/C=C/C(O)=C3\CC/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1,CCOC(C)=O,516.0
6217,CCN(CC)c1ccc2cc(/C=C/C(O)=C3\CC/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1,CN(C)C=O,546.0
6217,CCN(CC)c1ccc2cc(/C=C/C(O)=C3\CC/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1,CS(C)=O,556.0
6217,CCN(CC)c1ccc2cc(/C=C/C(O)=C3\CC/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1,Cc1ccccc1,511.0
6217,CCN(CC)c1ccc2cc(/C=C/C(O)=C3\CC/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1,ClC(Cl)Cl,525.0
12250,Fc1nc(F)c(F)c(C#Cc2nccnc2C#Cc2c(F)c(F)nc(F)c2F)c1F,CC#N,305.0
1021,CC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1,ClCCl,436.0
14984,c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1,CC(C)=O,424.0
14984,c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1,C1CCOC1,437.0
14984,c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1,CCCCCC,438.0
14984,c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1,CCOCC,435.0
10396,Cc1cc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)c2nsnc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,428.0
10398,Cc1cc(-c2ccc(C(C)(C)C)cc2)c2nsnc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,402.0
10401,Cc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc2c1-c1ccc(/C=C(\C#N)C(=O)O)cc1,ClCCl,428.0
10402,Cc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc2c1-c1ccc(C(C)(C)C)cc1,ClCCl,418.0
3473,CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc2c1-c1ccc(/C=C(/C#N)C(=O)O)cc1,ClCCl,423.0
10303,Cc1c(C(=O)c2ccc3c4cccc5cccc(c6cccc2c63)c54)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,468.0
13016,N#Cc1c(N2CCCCC2)cc(-c2cccs2)c2c1CCc1ccccc1-2,C1CCOC1,330.0
12995,N#Cc1c(N2CCCCC2)cc(-c2ccc(Br)s2)c2c1CCc1ccccc1-2,C1CCOC1,364.0
12002,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)cc1,Cc1ccccc1,396.0
12002,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)cc1,ClCCl,395.0
12002,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)cc1,CC(C)=O,387.0
6231,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccc(C)cc3)oc2c1,CCO,430.0
6231,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccc(C)cc3)oc2c1,ClCCl,436.0
6232,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccc(F)cc3)oc2c1,CCO,442.0
6232,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccc(F)cc3)oc2c1,ClCCl,444.0
6233,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccccc3)oc2c1,CCO,424.0
6233,CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccccc3)oc2c1,ClCCl,430.0
7035,CC[n+]1ccc(/C=C/c2cc3cccc4ccc5cccc2c5c43)cc1,C1CCOC1,424.0
7035,CC[n+]1ccc(/C=C/c2cc3cccc4ccc5cccc2c5c43)cc1,CC#N,420.0
7035,CC[n+]1ccc(/C=C/c2cc3cccc4ccc5cccc2c5c43)cc1,CS(C)=O,420.0
7035,CC[n+]1ccc(/C=C/c2cc3cccc4ccc5cccc2c5c43)cc1,Cc1ccccc1,428.0
7035,CC[n+]1ccc(/C=C/c2cc3cccc4ccc5cccc2c5c43)cc1,O,411.0
7035,CC[n+]1ccc(/C=C/c2cc3cccc4ccc5cccc2c5c43)cc1,OCC(O)CO,425.0
6096,CCN(CC)c1ccc2c(/C=C3\Sc4ccccc4N3C)cc(N3CCN(CCO)CC3)[o+]c2c1,CCO,481.0
4066,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)s3)ccc21,C1CCOC1,442.0
4059,CCCCCCN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)s3)ccc21,C1CCOC1,442.0
3271,CCCCCCCCCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3ccc(-c4ccc5c6cc(/C=C(\C#N)C(=O)O)ccc6n(CCCCCCCCCCCC)c5c4)c4nsnc34)ccc21,CN(C)C=O,440.0
9808,COc1ccc2cc(/C=C/c3cc[nH+]c4ccccc34)ccc2c1,ClC(Cl)Cl,427.0
12285,N#C/C(=C/c1ccc(-c2ccc3sc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3c2)s1)C(=O)O,C1CCOC1,414.0
15283,c1ccc(N(c2ccccc2)c2ccc(-c3ncc(-c4cccs4)s3)cc2)cc1,CO,387.0
15501,c1ccc2cc3c(cc2c1)oc1c2oc4cc5ccccc5cc4c2c2ccccc2c31,C1CCOC1,395.0
768,CC(C)(C)C1=CC(=Cc2cc3sc(/C=C(\C#N)C(=O)O)cc3s2)C=C(C(C)(C)C)O1,ClCCl,562.0
7800,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)C3C=CCCC3)cc2)cc1,CS(C)=O,428.0
1244,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)cc3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,349.0
4331,CCCCCCOc1ccc(N(c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccccc3OCCCCCC)cc2)c2cc3c4ccccc4n(CCCCCC)c3cc2OCCCCCC)cc1,ClCCl,535.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,CCOC(C)=O,465.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,CN(C)C=O,478.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,CO,475.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,CS(C)=O,483.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,Cc1ccccc1,472.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,ClC(Cl)Cl,479.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,ClCCl,476.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,C1CCOC1,468.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,C1COCCO1,466.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,CC#N,471.0
7915,CN(c1ccccc1)c1ccc(/C=C2\C(=O)c3ccccc3S2(=O)=O)cc1,CC(C)=O,470.0
5360,CCCCN1NC2C(N1)C(c1ccc(/C=C(\C#N)C(=O)O)cc1)C1N[NH+](CCCC)[N-]C1C2c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,520.0
7067,CCc1ccc(-n2cc3ccccc3c/c2=N/S(=O)(=O)c2ccc(C)cc2)cc1,CC#N,434.0
11375,Cc1ccc(S(=O)(=O)/N=c2/cc3cc(C)ccc3cn2-c2ccccc2)cc1,CC#N,427.0
11376,Cc1ccc(S(=O)(=O)/N=c2/cc3cc(F)ccc3cn2-c2ccccc2)cc1,CC#N,424.0
11377,Cc1ccc(S(=O)(=O)/N=c2/cc3ccc(Cl)cc3cn2-c2ccccc2)cc1,CC#N,443.0
11378,Cc1ccc(S(=O)(=O)/N=c2/cc3ccc(F)cc3cn2-c2ccccc2)cc1,CC#N,443.0
11379,Cc1ccc(S(=O)(=O)/N=c2/cc3cccc(F)c3cn2-c2ccccc2)cc1,CC#N,440.0
11380,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(Br)cc2)cc1,CC#N,436.0
11381,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(C)c(C)c2)cc1,CC#N,433.0
11382,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(C)cc2C)cc1,CC#N,432.0
11383,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(CCC(=O)O)cc2)cc1,CC#N,434.0
11384,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(CCN=[N+]=[N-])cc2)cc1,CC#N,435.0
11385,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(CCO)cc2)cc1,CC#N,434.0
11386,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(Cl)cc2)cc1,CC#N,435.0
11387,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(Cl)cc2C)cc1,CC#N,434.0
11388,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(F)cc2)cc1,CC#N,435.0
11389,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(I)cc2)cc1,CC#N,435.0
11390,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2cccc(Br)c2)cc1,CC#N,437.0
11391,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2cccc(Cl)c2)cc1,CC#N,436.0
11394,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccccc2)cc1,CC#N,433.0
11395,Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccccc2C)cc1,CC#N,432.0
8788,COc1cc(OC)cc(-n2cc3ccccc3c/c2=N/S(=O)(=O)c2ccc(C)cc2)c1,CC#N,433.0
10062,CSc1cccc(-n2cc3ccccc3c/c2=N/S(=O)(=O)c2ccc(C)cc2)c1,CC#N,434.0
9204,COc1ccc(-n2cc3ccccc3c/c2=N/S(=O)(=O)c2ccc(C)cc2)cc1,CC#N,434.0
9205,COc1ccc(-n2cc3ccccc3c/c2=N/S(=O)(=O)c2ccc(C)cc2)cc1OC,CC#N,434.0
11025,Cc1ccc(-n2cc3ccccc3c/c2=N/S(=O)(=O)c2ccc(C)cc2)cc1,CC#N,434.0
4439,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccc(C=C(C#N)C(=O)O)s7)sc6-c6ccc(-c7ccc(N(c8ccc(OCCCCCC)cc8)c8ccc(OCCCCCC)cc8)cc7)s6)s5)c(-c5ccc(C=C(C#N)C(=O)O)s5)s4)s3)cc2)cc1,ClC(Cl)Cl,480.0
15026,c1ccc(-c2nc(-c3c[nH]c4ccccc34)n3ccccc23)cc1,O,390.0
15026,c1ccc(-c2nc(-c3c[nH]c4ccccc34)n3ccccc23)cc1,C1CCCCC1,382.0
15026,c1ccc(-c2nc(-c3c[nH]c4ccccc34)n3ccccc23)cc1,CC#N,381.0
15026,c1ccc(-c2nc(-c3c[nH]c4ccccc34)n3ccccc23)cc1,CO,372.0
15026,c1ccc(-c2nc(-c3c[nH]c4ccccc34)n3ccccc23)cc1,ClCCl,380.0
14953,c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3c3c5ccccc5c(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc3c3ccccc43)c2)cc1,C1CCOC1,387.0
14251,O=S1(=O)C(c2cccs2)=C(c2cccs2)c2ccccc21,C1CCOC1,372.0
12283,N#C/C(=C/c1ccc(-c2ccc3oc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3c2)s1)C(=O)O,C1CCOC1,406.0
5648,CCCCn1c(-c2ccc(-c3nnc(-c4ccc(-c5nc6ccccc6n5CCCC)cc4)o3)cc2)nc2ccccc21,ClCCl,331.0
1604,CC1(C)C(c2ccc(/C=C(\C#N)C(=O)O)o2)=Nc2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,453.0
13689,O=C(O)c1cc2c(ccc3ccccc32)oc1=O,C1COCCO1,372.0
13689,O=C(O)c1cc2c(ccc3ccccc32)oc1=O,CC#N,376.0
13689,O=C(O)c1cc2c(ccc3ccccc32)oc1=O,CCCCO,372.0
13689,O=C(O)c1cc2c(ccc3ccccc32)oc1=O,CCO,363.0
13689,O=C(O)c1cc2c(ccc3ccccc32)oc1=O,CO,364.0
13689,O=C(O)c1cc2c(ccc3ccccc32)oc1=O,O,376.0
103,C#Cc1ccc2ccc3oc(=O)cc(C)c3c2c1,CCO,362.0
10629,Cc1cc(=O)oc2ccc3ccc(O)cc3c12,CCO,350.0
10629,Cc1cc(=O)oc2ccc3ccc(O)cc3c12,CC#N,347.0
13802,O=C([O-])c1cc2c(ccc3ccccc32)oc1=O,O,360.0
1732,CC1(C)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc21,C1CCOC1,505.0
12451,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C#N)cc5)cc4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C#N)cc5)cc4)cc3)cc2)cc1)c1ccc(C#N)cc1,C1CCOC1,428.0
12644,N#CC(=Cc1cc2sc(-c3cccs3)cc2s1)C(=O)O,CCO,399.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,C1CCCCC1,639.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,C1COCCO1,638.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CC(C)=O,638.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CCCCCCCCCCO,644.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CCCCCCCO,641.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CCCCCCO,642.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CCCCO,639.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CCO,637.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CN(C)C=O,643.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CO,636.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,CS(C)=O,644.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,ClC(Cl)(Cl)Cl,642.0
11362,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1,c1ccccc1,642.0
11485,Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)c(-c3ccccc3)nc2c1,C1COCCO1,430.0
11485,Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)c(-c3ccccc3)nc2c1,CC#N,433.0
11485,Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)c(-c3ccccc3)nc2c1,ClCCl,436.0
7457,CN(C)c1ccc(/C=C/c2nc3cc(Br)ccc3nc2-c2ccccc2)cc1,C1COCCO1,445.0
7457,CN(C)c1ccc(/C=C/c2nc3cc(Br)ccc3nc2-c2ccccc2)cc1,CC#N,448.0
7457,CN(C)c1ccc(/C=C/c2nc3cc(Br)ccc3nc2-c2ccccc2)cc1,ClCCl,453.0
7458,CN(C)c1ccc(/C=C/c2nc3ccc(Br)cc3nc2-c2ccccc2)cc1,C1COCCO1,445.0
7458,CN(C)c1ccc(/C=C/c2nc3ccc(Br)cc3nc2-c2ccccc2)cc1,CC#N,448.0
7458,CN(C)c1ccc(/C=C/c2nc3ccc(Br)cc3nc2-c2ccccc2)cc1,ClCCl,453.0
3620,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c1cc1c2/C(=C2/C=CC(=N2)/C=3c2c(OCCCCCCCC)cccc2OCCCCCCCC)c2sc(C#Cc3ccc(OCCCCCC)cc3)cc2C1(CCCC)CCCC,C1CCOC1,470.0
5087,CCCCCCn1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2c2cc(C=C3SC(=S)N(CC(=O)O)C3=O)ccc21,CN(C)C=O,450.0
5077,CCCCCCn1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2c2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc21,CN(C)C=O,450.0
4080,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc4c(c3)C(c3ccccc3OC)=[N+]3C4Cc4c5ccccc5c(-c5ccccc5OC)n4[B-]3(F)F)ccc21,C1CCOC1,638.0
7936,CN1/C(=C/C=O)C(C)(C)c2ccccc21,CS(C)=O,338.0
7934,CN1/C(=C/C=C/C=O)C(C)(C)c2ccccc21,CS(C)=O,410.0
899,CC(C)(C)c1cc(-c2ccc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc4c5cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccc5c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4c3c2)cc(C(C)(C)C)c1,ClCCl,351.0
4364,CCCCCCOc1ccc(N(c2ccc(C#Cc3ccc(C#Cc4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,403.0
11104,Cc1ccc(C(c2ccc(C)cc2)c2ccc(N3c4ccc(/C=C(\C#N)C(=O)O)cc4Sc4cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc43)cc2)cc1,C1CCOC1,474.0
1152,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5cccc(C(C)(C)C)c5)c5c6cccc7c(C#Cc8cc(C(=O)O)nc(C(=O)O)c8)ccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,536.0
1147,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6ccc(C#Cc7cc(C(=O)O)nc(C(=O)O)c7)c7cccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,536.0
1147,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6ccc(C#Cc7cc(C(=O)O)nc(C(=O)O)c7)c7cccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,ClCCl,534.0
2654,CCCCC(CC)COc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6cnc(-c7cc8c(s7)-c7sc(/C=C(\C#N)C(=O)O)cc7C8(CC(CC)CCCC)CC(CC)CCCC)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5C5CCCC54)cc3)c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)cc2)c(OCC(CC)CCCC)c1,ClCCl,562.0
15403,c1ccc2c(c1)NB1Nc3ccccc3-c3cccc-2c31,ClCCl,351.0
3950,CCCCCCN1B2c3c(cccc3-c3ccccc3N2CCCCCC)-c2ccccc21,ClCCl,359.0
4909,CCCCCCc1ccc(-c2ccc(-c3cc4sc(C=C(C#N)C(=O)O)cc4s3)s2)s1,CCO,433.0
9792,COc1ccc2cc(-c3cc(-c4ccccc4)c4n3[B-](F)(F)[N+]3=C5C=NC=CN5[B-](F)(F)[N+]3=C4)ccc2c1,ClCCl,536.0
4111,CCCCCCN1c2ccc(C=C(C#N)C(=O)O)cc2Sc2cc(N(c3ccc(C(C)(C)c4ccccc4)cc3)c3ccc(C(C)(C)c4ccccc4)cc3)ccc21,ClCCl,478.0
5129,CCCCCCn1c2ccccc2c2cc(N3c4ccc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)c6nsnc56)cc4C4CCCC43)ccc21,ClCCl,554.0
5130,CCCCCCn1c2ccccc2c2cc(N3c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)c6nsnc56)cc4[C@@H]4CCC[C@@H]43)ccc21,ClCCl,554.0
1832,CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)oc4c3)cc21,CCO,463.0
14871,c1cc2cc(c1)c1ccc3c(c1)c1cc(ccc1[C@]14OCCO[C@]31OCCO4)c1ccc3c(c1)c1cc(ccc1[C@]14OCCO[C@]31OCCO4)c1cccc2c1,ClC(Cl)Cl,260.0
11281,Cc1ccc(N2C(c3ccccc3[NH-])=[NH+]C(c3ccccc3)C2c2ccccc2)cc1,Cc1ccccc1,328.0
4135,CCCCCCN1c2ccccc2Sc2cc(-n3cc(/C=C(\C#N)C(=O)O)c4ccccc43)ccc21,CCO,379.0
10003,COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,ClCCl,430.0
10003,COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CC#N,407.0
10003,COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CC(C)=O,408.0
10003,COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CCO,409.0
10003,COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CN(C)C=O,410.0
10003,COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CO,407.0
10003,COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CS(C)=O,410.0
10003,COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,ClC(Cl)Cl,433.0
6391,CCN1CCN(CC)c2cc3c(cc21)Oc1cc2c(cc1=C3c1ccccc1C(=O)[O-])N(CC)CC[N+]=2CC,CCO,588.0
201,C(=C/c1c2ccccc2cc2ccccc12)\c1ccccc1/C=C/c1ccc2ccc3cccc4ccc1c2c34,CS(C)=O,379.0
201,C(=C/c1c2ccccc2cc2ccccc12)\c1ccccc1/C=C/c1ccc2ccc3cccc4ccc1c2c34,ClCCl,375.0
201,C(=C/c1c2ccccc2cc2ccccc12)\c1ccccc1/C=C/c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,370.0
256,C(=C/c1ccccn1)\c1ccc(N(c2ccc(/C=C/c3ccccn3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(/C=C/c5ccccn5)cc4)c4ccc(/C=C/c5ccccn5)cc4)cc3)cc2)cc1,C1CCOC1,383.0
256,C(=C/c1ccccn1)\c1ccc(N(c2ccc(/C=C/c3ccccn3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(/C=C/c5ccccn5)cc4)c4ccc(/C=C/c5ccccn5)cc4)cc3)cc2)cc1,Cc1ccccc1,378.0
15178,c1ccc(-p2c3ccccc3c3sc4ccccc4c32)cc1,C1CCCCC1,319.0
15178,c1ccc(-p2c3ccccc3c3sc4ccccc4c32)cc1,CC#N,314.0
15178,c1ccc(-p2c3ccccc3c3sc4ccccc4c32)cc1,CCO,314.0
15178,c1ccc(-p2c3ccccc3c3sc4ccccc4c32)cc1,ClCCl,317.0
8303,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(Oc4ccccc4)cc3)sc12,CC#N,396.0
8303,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(Oc4ccccc4)cc3)sc12,ClCCl,398.0
3476,CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(N(c3ccccc3)c3ccccc3)s2)c2nsnc2c1-c1ccc(/C=C(/C#N)C(=O)O)s1,ClCCl,531.0
12668,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)c3nsnc23)s1)C(=O)O,C1CCOC1,541.0
7513,CN(C)c1ccc(C#Cc2ccc3c(N(C)C)cc(-c4ccccc4)cc3c2)cc1,CC#N,342.1333333
7513,CN(C)c1ccc(C#Cc2ccc3c(N(C)C)cc(-c4ccccc4)cc3c2)cc1,CCO,335.7333333
7513,CN(C)c1ccc(C#Cc2ccc3c(N(C)C)cc(-c4ccccc4)cc3c2)cc1,ClCCl,341.0
694,CC(=O)c1ccc(C#Cc2ccc3c(N(C)C)cc(-c4ccccc4)cc3c2)cc1,ClCCl,319.0
10413,Cc1cc(-c2ccccc2C)cc(C)[o+]1,CC#N,327.0
10413,Cc1cc(-c2ccccc2C)cc(C)[o+]1,ClCCl,343.0
10399,Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(C)[o+]1,CC#N,345.0
3256,CCCCCCCCCCCCc1ccc(-c2cc(C)[o+]c(C)c2)cc1,CC#N,350.0
3256,CCCCCCCCCCCCc1ccc(-c2cc(C)[o+]c(C)c2)cc1,ClCCl,370.0
10399,Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(C)[o+]1,ClCCl,365.0
10940,Cc1ccc(-c2cc(C)[o+]c(C)c2)cc1,CC#N,347.0
10940,Cc1ccc(-c2cc(C)[o+]c(C)c2)cc1,ClCCl,365.0
679,CC(=O)c1ccc(-c2cc(C)[o+]c(C)c2)cc1,ClCCl,336.0
10411,Cc1cc(-c2ccccc2)cc(C)[o+]1,ClCCl,343.0
10411,Cc1cc(-c2ccccc2)cc(C)[o+]1,CC#N,326.0
12848,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClC(Cl)Cl,461.0
11998,FS(F)(F)(F)(F)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,347.0
12474,N#C/C(=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1)C(=O)O,ClCCl,420.0
9585,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)cc3)cc2)cc1,ClC(Cl)Cl,483.0
12476,N#C/C(=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,431.0
14565,OB(O)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCCCC1,332.8
14565,OB(O)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,331.0
14565,OB(O)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCO,329.6
12693,N#CC(=Cc1ccc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(C(=O)O)cc3)cc2)cc1)C(=O)O,CN(C)C=O,423.0
14565,OB(O)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCOCC,330.0
14565,OB(O)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CO,326.0
12696,N#CC(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,426.0
4513,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)cc1,C1CCOC1,405.0
12846,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(C(=O)O)cc3)cc2)cc1,CN(C)C=O,423.0
11998,FS(F)(F)(F)(F)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CC(C)=O,344.0
11998,FS(F)(F)(F)(F)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,349.0
11544,Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)cc2)c1,C1CCOC1,387.0
11234,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)cc3)cc2)cc1,ClC(Cl)Cl,477.0
2601,CCCCC(CC)CN1C(=O)c2ccc3c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc5c6c(cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(CC)CCCC)C5=O,ClC(Cl)Cl,563.0
3411,CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc5c6c(cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,563.0
4871,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1sc(-c2ccc(-c3ccc4c(c3)N(c3ccc(C)cc3)C3CCCC43)c3nsnc23)cc1CCCCCC,ClCCl,513.0
4746,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)N(c3ccc(C)cc3)C3CCCC43)c3nsnc23)sc1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClCCl,536.0
13452,Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1,O,294.9852507
12648,N#CC(=Cc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,C1CCOC1,443.0
3284,CCCCCCCCCCN1c2ccccc2Sc2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4s3)ccc21,CN(C)C=O,405.0
10146,C[P+](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12,ClCCl,402.0
10146,C[P+](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12,O,373.0
10146,C[P+](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12,CC#N,380.0
10146,C[P+](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12,CO,383.0
14830,c1cc(-c2cc3ccc4cc(-c5ccncc5)cc5ccc(c2)c3c45)ccn1,Cc1ccccc1,340.0
11516,Cc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)n1,CS(C)=O,556.0
15369,c1ccc2c(c1)-c1c(ccc3ccccc13)C21c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21,ClC(Cl)Cl,364.0
2926,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C=C(C#N)C(=O)O)o4)cc3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21,ClCCl,449.0
8931,COc1ccc(-c2c3cc4ccccc4cc3c(C#Cc3ccccc3)c3cc4cc(C)sc4cc23)cc1,ClCCl,580.0
3063,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/c3nc4ccccc4s3)c3cccc4c5cccc6c(/C=C/c7nc8ccccc8s7)cc1c(c65)c2c34,ClCCl,521.0
3063,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/c3nc4ccccc4s3)c3cccc4c5cccc6c(/C=C/c7nc8ccccc8s7)cc1c(c65)c2c34,C1CCCCC1,517.0
3063,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/c3nc4ccccc4s3)c3cccc4c5cccc6c(/C=C/c7nc8ccccc8s7)cc1c(c65)c2c34,CC#N,516.0
3063,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/c3nc4ccccc4s3)c3cccc4c5cccc6c(/C=C/c7nc8ccccc8s7)cc1c(c65)c2c34,Cc1ccccc1,524.0
1009,CC(C)(C)c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc(C(C)(C)C)cc5)c(C(=O)NC5CCCCC5)s4)s3)sc2C(=O)NC2CCCCC2)cc1,ClCCl,394.0
1122,CC(C)(C)c1ccc(N(c2ccc(-c3nnc(-c4ccc(-c5ccc(C=C(C(=O)O)c6ccccc6)s5)s4)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1,ClC(Cl)Cl,443.0
9365,COc1ccc(C(=Cc2ccc(-c3ccc(-c4nnc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)s4)s3)s2)C(=O)O)cc1,ClC(Cl)Cl,444.0
12391,N#C/C(=C\c1ccc(-c2ccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc2)s1)C(=O)O,ClCCl,376.0
11340,Cc1ccc(N2c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)s4)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,504.0
11341,Cc1ccc(N2c3ccc(/C=C/c4ccc(C=C(C#N)C(=O)O)s4)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,504.0
11348,Cc1ccc(N2c3ccc(C=Cc4ccc(C=C(C#N)C(=O)O)s4)cc3C3CCCC32)cc1,ClCCl,529.0
5162,CCCCCN1c2ccccc2Oc2cc(/C=C/c3cc(OCC)c(/C=C(/C#N)C(=O)O)cc3OCC)ccc21,ClCCl,509.0
15066,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)n2)cc1,Cc1ccccc1,372.0
2971,CCCCCCCCC(CCCCCC)Cn1c2cc(C#Cc3ccc(C#Cc4ccc(C(=O)O)cc4)c4nsnc34)c3cccc4c5cccc6c(N(c7ccc(OCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc1c(c65)c2c34,C1CCOC1,569.0
4032,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21,C1CCOC1,451.0
1063,CC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(-c5c(-c6ccccc6)nc6ccccn56)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,364.0
10421,Cc1cc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)ccc1-c1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1,ClCCl,364.0
13695,O=C(O)c1ccc(-c2c3ccc4cc(O)ccc4c3oc3c2ccc2cc(=O)ccc23)c(C(=O)O)c1,O,599.0
1100,CC(C)(C)c1ccc(C2=c3sc(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)c3=[N+]3C2=Nc2c(-c4ccc(C(C)(C)C)cc4)c4sc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)c4n2[B-]3(F)F)cc1,ClC(Cl)Cl,767.0
9484,COc1ccc(C2=c3sc(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)c3=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c4sc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)c4n2[B-]3(F)F)cc1,ClC(Cl)Cl,784.0
2497,CCCC1(CCC)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3-4)cc21,Cc1ccccc1,357.0
3448,CCCCCCCCN1c2ccccc2Sc2cc(-c3ccc(-c4ccc5c(c4)Sc4ccccc4N5CCCCCCCC)c4nc5c6cccnc6c6ncccc6c5nc34)ccc21,ClCCl,493.0
13346,Nc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(=[NH2+])cc-3sc2c1,O,520.0
1306,CC(C)(C)c1cccc(-[n+]2nc3cc(C(C)(C)C)ccc3c3ccc(-c4ccccc4)cc32)c1,ClCCl,478.0
12882,N#CC(C(=O)O)=C1C=C(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)OC(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1,ClCCl,460.0
9908,COc1cccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)c1,C1CCOC1,677.0
9908,COc1cccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)c1,CC#N,670.0
9908,COc1cccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)c1,Cc1ccccc1,682.0
9908,COc1cccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)c1,ClCCl,677.0
1099,CC(C)(C)c1ccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)cc1,CC#N,677.0
1099,CC(C)(C)c1ccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)cc1,Cc1ccccc1,687.0
1099,CC(C)(C)c1ccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)cc1,ClCCl,683.0
1099,CC(C)(C)c1ccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)cc1,C1CCCCC1,687.0
1099,CC(C)(C)c1ccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)cc1,C1CCOC1,683.0
9908,COc1cccc(C2=c3c(c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc34)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]3(F)F)c1,C1CCCCC1,680.0
13028,N#Cc1cc(-c2ccc(F)cc2)cnc1O,O,343.0
13028,N#Cc1cc(-c2ccc(F)cc2)cnc1O,C1COCCO1,356.0
13028,N#Cc1cc(-c2ccc(F)cc2)cnc1O,CC#N,355.0
13028,N#Cc1cc(-c2ccc(F)cc2)cnc1O,CC(C)O,354.0
13028,N#Cc1cc(-c2ccc(F)cc2)cnc1O,CCO,352.0
13028,N#Cc1cc(-c2ccc(F)cc2)cnc1O,CO,350.0
13028,N#Cc1cc(-c2ccc(F)cc2)cnc1O,CS(C)=O,362.0
13028,N#Cc1cc(-c2ccc(F)cc2)cnc1O,ClC(Cl)(Cl)Cl,350.0
11273,Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(/C=C/c5sc(/C=C(/C#N)C(=O)O)c6c5OCCO6)cc4)c4ccc(C)cc4C)cc3)cc2)c(C)c1,C1CCOC1,511.0
12242,Fc1ccccc1-c1c2cc(Cl)ccc2nc2cc3ccccc3cc12,ClCCl,402.0
12183,Fc1ccc(-c2c3ccccc3nc3cc4ccccc4cc23)cc1,ClCCl,400.0
14389,O=[N+]([O-])c1ccc2nc3cc4ccccc4cc3c(-c3ccccc3)c2c1,ClCCl,400.0
11789,Clc1ccc2nc3cc4ccccc4cc3c(-c3ccccc3)c2c1,ClCCl,402.0
9842,COc1ccc2nc(N)sc2c1,CC#N,305.0
9842,COc1ccc2nc(N)sc2c1,ClCCl,305.0
13455,Nc1nc2ccc(Br)cc2s1,CC#N,269.0
13455,Nc1nc2ccc(Br)cc2s1,ClCCl,268.0
13457,Nc1nc2ccc([N+](=O)[O-])cc2s1,CC#N,355.0
13457,Nc1nc2ccc([N+](=O)[O-])cc2s1,ClCCl,346.0
6819,CCOC(=O)c1ccc2nc(N)sc2c1,CC#N,293.0
6819,CCOC(=O)c1ccc2nc(N)sc2c1,ClCCl,293.0
3057,CCCCCCCCCCC1(CCCCCCCCCC)c2cc(N3C(=O)c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)C3=O)c86)C(=O)N(c3ccc4c(c3)C(CCCCCCCCCC)(CCCCCCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)C7=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,527.0
3057,CCCCCCCCCCC1(CCCCCCCCCC)c2cc(N3C(=O)c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)C3=O)c86)C(=O)N(c3ccc4c(c3)C(CCCCCCCCCC)(CCCCCCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)C7=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,528.0
1028,CC(C)(C)c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)cc1,ClCCl,511.0
8657,COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1ccncc1,Cc1ccccc1,395.0
8657,COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1ccncc1,C1CCOC1,394.0
8657,COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1ccncc1,CC#N,392.0
8657,COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1ccncc1,CN(C)C=O,396.0
224,C(=C/c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)\c1ccncc1,CC#N,357.0
224,C(=C/c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)\c1ccncc1,CO,349.0
224,C(=C/c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)\c1ccncc1,ClCCl,363.0
224,C(=C/c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)\c1ccncc1,C1CCOC1,367.0
2748,CCCCC(CC)Cn1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(CC(CC)CCCC)c4c3)cc21,C1CCOC1,352.0
15379,c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccncc3)cc21,C1CCCCC1,321.0
5133,CCCCCCn1c2ccccc2c2cc3c4cc5c6ccccc6n(CCCCCC)c5cc4c4cc5c(C)cc(=O)oc5cc4c3cc21,ClC(Cl)Cl,393.0
11144,Cc1ccc(C2=C3C=CC(N4CCOCC4)=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)cc1,ClCCl,570.0
12908,N#CSC1=CC2=C(c3ccccc3)c3cc(SC#N)c(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CC#N,588.0
12908,N#CSC1=CC2=C(c3ccccc3)c3cc(SC#N)c(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CCCCCC,599.0
12908,N#CSC1=CC2=C(c3ccccc3)c3cc(SC#N)c(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CCOC(C)=O,593.0
12908,N#CSC1=CC2=C(c3ccccc3)c3cc(SC#N)c(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CO,585.0
12119,F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CC#N,566.0
12119,F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CCCCCC,573.0
12119,F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CCOC(C)=O,570.0
12119,F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CO,561.0
12119,F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,ClCCl,572.0
12908,N#CSC1=CC2=C(c3ccccc3)c3cc(SC#N)c(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,ClCCl,596.0
12909,N#CSC1=CC2=C(c3ccccc3)c3ccc(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CC#N,476.0
12909,N#CSC1=CC2=C(c3ccccc3)c3ccc(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CCCCCC,520.0
12909,N#CSC1=CC2=C(c3ccccc3)c3ccc(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CCOC(C)=O,487.0
12909,N#CSC1=CC2=C(c3ccccc3)c3ccc(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,CO,477.0
12909,N#CSC1=CC2=C(c3ccccc3)c3ccc(N4CCOCC4)n3[B-](F)(F)[N+]2=C1N1CCOCC1,ClCCl,495.0
4535,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cnc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,ClCCl,585.0
12727,N#CC(=Cc1ccc(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,548.0
12493,N#C/C(=C\c1ccc(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,ClCCl,546.0
12727,N#CC(=Cc1ccc(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,ClCCl,546.0
2927,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C=C5SC(=S)N(CC(=O)O)C5=O)o4)cc3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21,ClCCl,533.0
4939,CCCCCCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CCCCCC)s3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(/C=C(\C#N)C(=O)O)s2)=C2/C=CC(=N2)/C=4c2ccc(CCCCCC)s2)s1,ClC(Cl)Cl,560.0
4874,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1/C1=C2\C=CC(=N2)/C(c2ccc(C)s2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccc(C)s1)=C1/C=CC(=N1)/C=3c1ccc(C)s1,ClC(Cl)Cl,558.0
11044,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)s3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(/C=C(\C#N)C(=O)O)s2)=C2/C=CC(=N2)/C=4c2ccc(C)s2)s1,ClC(Cl)Cl,560.0
3653,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(O)c(=O)cc2)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,660.0
12321,N#C/C(=C/c1sc(/C=N/N(c2ccccc2)c2ccccc2)c2c1OCCO2)C(=O)O,C1CCOC1,490.0
12618,N#C/C(=C\c1sc(/C=N/N(c2ccccc2)c2ccccc2)c2c1OCCO2)C(=O)O,C1CCOC1,490.0
14924,c1ccc(-c2c(-c3ccccc3)c3c4ccsc4c(-c4ccccc4)c(-c4ccccc4)[n+]3c3ccccc23)cc1,ClCCl,436.0
13015,N#Cc1c(N2CCCCC2)cc(-c2cccs2)c2c1-c1cccc3cccc-2c13,O,458.0
2568,CCCCC(CC)CN1C(=O)/C(=C2/C(=O)N(CC(CC)CCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc32)c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)cc21,ClCCl,579.0
5529,CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(C[C@H](CC)CCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc32)c2ccc(-c3ccc4c(c3)[C@@H]3CCC[C@@H]3N4c3ccc(C)cc3)cc21,ClCCl,579.0
14876,c1cc2cc3ccc(N4CCC4)cc3nc2cc1N1CCC1,O,492.0
5051,CCCCCCn1c2cc(C=C(C#N)C(=O)O)ccc2c2ccc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)cc21,ClCCl,397.0
13855,O=C(c1ccccc1)c1cnn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1,C1CCOC1,368.0
15047,c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1,Cc1ccccc1,311.0
14247,O=S(=O)(c1cccc(N2c3ccccc3Sc3ccccc32)c1)c1cccc(N2c3ccccc3Sc3ccccc32)c1,ClC(Cl)Cl,296.0
14247,O=S(=O)(c1cccc(N2c3ccccc3Sc3ccccc32)c1)c1cccc(N2c3ccccc3Sc3ccccc32)c1,C1CCOC1,305.0
14247,O=S(=O)(c1cccc(N2c3ccccc3Sc3ccccc32)c1)c1cccc(N2c3ccccc3Sc3ccccc32)c1,Cc1ccccc1,304.0
11958,FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3Oc3ccccc31)[n+]1ccc3ccccc3c1-2,Cc1ccccc1,378.0
11958,FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3Oc3ccccc31)[n+]1ccc3ccccc3c1-2,ClCCl,372.0
11958,FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3Oc3ccccc31)[n+]1ccc3ccccc3c1-2,C1CCCCC1,375.0
13596,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cc4c5c(c3)CCCN5CCC4)s2)SC1=S,CCO,493.0
15110,c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1,Cc1ccccc1,340.0
1044,CC(C)(C)c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccc(C(C)(C)C)cc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1,Cc1ccccc1,344.0
4705,CCCCCCc1cc(-c2cc(CCCCCC)c(-c3ccc(N(c4ccc5c(c4)n(CCCCCC)c(=S)n5CCCCCC)c4ccc5c(c4)n(CCCCCC)c(=S)n5CCCCCC)cc3)s2)sc1/C=C(\C#N)C(=O)O,CC#N,440.0
5015,CCCCCCn1c(=S)n(CCCCCC)c2cc(N(c3ccc(-c4cc(C)c(-c5sc(/C=C(/C#N)C(=O)O)cc5C)s4)cc3)c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)ccc21,ClCCl,466.0
5016,CCCCCCn1c(=S)n(CCCCCC)c2cc(N(c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)ccc21,CC#N,443.0
5016,CCCCCCn1c(=S)n(CCCCCC)c2cc(N(c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)ccc21,ClCCl,506.0
4852,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1sc(-c2ccc(N(c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)cc2)cc1CCCCCC,ClCCl,458.0
13022,N#Cc1c2nc3ccccn3c2nc2nc3ccccn3c12,C1CCCCC1,455.0
13022,N#Cc1c2nc3ccccn3c2nc2nc3ccccn3c12,C1COCCO1,460.0
13022,N#Cc1c2nc3ccccn3c2nc2nc3ccccn3c12,CC#N,480.0
13022,N#Cc1c2nc3ccccn3c2nc2nc3ccccn3c12,CN(C)C=O,490.0
13022,N#Cc1c2nc3ccccn3c2nc2nc3ccccn3c12,ClC(Cl)Cl,475.0
11468,Cc1ccc2cc3c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4c4ccccc4n3c2c1,C1CCOC1,453.0
4419,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c(OCCCCCC)c(OCCCCCC)c3sc(/C=C(\C#N)C(=O)O)cc34)cc2)cc1,ClC(Cl)Cl,459.0
3761,CCCCCCCCc1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4C#Cc2c3ccccc3c(C(=O)O)c3ccccc23)c2ccc(CCCCCCCC)cc2)cc1,C1CCOC1,661.0
3614,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c3ccccc3c(/C=C(\C#N)C(=O)O)c3ccccc23)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,660.0
3615,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c3ccccc3c(C(=O)O)c3ccccc23)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,657.0
3760,CCCCCCCCc1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4C#Cc2c3ccccc3c(/C=C(\C#N)C(=O)O)c3ccccc23)c2ccc(CCCCCCCC)cc2)cc1,C1CCOC1,661.0
6426,CCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])=c1cc2c(cc1C3(C)C)=[N+](CC)C(C)(C)C=C2C,CCO,700.0
6428,CCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1ccccc1C(=O)[O-])=c1cc2c(cc1C3(C)C)=[N+](CC)C(C)(C)C=C2C,CCO,670.0
10265,C[n+]1ccc2c(ccc3c[n+](C)ccc32)c1,CC#N,387.0
10839,Cc1cc2c(ccc3c(C)[n+](C)c(C)cc32)c(C)[n+]1C,CC#N,406.0
10840,Cc1cc2c(ccc3c[n+](C)c(C)cc32)c[n+]1C,CC#N,400.0
10365,Cc1c2ccc3c(C)[n+](C)ccc3c2cc[n+]1C,CC#N,390.0
15439,c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc3ccccn3n2)cc(-n2c3ccccc3c3ccccc32)c1,Cc1ccccc1,338.0
9805,COc1ccc2cc(/C=C/C3=C4CCc5ccccc5C4=[O+][B-](F)(F)O3)ccc2c1,ClCCl,479.0
12011,F[B-]1(F)N2C=C(Br)C=CC2=N/[N+]1=C/c1cccs1,CO,471.0
2833,CCCCCC1=C2C(C)=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C(C)=[N+]2[B-](F)(F)n2c(C)c(/C=C(/C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,552.0
13054,N#Cc1cc(N2c3ccccc3Oc3ccccc32)c(N2c3ccccc3Oc3ccccc32)cc1C#N,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,540.0
14511,O=c1ccc(-c2cccc(Cl)c2)nn1-c1cccs1,CS(C)=O,381.0
10786,Cc1cc(C)n2c1C=C1c3ccccc3C(c3c[nH]c4ccccc34)=[N+]1[B-]2(F)F,CCCCCC,580.0
10786,Cc1cc(C)n2c1C=C1c3ccccc3C(c3c[nH]c4ccccc34)=[N+]1[B-]2(F)F,CO,579.0
10786,Cc1cc(C)n2c1C=C1c3ccccc3C(c3c[nH]c4ccccc34)=[N+]1[B-]2(F)F,Cc1ccccc1,587.0
10786,Cc1cc(C)n2c1C=C1c3ccccc3C(c3c[nH]c4ccccc34)=[N+]1[B-]2(F)F,ClCCl,581.0
10786,Cc1cc(C)n2c1C=C1c3ccccc3C(c3c[nH]c4ccccc34)=[N+]1[B-]2(F)F,C1CCOC1,583.0
10786,Cc1cc(C)n2c1C=C1c3ccccc3C(c3c[nH]c4ccccc34)=[N+]1[B-]2(F)F,CC#N,575.0
4558,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)c4nc(CC)c(CC)nc34)cc2)cc1,ClCCl,532.0
4556,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)c4nc(C(=O)O)c(C(=O)O)nc34)cc2)cc1,ClCCl,667.0
4557,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)c4nc(C(=O)OCC)c(C(=O)OCC)nc34)cc2)cc1,ClCCl,665.0
14417,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccsc12,CC#N,294.0
14417,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccsc12,CCOC(C)=O,296.0
14417,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccsc12,CO,294.0
14417,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccsc12,O,292.0
4281,CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=c4\s/c(=C(\C#N)C(=O)O)nc4-c4ccccc4)ccc2N3CCCCCC)c(OCCCCCC)c1,ClCCl,638.0
4128,CCCCCCN1c2ccccc2Sc2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc21,ClCCl,478.0
5546,CCCC[C@H](CC)CN1c2ccccc2Sc2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,C1CCOC1,444.0
4925,CCCCCCc1ccc(-c2ccc3c(c2)Sc2cc(/C=C(\C#N)C(=O)O)ccc2N3CCCCCC)s1,ClCCl,457.0
4926,CCCCCCc1ccc(-c2ccc3c(c2)Sc2cc(C=C(C#N)C(=O)O)ccc2N3CCCCCC)s1,C1CCOC1,444.0
5547,CCCC[C@H](CC)CN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,444.0
2621,CCCCC(CC)CN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,467.0
5394,CCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(/C(=O)O)C(F)(F)F)s3)ccc21,ClCCl,424.0
5396,CCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,448.0
5397,CCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C(=O)O)C(F)(F)F)s3)ccc21,ClCCl,424.0
4126,CCCCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,435.0
4126,CCCCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,CN(C)C=O,416.0
3486,CCCCCCCCOc1cc(C)cc(OCCCCCCCC)c1-n1c2cc(-c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)c3cccc4c5cccc6c(-c7cc8c(s7)-c7sc(C=C(C#N)C(=O)O)cc7C8(CCCCCC)CCCCCC)cc1c(c65)c2c34,ClC(Cl)Cl,550.0
15282,c1ccc(N(c2ccccc2)c2ccc(-c3ncc(-c4ccc(-c5cnc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)s4)s3)cc2)cc1,CO,421.0
4291,CCCCCCOc1ccc(-c2nc3c(-c4ccc(N(c5ccc(OCCCCCC)cc5OCCCCCC)c5ccc(OCCCCCC)cc5OCCCCCC)cc4)ccc(-c4cc5c(s4)C(CCCCCC)(CCCCCC)c4cc(/C=C(\C#N)C(=O)O)sc4-5)c3nc2-c2ccc(OCCCCCC)cc2)cc1,ClCCl,545.0
4334,CCCCCCOc1ccc(N(c2ccc(-c3ccc(-c4cc5c(s4)C(CCCCCC)(CCCCCC)c4cc(/C=C(\C#N)C(=O)O)sc4-5)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)c2ccc(OCCCCCC)cc2OCCCCCC)c(OCCCCCC)c1,ClCCl,542.0
9466,COc1ccc(C2=[N+]3C(=Cc4c(C)c(CCC(=O)NCCCCCC(=O)ON5C(=O)CCC5=O)c(C)n4[B-]3(F)F)C=C2)cc1,CO,544.0
9047,COc1ccc(-c2ccc3c(c2)C=C2B(N3)OB3Nc4ccc(-c5ccc(OC)cc5)cc4C=C3C(c3ccccc3)=C2c2ccccc2)cc1,ClCCl,425.0
2082,CC1=CC(C)=[N+]2C1=Cc1c(C)c(C3=C(C)C4=Cc5c(C)cc(C)n5[B-](F)(F)[N+]4=C3C)c(C)n1[B-]2(F)F,ClCCl,526.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CO,417.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,Cc1ccccc1,413.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,ClC(Cl)(Cl)Cl,406.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,ClC(Cl)Cl,414.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,ClCCl,415.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,OCC(O)CO,424.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,OCCO,424.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,c1ccccc1,411.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,C1COCCO1,411.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CC#N,410.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CC(C)=O,409.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CCCCCC,401.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CCCCO,417.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CCCO,417.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CCO,417.0
7411,CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CN(C)C=O,419.0
6998,CC[NH+](CC)c1ccc(-c2nc3c(nc2-c2ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc2)c2ccccc2n3C)cc1,C1CCOC1,385.5555556
5954,CCN(CC)c1ccc(-c2nc3c(nc2-c2ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc2)c2ccccc2n3C)cc1,C1CCOC1,405.0
5024,CCCCCCn1c2c(c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc31)C(CC)(CC)c1ccccc1-2,ClCCl,477.0
5025,CCCCCCn1c2c(c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,473.0
5134,CCCCCCn1c2ccccc2c2ccc(-c3cc(-c4ccc(/C=C(/C#N)C(=O)O)s4)c(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,C1CCOC1,482.0
13009,N#Cc1c(N2CCCCC2)cc(-c2cccc3ccccc23)c2c1CCc1ccccc1-2,C1CCOC1,353.0
2737,CCCCC(CC)Cn1c2ccc(C(=C(C#N)C#N)c3ccccc3)cc2c2c(-c3ccc(Br)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1cc(C(=C(C#N)C#N)c2ccccc2)ccc1n3CC(CC)CCCC,C1CCOC1,460.0
2737,CCCCC(CC)Cn1c2ccc(C(=C(C#N)C#N)c3ccccc3)cc2c2c(-c3ccc(Br)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1cc(C(=C(C#N)C#N)c2ccccc2)ccc1n3CC(CC)CCCC,CC#N,462.0
2737,CCCCC(CC)Cn1c2ccc(C(=C(C#N)C#N)c3ccccc3)cc2c2c(-c3ccc(Br)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1cc(C(=C(C#N)C#N)c2ccccc2)ccc1n3CC(CC)CCCC,CCO,464.0
2737,CCCCC(CC)Cn1c2ccc(C(=C(C#N)C#N)c3ccccc3)cc2c2c(-c3ccc(Br)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1cc(C(=C(C#N)C#N)c2ccccc2)ccc1n3CC(CC)CCCC,CCOC(C)=O,457.0
2737,CCCCC(CC)Cn1c2ccc(C(=C(C#N)C#N)c3ccccc3)cc2c2c(-c3ccc(Br)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1cc(C(=C(C#N)C#N)c2ccccc2)ccc1n3CC(CC)CCCC,CN(C)C=O,467.0
2737,CCCCC(CC)Cn1c2ccc(C(=C(C#N)C#N)c3ccccc3)cc2c2c(-c3ccc(Br)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1cc(C(=C(C#N)C#N)c2ccccc2)ccc1n3CC(CC)CCCC,ClCCl,471.0
2737,CCCCC(CC)Cn1c2ccc(C(=C(C#N)C#N)c3ccccc3)cc2c2c(-c3ccc(Br)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1cc(C(=C(C#N)C#N)c2ccccc2)ccc1n3CC(CC)CCCC,c1ccccc1,458.0
2028,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(Oc5ccccc5)cc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
6268,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,C1CCOC1,461.0
6268,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,CC#N,469.0
6268,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,CCCCCC,431.0
6268,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,CS(C)=O,483.0
6268,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,Cc1ccccc1,459.0
6268,CCN(CC)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,ClCCl,477.0
7777,CN(C)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,Cc1ccccc1,457.0
7777,CN(C)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,ClCCl,469.0
7777,CN(C)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,C1CCOC1,455.0
7777,CN(C)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,CC#N,465.0
7777,CN(C)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,CCCCCC,425.0
7777,CN(C)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])o2)s1,CS(C)=O,475.0
10734,Cc1cc(C)c(C2=C3C=CC4=[N+]3[B-]3(Oc5ccccc54)Oc4ccccc4-c4ccc2n43)c(C)c1,ClC(Cl)Cl,626.0
12255,Ic1ccc(C2=C3C=CC4=[N+]3[B-]3(Oc5ccccc54)Oc4ccccc4-c4ccc2n43)cc1,ClC(Cl)Cl,630.0
7446,CN(C)c1ccc(/C=C/c2cnc(-c3ccncc3)o2)cc1,ClCCl,396.0
15226,c1ccc(CO[Si]23n4c5c6ccccc6c4/N=C4\N=C(/N=c6/c7ccccc7c(n62)=c2c6ccccc6c(n23)=N5)c2ccccc24)cc1,CN(C)C=O,658.0
10025,CSC1=C(SC)SC(=Cc2ccc(N(c3ccc(/C=C(/C#N)C(=O)O)cc3)c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2)S1,CO,433.0
4645,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(N(c3ccccc3)c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2)S1,CO,417.0
10026,CSC1=C(SC)SC(=Cc2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)S1,CO,433.0
10028,CSC1=C(SC)SC(=Cc2ccc(N(c3ccccc3)c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2)S1,CO,413.0
10029,CSC1=C(SC)SC(=Cc2ccc(N(c3ccccc3)c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)S1,CO,413.0
3300,CCCCCCCCCCSC1=C(SCCCCCCCCCC)SC(=Cc2ccc(N(c3ccccc3)c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2)S1,CO,418.0
3162,CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCC)cc(C2=c3ccc4n3[Zn]n3c(ccc3C(c3ccccc3OCCCCCCCCCCCC)=C3C=CC(=N3)C=4C#Cc3ccc(C(=O)O)cc3)C(C#Cc3c(OCCCCCC)cc(-n4c5ccccc5c5ccccc54)cc3OCCCCCC)=C3C=CC2=N3)c1,C1CCOC1,457.0
1681,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccccc2-c2ccc(C(=O)O)cc2)c(=O)oc31,CC#N,407.0
7136,CCn1c2ccc(-c3ccc(C=C(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)cc3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClC(Cl)Cl,445.0
6826,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1c3c4c(cc12)CCCN4CCC3,CCO,616.0
6826,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1c3c4c(cc12)CCCN4CCC3,ClC(Cl)Cl,625.0
6826,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1c3c4c(cc12)CCCN4CCC3,O,616.0
6948,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4c5c6c(cc4c3oc-2c1)CCCN6CCC5,CCO,612.0
6948,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4c5c6c(cc4c3oc-2c1)CCCN6CCC5,ClC(Cl)Cl,623.0
6948,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4c5c6c(cc4c3oc-2c1)CCCN6CCC5,O,612.0
1486,CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)s2)ccc1-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,C1CCOC1,455.0
1488,CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)ccc1-c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)c(F)c2)s1,C1CCOC1,423.0
4741,CCCCCCc1cc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc2c(c1)c1c(-c3ccccc3)c3c(c(-c4ccccc4)c1n2CCCCCC)c1ccccc1n3CCCCCC,C1CCOC1,424.0
15542,c1csc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)c1,CCO,581.0
15542,c1csc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)c1,ClCCl,582.0
1503,CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)OC5=O,Cc1ccccc1,523.0
5821,CCCNc1ccc(C)c2c1=NC(C)(C)N=2,CCO,564.0
15490,c1ccc2cc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)ccc2c1,ClCCl,377.0
14222,O=S(=O)([O-])c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(/C=C/c5ccc(S(=O)(=O)[O-])cc5S(=O)(=O)[O-])cc4)o3)cc2)c(S(=O)(=O)[O-])c1,C1CCOC1,349.0
14231,O=S(=O)([O-])c1ccccc1/C=C/c1ccc(-c2nnc(-c3ccc(/C=C/c4ccccc4S(=O)(=O)[O-])cc3)o2)cc1,C1CCOC1,346.0
14231,O=S(=O)([O-])c1ccccc1/C=C/c1ccc(-c2nnc(-c3ccc(/C=C/c4ccccc4S(=O)(=O)[O-])cc3)o2)cc1,CC(C)=O,344.0
14231,O=S(=O)([O-])c1ccccc1/C=C/c1ccc(-c2nnc(-c3ccc(/C=C/c4ccccc4S(=O)(=O)[O-])cc3)o2)cc1,CN(C)C=O,348.0
4496,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-c6ccc(C=C(C#N)C(=O)O)s6)ccc4-5)s3)cc2)cc1,Clc1ccccc1,465.0
15227,c1ccc(COc2c(-c3ccccc3)cc(-c3ccccc3)c3ccc[nH+]c23)cc1,CO,376.0
4897,CCCCCCc1cc2c3c(c1)c(=C(c1ccccc1)c1ccccc1)c1cc(CCCCCC)cc4c1-n-3-c1c(cc(CCCCCC)cc1c4=C(c1ccccc1)c1ccccc1)c2=C(c1ccccc1)c1ccccc1,ClCCl,405.0
1437,CC(C)[Si](C#Cc1cc2c3c(c1)c(=C(c1ccccc1)c1ccccc1)c1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4c1-n-3-c1c(cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1c4=C(c1ccccc1)c1ccccc1)c2=C(c1ccccc1)c1ccccc1)(C(C)C)C(C)C,ClCCl,404.0
6090,CCN(CC)c1ccc2c(/C=C/C=C/C=C/C=C3\N(CCC[SH](=O)([O-])O)c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)cc(C(C)(C)C)[o+]c2c1,CCO,844.0
5411,CCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(/C=C/c4ccncc4)c4nsnc34)ccc21,ClCCl,488.0
7419,CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,406.0
9257,COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,376.0
2995,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc2-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc21,Cc1ccccc1,365.0
2995,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc2-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc21,C1CCCCC1,357.0
2995,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc2-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc21,CCO,368.0
2995,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc2-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc21,CN(C)C=O,380.0
2986,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C#N)cc3)ccc2-c2ccc(-c3ccc(C#N)cc3)cc21,ClC(Cl)Cl,341.0
2995,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc2-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc21,CS(C)=O,382.0
2988,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C(=O)OC)cc3)ccc2-c2ccc(-c3ccc(C(=O)OC)cc3)cc21,ClC(Cl)Cl,341.0
2995,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc2-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc21,ClC(Cl)Cl,373.0
2996,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc([Si](C)(C)C)cc3)ccc2-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc21,ClC(Cl)Cl,330.0
2999,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21,ClC(Cl)Cl,327.0
8481,COCCC1(CCOC)c2cc(-c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc(OC)cc3)cc21,C1CCCCC1,321.0
2501,CCCC1(CCC)c2cc(-c3ccc(C(C)(C)CC)cc3)ccc2-c2ccc(-c3ccc(C(C)(C)CC)cc3)cc21,C1CCCCC1,328.0
2505,CCCC1(CCC)c2cc(-c3cccc(C)c3)ccc2-c2ccc(-c3cccc(C)c3)cc21,C1CCCCC1,306.0
196,C(=C/c1c2ccccc2cc2ccccc12)\c1ccc2ccccc2c1,CC#N,387.0
196,C(=C/c1c2ccccc2cc2ccccc12)\c1ccc2ccccc2c1,CC1CCCCC1,386.0
11204,Cc1ccc(N(C)C)cc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21,O,646.0
9660,COc1ccc(OC)c(C2=C3C=CC(=[N+](C)C)C=C3[Si](C)(C)c3cc(N(C)C)ccc32)c1,O,651.0
11134,Cc1ccc(C2=C3C=CC(=[N+](C)C)C=C3[Si](C)(C)c3cc(N(C)C)ccc32)c(C)c1,O,646.0
10806,Cc1cc(N(C)C)ccc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21,O,646.0
11107,Cc1ccc(C)c(C2=C3C=CC(=[N+](C)C)C=C3[Si](C)(C)c3cc(N(C)C)ccc32)c1,O,646.0
9974,COc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21,O,649.0
11591,Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21,O,646.0
6154,CCN(CC)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](CC)CC)C=CC1=C2c1ccccc1C(=O)O,O,650.0
9433,COc1ccc(C2=C3C=CC(=[N+](C)C)C=C3[Si](C)(C)c3cc(N(C)C)ccc32)c(C)c1,O,648.0
9434,COc1ccc(C2=C3C=CC(=[N+](C)C)C=C3[Si](C)(C)c3cc(N(C)C)ccc32)c(OC)c1,O,649.0
9386,COc1ccc(C)cc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21,O,649.0
7930,CN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)Sc2ccccc21,CS(C)=O,549.0
14895,c1cc2ccc3ccc(-n4c5ccccc5c5ccccc54)c4ccc(c1)c2c34,ClCCl,347.0
14895,c1cc2ccc3ccc(-n4c5ccccc5c5ccccc54)c4ccc(c1)c2c34,CCCCCC,344.0
14895,c1cc2ccc3ccc(-n4c5ccccc5c5ccccc54)c4ccc(c1)c2c34,CCO,344.0
14895,c1cc2ccc3ccc(-n4c5ccccc5c5ccccc54)c4ccc(c1)c2c34,CCOC(C)=O,344.0
15416,c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n1c3ccccc3nc21,Cc1ccccc1,376.0
3292,CCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCC)c1sc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc1c1cc(C=C(C#N)C(=O)O)sc12,C1CCOC1,493.0
5666,CCCCn1c(/C=C/c2ccc(/C=C(\C#N)C(=O)O)n2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,CCO,437.0
5665,CCCCn1c(/C=C/c2ccc(/C=C(/C#N)C(=O)O)n2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,CCO,437.0
4677,CCCCCC[Si]1(CCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2cc(-c3sc(-c4ccc(N(c5ccc(OCC(CC)CCCC)cc5)c5ccc(OCC(CC)CCCC)cc5)cc4)c4c3OCCO4)sc21,CN(C)C=O,495.0
1843,CC1(C)c2ccccc2-c2sc3ccccc3c21,ClCCl,330.0
4463,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)c6nsnc56)s4)s3)cc2)cc1,ClCCl,570.0
5706,CCCCn1c2cc(/C=C(\C#N)C(=O)O)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClCCl,387.0
7228,CCn1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,339.0
5706,CCCCn1c2cc(/C=C(\C#N)C(=O)O)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,387.0
5706,CCCCn1c2cc(/C=C(\C#N)C(=O)O)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CC#N,387.0
5706,CCCCn1c2cc(/C=C(\C#N)C(=O)O)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CCO,387.0
5706,CCCCn1c2cc(/C=C(\C#N)C(=O)O)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CN(C)C=O,387.0
5706,CCCCn1c2cc(/C=C(\C#N)C(=O)O)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,Cc1ccccc1,387.0
5706,CCCCn1c2cc(/C=C(\C#N)C(=O)O)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClC(Cl)Cl,387.0
2749,CCCCC(CC)Cn1c2ccccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,339.0
4210,CCCCCCOc1cc(N(CC)CC)ccc1/C=C/C(=C(C#N)C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,512.0
13850,O=C(c1ccccc1)c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1,Cc1ccccc1,358.0
4332,CCCCCCOc1ccc(N(c2ccc(-c3cc4c(s3)c3scc(C=C(C#N)C(=O)O)c3n4-c3ccc(OCCCCCC)cc3)cc2)c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2c4c(c5c(c2-3)C(CCCCCC)(CCCCCC)c2ccccc2-5)C(CCCCCC)(CCCCCC)c2ccccc2-4)cc1,ClCCl,534.0
9380,COc1ccc(C(=O)OCc2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1,CCO,439.0
11100,Cc1ccc(C(=O)OCc2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1,CCO,438.0
15221,c1ccc(C2CSC(c3c4ccc(=[N+]5CCCCC5)cc-4oc4cc(N5CCCCC5)ccc34)SC2)cc1,CO,584.5804989
4057,CCCCCCN1c2ccc(-c3sc(C=C(C#N)C(=O)O)c4c3OCCO4)cc2Sc2cc(-c3sc(-n4c5ccccc5c5ccccc54)c4c3OCCO4)ccc21,ClCCl,498.0
11270,Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(/C=C/c5cc6sc(/C=C(\C#N)C(=O)O)cc6s5)cc4)c4ccc(C)cc4C)cc3)cc2)c(C)c1,C1CCOC1,487.0
5836,CCCOC1Cc2cc(/C=N/N(c3ccccc3)c3ccc(C=C(C#N)C(=O)O)cc3)ccc2N(c2ccccc2)C1,C1CCOC1,425.0
10134,C[N+]1=C(/C=C/c2ccc(N(CCC(=O)O)CCC(=O)O)cc2)C(C)(C)C2=C1C=CC1C=CC=CC21,CCO,578.0
6270,CCN(CCC(=O)O)c1ccc(/C=C/C2=[N+](C)C3=C(C4C=CC=CC4C=C3)C2(C)C)cc1,CCO,577.0
957,CC(C)(C)c1cc(CN2C(=O)/C(=c3\s/c(=C/c4ccc(-c5ccc6c(c5)C5CCCC5N6c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)s4)c(=O)n3CC(=O)O)SC2=S)cc(C(C)(C)C)c1,ClC(Cl)Cl,568.0
3576,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5sc6c7sc8cc(/C=C(\C#N)C(=O)O)sc8c7c7cc(OCC(CC)CCCC)c(OCC(CC)CCCC)cc7c6c5s4)c4nsnc34)cc2)cc1,C1CCOC1,531.0
14982,c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1,C1CCOC1,299.0
14982,c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1,C1COCCO1,310.0
10883,Cc1cc2oc3ccccc3c2c2[nH]c3ccccc3c12,ClCCl,337.0
630,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(OC(C)=O)cc3Oc3cc(OC(C)=O)c(Cl)cc32)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,O,506.5
3461,CCCCCCCCOc1c(/C=C/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc(-c2cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s2)cc1/C=C/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,410.0
3103,CCCCCCCCCCCCCCCc1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc2c1sc1c3sc(-c4ccc(C=C(C#N)C(=O)O)s4)c(CCCCCCCCCCCCCCC)c3sc21,Clc1ccccc1Cl,490.0
1530,CC(Cc1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc2c1sc1c3sc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c(CC(C)CC(C)(C)C)c3sc21)CC(C)(C)C,Clc1ccccc1Cl,485.0
8660,COc1cc(-c2ncc(-c3ccncc3)o2)cc(OC)c1OC,ClCCl,326.0
3676,CCCCCCCCOc1nc(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)s2)cc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c1C#N,ClCCl,440.0
1489,CC(C)c1cccc(C(C)C)c1-n1c(=O)c2cc3nc(-c4ccccc4)c4cc5c(=O)n(-c6c(C(C)C)cccc6C(C)C)c(=O)c6cc7c(-c8ccccc8)nc8cc(c1=O)c2c1c3c4c(c56)c7c81,ClC(Cl)Cl,480.0
6204,CCN(CC)c1ccc2cc(-c3nc4ccccc4n3-c3ccccc3)c(=O)oc2c1,ClCCl,410.0
11342,Cc1ccc(N2c3ccc(/C=C/c4ccc(Nc5ncc(/C=C(\C#N)C(=O)O)cn5)c5nn(C)nc45)cc3C3CCCC32)cc1,Cc1ccccc1,453.0
15396,c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2ccccc12,Cc1ccccc1,456.0
2664,CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc3C43OCCO3)cc2)cc1,CN(C)C=O,488.0
14768,[NH2+]=c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3c(cc4n3CCCCCC=C4)oc-2c1,O,530.0
5868,CCCc1c(/C=C(\C#N)C(=O)O)sc2cc(-c3ccc4c(c3)[C@@H]3CCC[C@@H]3N4c3ccc4c(c3)C(CCC)(CCC)c3c5c(c6c(c3-4)C(CCC)(CCC)c3ccccc3-6)C(CCC)(CCC)c3ccccc3-5)sc12,ClCCl,500.0
5865,CCCc1c(/C=C(\C#N)C(=O)O)sc2cc(-c3ccc4c(c3)C3CCCC3N4c3ccc4c(c3)C(CCC)(CCC)c3c5c(c6c(c3-4)C(CCC)(CCC)c3ccccc3-6)C(CCC)(CCC)c3ccccc3-5)sc12,ClCCl,500.0
13729,O=C(O)c1ccc(/C=C/c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1,C1CCOC1,385.0
12524,N#C/C(=C\c1ccc(/C=C/c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1)C(=O)O,C1CCOC1,433.0
15042,c1ccc(-c2nc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc(-c3ccccn3)n2)cc1,Cc1ccccc1,371.3286713
1418,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c4ccccc4c(=O)c4ccccc4c3nc12)(C(C)C)C(C)C,ClCCl,509.0
15294,c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1,ClCCl,354.0
1189,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(=O)c2ccccc2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1,Cc1ccccc1,391.0
13043,N#Cc1cc(C#Cc2c(F)c(F)nc(F)c2F)c(C#Cc2c(F)c(F)nc(F)c2F)cc1C#N,CC#N,315.0
12249,Fc1nc(F)c(F)c(C#Cc2ccccc2C#Cc2c(F)c(F)nc(F)c2F)c1F,CC#N,300.0
7192,CCn1c2ccccc2c2cc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)ccc21,C1CCCCC1,457.0
7192,CCn1c2ccccc2c2cc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)ccc21,C1CCOC1,496.0
7192,CCn1c2ccccc2c2cc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)ccc21,CC(C)=O,496.0
7192,CCn1c2ccccc2c2cc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)ccc21,CS(C)=O,512.0
7192,CCn1c2ccccc2c2cc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)ccc21,Cc1ccccc1,498.0
7192,CCn1c2ccccc2c2cc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)ccc21,ClC(Cl)Cl,514.0
7192,CCn1c2ccccc2c2cc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)ccc21,ClCCl,510.0
14042,O=C1c2ccc3c4c(NC5CCCCC5)cc5c6c(ccc(c7c(NC8CCCCC8)cc(c2c37)C(=O)N1C1CCCCC1)c64)C(=O)N(C1CCCCC1)C5=O,ClC(Cl)Cl,703.0
4684,CCCCCCc1c(-c2ccc(OC)cc2)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)n2ccccc12,ClCCl,239.0
4685,CCCCCCc1c(-c2ccccc2)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)n2ccccc12,ClCCl,558.0
10278,Cc1c(-c2ccccc2)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)n2ccccc12,ClCCl,557.0
5186,CCCCCc1c(-c2ccccc2)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)n2ccc(OC)cc12,ClCCl,675.0
3580,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1,ClCCl,509.0
7074,CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1,CN(C)C=O,471.0
9135,COc1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c3nc2-c2ccc(OC)cc2)cc1,ClCCl,469.0
4482,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1,CN(C)C=O,477.0
12424,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1)C(=O)O,CN(C)C=O,460.0
3536,CCCCCCCCOc1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c3nc2-c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,470.0
898,CC(C)(C)c1cc(-c2ccc(-c3cccs3)s2)c2c(c1)c1cc(C(C)(C)C)cc(-c3ccc(-c4cccs4)s3)c1n2-c1ccc(-c2cccs2)s1,ClCCl,340.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,ClC(Cl)Cl,480.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,ClCCl,479.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,C1CCOC1,476.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,CC#N,474.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,CCO,480.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,CN(C)C=O,484.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,ClC(Cl)Cl,485.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,ClCCl,478.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,CCOC(C)=O,462.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,C1CCOC1,475.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,CS(C)=O,489.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,Cc1ccccc1,468.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,CCO,479.0
8844,COc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2C,CC#N,477.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,CCOC(C)=O,469.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,CN(C)C=O,487.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,CS(C)=O,491.0
6892,CCOc1cc2c(cc1/C=C/C1=CC(=C(C#N)C#N)CC(C)(C)C1)c1ccccc1n2CC,Cc1ccccc1,474.0
3758,CCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc4c(cc3-c3cc5c(cc32)-c2cc3c(cc2C5(c2ccc(CCCCCCCC)cc2)c2ccc(CCCCCCCC)cc2)-c2ccc(N5c6ccccc6Sc6ccccc65)cc2C3(CCCCCCCC)CCCCCCCC)Cc2cc(/C=C(\C#N)C(=O)O)ccc2-4)cc1,ClCCl,442.0
10581,Cc1cc(/C=C/c2ccccc2-c2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
14872,c1cc2cc(c1)c1ccc3ccc4ccc(cc4c3c1)c1ccc3ccc4ccc(cc4c3c1)c1cccc2c1,Cc1ccccc1,355.0
6137,CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](C(=O)O)C2,CC#N,445.0
13957,O=C1NC(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)S1,C1CCOC1,433.0
13609,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccc(/C=C4\SC(=S)N(CC(=O)O)C4=O)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2)SC1=S,CN(C)C=O,476.0
1466,CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)ccc32)c(C(C)C)c1,Cc1ccccc1,458.0
13817,O=C([O-])c1ccccc1C1=c2cc3c(cc2Oc2cc4c(cc21)CCCN4)=[NH+]CCC3,O,538.0
4047,CCCCCCN1c2ccc(-c3ccc(OC[C@@H](CC)CCCC)cc3)cc2Sc2cc(-c3ccc(-c4cc5[nH]c6cc([C@H](C#N)C(=O)O)sc6c5s4)c4nc(-c5ccc(OC[C@@H](CC)CCCC)cc5)c(-c5ccc(OC[C@@H](CC)CCCC)cc5)nc34)ccc21,ClCCl,521.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,C1CCCCC1,305.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,C1COCCO1,303.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,CC#N,298.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,CCO,297.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,CCOC(C)=O,301.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,CO,298.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,CS(C)=O,302.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,Cc1ccccc1,306.0
14100,O=CN1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1,ClC(Cl)(Cl)Cl,306.0
4882,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(C=C2c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)s1,ClCCl,422.0
3602,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OCCCCCCCC)cc4)c4ccc(OCCCCCCCC)cc4)ccc2C3=Cc2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)s2)cc1,ClCCl,516.0
9607,COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C3=Cc2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)s2)cc1,ClCCl,513.0
4881,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(C=C2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3-c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)s1,ClCCl,416.0
3603,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OCCCCCCCC)cc4)c4ccc(OCCCCCCCC)cc4)ccc2C3=Cc2ccc(-c3sc(C=C(C#N)C(=O)O)cc3CCCCCC)s2)cc1,ClCCl,428.0
5161,CCCCCN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21,CCO,520.0
6324,CCN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21,CCO,520.0
3279,CCCCCCCCCCN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21,CCO,520.0
6351,CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC(=O)O)SC1=S,CCO,520.0
3080,CCCCCCCCCCCCCCCCCCN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21,CCO,520.0
8484,COCCC1=Cc2nc1ccc1[nH]c(c3nc(ccc4[nH]c2cc4CCOC)C(CCOC)=C3)c2c(C(=O)OC)c(C(=O)O)ccc12,Cc1ccccc1,636.0
2152,CC1=[N+]2C(=C(c3ccc4c(c3)Cc3ccccc3-4)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,597.5
2152,CC1=[N+]2C(=C(c3ccc4c(c3)Cc3ccccc3-4)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,598.5
221,C(=C/c1ccc(-c2cccc3ccccc23)s1)\c1cccs1,ClCCl,370.0
11245,Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(/C=C/c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)s3)cc2)cc1,CN(C)C=O,486.0
5447,CCCCOC(=O)c1cc(Cl)c2c3c(Cl)cc4c5c(cc(Cl)c(c6c(Cl)cc(C(=O)OCCCC)c1c26)c53)C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O,Cc1ccccc1,496.0
1081,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3ccc4c5cccc6c(NCC(=O)O)ccc(c7ccc(c3c47)C2=O)c65)c1,ClCCl,506.0
12461,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)cc2)o1)C(=O)O,ClCCl,454.0
3807,CCCCCCCCn1c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2c2cc3c(cc21)c1ccc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc1n3CCCCCCCC,Cc1ccccc1,416.0
4973,CCCCCCc1csc(-c2ccc(-c3cc(CCCCCC)c(/C=C/c4cc(-c5cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s5)cc(/C=C/c5sc(-c6ccc(-c7cc(CCCCCC)cs7)c7nsnc67)cc5CCCCCC)c4OCC(CC)CCCC)s3)c3nsnc23)c1,ClC(Cl)Cl,492.0
6136,CCN(CC)c1ccc2c(c1)OC(=C1C=CC(=[N+](CC)CC)C=C1)C=C2c1ccccc1C(=O)O,O,598.0
5450,CCCCOC(=O)c1cc(Oc2ccc(C(C)(C)C)cc2)c2c3c(Cl)cc4c5c(cc(Cl)c(c6c(Oc7ccc(C(C)(C)C)cc7)cc(C(=O)OCCCC)c1c26)c53)C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O,Cc1ccccc1,529.0
5451,CCCCOC(=O)c1cc(Oc2ccc(OC)cc2)c2c3c(Cl)cc4c5c(cc(Cl)c(c6c(Oc7ccc(OC)cc7)cc(C(=O)OCCCC)c1c26)c53)C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O,Cc1ccccc1,531.0
14958,c1ccc(-c2cc3c(ccc4c5cc(-c6ccccc6)oc5ccc34)o2)cc1,ClCCl,379.0
3877,CCCCCCCCn1nc2c(-c3ccc(C(=O)O)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N5c6ccccc6C6C7CCC(C7)C65)cc4)s3)c2n1,ClCCl,589.0
3863,CCCCCCCCn1nc2c(-c3ccc(/C=C(/C#N)C(=O)O)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N5c6ccccc6C6C7CCC(C7)C65)cc4)s3)c2n1,ClCCl,604.0
6845,CCOC(=O)c1sc(SC)c2c(=O)[nH]nnc12,C1CCOC1,380.5
6845,CCOC(=O)c1sc(SC)c2c(=O)[nH]nnc12,CC#N,381.0
6845,CCOC(=O)c1sc(SC)c2c(=O)[nH]nnc12,CCO,385.0
6845,CCOC(=O)c1sc(SC)c2c(=O)[nH]nnc12,CN(C)C=O,389.0
6845,CCOC(=O)c1sc(SC)c2c(=O)[nH]nnc12,CO,384.5
6845,CCOC(=O)c1sc(SC)c2c(=O)[nH]nnc12,CS(C)=O,387.5
6846,CCOC(=O)c1sc(SC)c2c(=O)n(C)nnc12,C1CCOC1,387.5
6846,CCOC(=O)c1sc(SC)c2c(=O)n(C)nnc12,CC#N,388.0
6846,CCOC(=O)c1sc(SC)c2c(=O)n(C)nnc12,CCO,391.0
6846,CCOC(=O)c1sc(SC)c2c(=O)n(C)nnc12,CN(C)C=O,391.5
6846,CCOC(=O)c1sc(SC)c2c(=O)n(C)nnc12,CO,391.5
6846,CCOC(=O)c1sc(SC)c2c(=O)n(C)nnc12,CS(C)=O,393.5
10075,CSc1sc(C(C)=O)c2nn[nH]c(=O)c12,C1CCOC1,392.5
10075,CSc1sc(C(C)=O)c2nn[nH]c(=O)c12,CC#N,393.0
10075,CSc1sc(C(C)=O)c2nn[nH]c(=O)c12,CCO,397.0
10075,CSc1sc(C(C)=O)c2nn[nH]c(=O)c12,CN(C)C=O,404.0
10075,CSc1sc(C(C)=O)c2nn[nH]c(=O)c12,CO,396.0
10075,CSc1sc(C(C)=O)c2nn[nH]c(=O)c12,CS(C)=O,400.5
10076,CSc1sc(C(N)=O)c2nnn(C)c(=O)c12,C1CCOC1,393.0
10076,CSc1sc(C(N)=O)c2nnn(C)c(=O)c12,CC#N,394.5
10076,CSc1sc(C(N)=O)c2nnn(C)c(=O)c12,CCO,397.0
10076,CSc1sc(C(N)=O)c2nnn(C)c(=O)c12,CN(C)C=O,396.5
10076,CSc1sc(C(N)=O)c2nnn(C)c(=O)c12,CO,397.0
10076,CSc1sc(C(N)=O)c2nnn(C)c(=O)c12,CS(C)=O,398.5
11293,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5nccnc45)cc3C3CCCC32)cc1,ClCCl,442.0
11294,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5nccnc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,442.0
11311,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)cc5)c5nccnc45)cc3C3CCCC32)cc1,ClCCl,442.0
8952,COc1ccc(-c2c3ccccc3c(C#Cc3ccccc3)c3ccccc23)cc1,ClCCl,411.0
14052,O=C1c2cccc3cc(C#CC#Cc4cc5c6c(cccc6c4)C(=O)N(c4ccccc4)C5=O)cc(c23)C(=O)N1c1ccccc1,ClCCl,326.0
6635,CCOC(=O)CSc1nc2c(c(C#N)c1C#N)CCCCCC2,c1ccccc1,360.0
12922,N#Cc1c(-c2cccc3ccccc23)c(N)n2ccccc12,CN(C)C=O,397.0
6323,CCN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)C(C)(C)c2ccccc21,CCO,490.0
14979,c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1,C1COCCO1,288.0
13055,N#Cc1cc(N2c3ccccc3Oc3ccccc32)cc(N2c3ccccc3Oc3ccccc32)c1,Cc1ccccc1,340.0
3056,CCCCCCCCCCC1(CCCCCCCCCC)c2cc(-c3nc4ccccc4s3)ccc2-c2ccc(N3C(=O)c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)C3=O)c86)C(=O)N(c3ccc4c(c3)C(CCCCCCCCCC)(CCCCCCCCCC)c3cc(-c5nc6ccccc6s5)ccc3-4)C7=O)cc21,ClCCl,528.0
12377,N#C/C(=C\c1ccc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc1)C(=O)O,ClCCl,376.0
13801,O=C([O-])c1cc(N2C(=O)C=CC2=O)ccc1-c1c2cc(F)c(=O)cc-2oc2cc([O-])c(F)cc12,O,493.0
13677,O=C(O)c1cc(N2C(=O)C=CC2=O)ccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12,CO,524.0
5142,CCCCCCn1cc(/C=C(/C#N)c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)s2)c2cc(OC)ccc21,ClC(Cl)Cl,517.0
5143,CCCCCCn1cc(/C=C(/C#N)c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)s2)c2cc([N+](=O)[O-])ccc21,ClC(Cl)Cl,497.0
5144,CCCCCCn1cc(/C=C(/C#N)c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)s2)c2ccccc21,ClC(Cl)Cl,511.0
1245,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)ccc3-4)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,373.0
5613,CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C=C(C#N)C(=O)O)cc4)ccc2-3)cc1,ClCCl,418.0
14870,c1cc2cc(-c3ccncc3)c3cccc4cc(-c5ccncc5)c(c1)c2c43,Cc1ccccc1,346.0
1365,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4nc5cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)c(-c6ccc(/C=C(\C#N)C(=O)O)s6)cc5nc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,C1CCOC1,488.0
1366,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4nc5cc(-c6ccc(C(=O)O)s6)c(-c6ccc(C(=O)O)s6)cc5nc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,C1CCOC1,484.0
3771,CCCCCCCCc1ccsc1-c1cc(CCCCCCCC)c(-c2cc(CCCCCCCC)c(-c3ccc(-c4sc(-c5sc(-c6sc(C=C(C#N)C(=O)O)cc6CCCCCCCC)cc5CCCCCCCC)cc4CCCCCCCC)s3)s2)s1,ClCCl,457.0
3773,CCCCCCCCc1ccsc1-c1ccc(-c2sc(-c3ccc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(C=C(C#N)C(=O)O)cc6CCCCCCCC)s5)s4)s3)cc2CCCCCCCC)s1,ClCCl,453.0
5110,CCCCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3nc5cc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)ccc5nc3n4CC)ccc21,CN(C)C=O,405.0
1838,CC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccc(/C=C6\C(=O)c7ccc(C(=O)O)cc7C6=O)s5)cc4C4CCCC43)cc21,ClC(Cl)Cl,608.0
1839,CC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccc(C=C6C(=O)c7ccc(C(=O)O)cc7C6=O)s5)cc4C4CCCC43)cc21,ClC(Cl)Cl,610.0
4792,CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1C=C1C(=O)c2ccc(C(=O)O)cc2C1=O,ClC(Cl)Cl,610.0
4787,CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1/C=C1\C(=O)c2ccc(C(=O)O)cc2C1=O,ClC(Cl)Cl,611.0
2920,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc4c(cc3F)-c3cc(F)c(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)cc3S4(=O)=O)cc21,ClC(Cl)Cl,362.0
2920,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc4c(cc3F)-c3cc(F)c(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)cc3S4(=O)=O)cc21,Cc1ccccc1,360.0
2923,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21,Cc1ccccc1,366.0
2923,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21,ClC(Cl)Cl,367.0
13515,O=C(O)/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nnn[nH]1,ClCCl,384.0
12795,N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nnn[nH]1,ClCCl,434.0
6504,CCOC(=O)/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nnn[nH]1,ClCCl,422.0
3229,CCCCCCCCCCCC[C@@H](CCCCCCCCCC)CN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(N3CCCC3)ccc21,ClCCl,536.0
13750,O=C(O)c1ccc(N=CC=C(Cl)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1O,CN(C)C=O,416.0
7223,CCn1c2ccccc2c2cc(N3C(=O)c4cccc5c(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc(c45)C3=O)ccc21,ClCCl,397.0
3613,CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1ccc(-n2c3cc(C=C(C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)cc32)cc1,C1CCOC1,511.0
8201,COC(=O)CC1(C(=O)O)Oc2c(c(C(C)=O)c3c(c2C(C)=O)OCO3)O1,CC#N,434.0
8202,COC(=O)CC1(C(=O)OC)Oc2c(c(C(C)=O)c3c(c2C(C)=O)OCO3)O1,CC#N,423.0
660,CC(=O)c1c2c(c(C(C)=O)c3c1OC(CC(=O)O)O3)OCO2,CC#N,433.0
2492,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)O)O3)OCO2,CCO,445.0
2492,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)O)O3)OCO2,CO,442.0
2492,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)O)O3)OCO2,ClCCl,423.0
2492,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)O)O3)OCO2,CC#N,424.0
2492,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)O)O3)OCO2,O,448.0
2493,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,CC#N,423.0
2493,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,CCCCCC,413.0
2493,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,CCO,428.0
2493,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,CO,428.0
2493,CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,ClCCl,425.0
12716,N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1)C(=O)O,ClCCl,500.0
12716,N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1)C(=O)O,C1CCOC1,497.0
4540,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ncc(-c4ccc(C=C(C#N)C(=O)O)cc4)c4nsnc34)cc2)cc1,C1CCOC1,525.0
4141,CCCCCCN1c2ccccc2Sc2cc(/C=C\c3cc(-c4ccc(/C=C(/C#N)C(=O)O)s4)c(-c4ccc(C=C(C#N)C(=O)O)s4)cc3/C=C/c3ccc4c(c3)Sc3ccccc3N4CCCCCC)ccc21,CCO,395.0
12763,N#CC(=Cc1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)o1)C(=O)O,ClC(Cl)Cl,568.0
12599,N#C/C(=C\c1ccc2ccccc2c1-c1cccc2c1C(=O)/C(=C1/Nc3ccccc3C1=O)N2)C(=O)O,C1CCOC1,572.0
12600,N#C/C(=C\c1ccc2ccccc2c1-c1cccc2c1C(=O)/C(=C1\Nc3ccccc3C1=O)N2)C(=O)O,C1CCOC1,572.0
13520,O=C(O)/C=C/c1ccc2ccccc2c1-c1cccc2c1C(=O)/C(=C1/Nc3ccccc3C1=O)N2,C1CCOC1,549.0
13521,O=C(O)/C=C/c1ccc2ccccc2c1-c1cccc2c1C(=O)/C(=C1\Nc3ccccc3C1=O)N2,C1CCOC1,549.0
9950,COc1ccccc1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,CCO,564.0
9950,COc1ccccc1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,566.0
9914,COc1cccc(OC)c1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,565.0
13815,O=C([O-])c1ccccc1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,O,560.0
12253,Ic1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,CCO,568.0
12253,Ic1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,ClCCl,570.0
11570,Cc1ccccc1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,CCO,564.0
11570,Cc1ccccc1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,565.0
14680,Oc1cccc(O)c1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,CCO,557.0
14930,c1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,CCO,564.0
14930,c1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,ClCCl,565.0
8933,COc1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,CCO,561.0
8933,COc1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,ClCCl,562.0
13656,O=C(O)COc1cccc(OCC(=O)O)c1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,CCO,557.0
13656,O=C(O)COc1cccc(OCC(=O)O)c1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,O,567.0
406,C1=C2B(Nc3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc31)c1cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,402.0
12786,N#CC(=Cc1ccc(N(c2ccccc2)c2ccc(C3=NC(c4ccc(-c5cccs5)cc4)C(c4ccc(-c5cccs5)cc4)N3)cc2)cc1)C(=O)O,CCO,411.0
3886,CCCCCCCCn1nc2c(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)ccc(-c3cc4c(s3)C(C)(C)c3cc(/C=C(\C#N)C(=O)O)sc3-4)c2n1,ClCCl,514.0
3887,CCCCCCCCn1nc2c(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)ccc(-c3cc4c(s3)C(CCCCCCCC)(CCCCCCCC)c3cc(/C=C(\C#N)C(=O)O)sc3-4)c2n1,ClCCl,514.0
1989,CC1=CC(/C=C/c2ccc(OCCN3CCCCC3)cc2)=[N+]2C1=C(c1ccc(OCCN3CCCCC3)cc1)c1c(C)cc(/C=C/c3ccc(OCCN4CCCCC4)cc3)n1[B-]2(F)F,CCO,639.0
1524,CC(CO)N1Cc2c(-c3ccccc3)c3cc(-c4ccccc4)ccn3c2C1=O,ClCCl,350.0
1521,CC(CO)N1Cc2c(-c3ccc(N(C)C)cc3)c3cc(-c4ccccc4)ccn3c2C1=O,ClCCl,403.0
9945,COc1ccccc1-c1c2c(n3ccc(-c4ccccc4)cc13)C(=O)N(C(C)CO)C2,ClCCl,381.0
1964,CC1=C2C3=C(CCc4ccccc43)C(C)=[N+]2[B-](F)(F)n2c(C)c3c(c21)-c1ccccc1CC3,CC#N,559.0
9374,COc1ccc(C(=O)COc2c(C)c(=O)n3c(=O)c(C)c(COC(=O)c4ccccc4Cl)n23)cc1,CCO,382.0
10339,Cc1c(COC(=O)c2ccc(I)cc2)n2c(OCC(=O)c3ccc(I)cc3)c(C)c(=O)n2c1=O,CCO,387.0
10340,Cc1c(COC(=O)c2ccccc2)n2c(OCC(=O)c3ccccc3)c(C)c(=O)n2c1=O,CCO,381.0
10341,Cc1c(COC(=O)c2ccccc2Br)n2c(OCC(=O)c3ccccc3Br)c(C)c(=O)n2c1=O,CCO,382.0
10342,Cc1c(COC(=O)c2ccccc2Cl)n2c(OCC(=O)c3ccccc3Cl)c(C)c(=O)n2c1=O,CCO,381.0
8377,COC(=O)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]cn4)cc(C)c32)cc1,ClC(Cl)Cl,572.0
12121,F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2cccs2)=C2C=CC=[N+]21,ClCCl,496.0
1903,CC1(C)c2ccccc2N(c2ccc3c(ccc4nc5ccc6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc6c5nc43)c2)c2ccccc21,C1CCCCC1,413.0
1903,CC1(C)c2ccccc2N(c2ccc3c(ccc4nc5ccc6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc6c5nc43)c2)c2ccccc21,C1CCOC1,416.0
1903,CC1(C)c2ccccc2N(c2ccc3c(ccc4nc5ccc6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc6c5nc43)c2)c2ccccc21,CN(C)C=O,418.0
1903,CC1(C)c2ccccc2N(c2ccc3c(ccc4nc5ccc6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc6c5nc43)c2)c2ccccc21,Cc1ccccc1,416.0
1903,CC1(C)c2ccccc2N(c2ccc3c(ccc4nc5ccc6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc6c5nc43)c2)c2ccccc21,ClCCl,416.0
3452,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,C1CCOC1,534.0
3452,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,CCOC(C)=O,524.0
3452,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,CN(C)C=O,528.0
3452,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,Cc1ccccc1,533.0
3452,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,ClC(Cl)Cl,534.0
3452,CCCCCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)Sc5ccccc5N6CCCCCCCC)cc4)c4ccc(/C=C/c5ccc(/C=C/c6ccc(N(c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)c7ccc(/C=C/c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,ClCCl,533.0
15147,c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccccc6c4-5)cc3)nc3ccccc32)cc1,ClC(Cl)Cl,359.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,C1CCOC1,438.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CC#N,432.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CC(=O)O,544.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CN(C)C=O,452.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CO,443.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CS(C)=O,459.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,Cc1ccccc1,429.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,ClC(Cl)Cl,427.0
692,CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,ClCCl,432.0
6341,CCN1C(=C/C(C)=c2\s/c(=C3\SC(=S)N(CC(=O)O)C3=O)n(CC(=O)O)c2=O)Sc2ccccc21,CCO,500.0
13634,O=C(O)CN1C(=O)/C(=c2/s/c(=C\C=C3Sc4ccccc4N3CCCS(=O)(=O)O)c(=O)n2CC(=O)O)SC1=S,CCO,500.0
1321,CC(C)/C(C=C1Sc2ccccc2N1C)=c1/s/c(=C2\SC(=S)N(CC(=O)O)C2=O)n(CC(=O)O)c1=O,CCO,580.0
4944,CCCCCCc1ccc(/C=C/C2=[N+]3C(C(C)=C2)C(c2ccc(C(=O)O)cc2)c2c(C)cc(C)n2[B-]3(C#CCOCCOC)C#CCOCCOC)s1,CCO,581.0
12062,F[B-]1(F)n2c(-c3ccccc3)cc(-c3ccccc3)c2C=C2C(c3ccccc3)=CC(c3ccccc3)=[N+]21,C1CCOC1,571.0
13914,O=C1C=CC(=O)N1c1ccc2ccc3cccc4ccc1c2c34,CO,338.0
13793,O=C(ON1C(=O)CCC1=O)c1cc(Cl)c(C(=O)O)c(-c2c3cc(Cl)c(=O)c(Cl)c-3oc3c(Cl)c(O)c(Cl)cc23)c1Cl,O,533.0
13794,O=C(ON1C(=O)CCC1=O)c1cc(Cl)c(C(=O)O)c(-c2c3cc(Cl)c(=O)cc-3oc3cc(O)c(Cl)cc23)c1Cl,O,521.0
4441,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc(-c5nc6cccc(-c7ccc(-c8ccc(N(c9ccc(OCCCCCC)cc9)c9ccc(OCCCCCC)cc9)cc8)s7)c6nc5-c5ccc(/C=C(\C#N)C(=O)O)s5)cs4)s3)cc2)cc1,Cc1ccccc1,542.0
13843,O=C(c1ccc2c3c(cccc13)-c1cccc3c1C2CC=C3)c1c(Cc2ccccc2)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,467.0
1633,CC1(C)CC(/C=C/c2cc3cc4c5c(c3oc2=O)C(C)(C)CCN5CCC4(C)C)=C/C(=C(/C#N)C(=O)O)C1,CCO,492.0
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,C1COCCO1,386.5003169
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CC#N,385.000385
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CC(C)=O,384.8003848
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CC(C)CC(C)(C)C,382.4998661
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CC(C)O,384.5000346
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CC(O)CO,386.7005932
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CC1CCCCC1,383.5002838
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CC1COC(=O)O1,386.9998994
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CCCCCC,382.6506209
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CCCCCO,385.5005532
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CCCCO,385.3742755
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CCO,384.7500471
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CCOC(C)=O,384.5000346
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CN(C)C=O,387.4992734
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CNC=O,386.5003169
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CO,383.9995085
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,CS(C)=O,389.0006185
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,ClC(Cl)(Cl)Cl,386.3748764
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,ClC(Cl)Cl,386.9744403
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,ClCCl,386.5242196
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,N#Cc1ccccc1,389.0006185
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,NC=O,388.5003885
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,O,386.0005327
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,OC(C(F)(F)F)C(F)(F)F,385.0997216
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,OCC(F)(F)F,382.4998661
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,C1CCCCC1,383.5002838
8148,COC(=O)C(Cc1ccc2oc(-c3c4ccccc4cc4ccccc34)nc2c1)NC(=O)OC(C)(C)C,C1CCOC1,385.5005532
12646,N#CC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)s1)C(=O)O,ClCCl,401.0
10314,Cc1c(C)c(-c2ccc(-c3cccnc3)cc2)c(C)c(C)c1B(c1c(C)c(C)c(-c2ccc(-c3cccnc3)cc2)c(C)c1C)c1c(C)c(C)c(-c2ccc(-c3cccnc3)cc2)c(C)c1C,ClCCl,331.0
8802,COc1cc(OC)cc(C2=[O+][B-](F)(F)OC(c3cccs3)=C2)c1,ClCCl,391.0
1228,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)nc2)cn1,Cc1ccccc1,383.9662447
1228,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)nc2)cn1,ClCCl,382.7176781
1228,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)nc2)cn1,C1CCOC1,377.3087071
4657,CCCCCCSC1=C(SCCCCCC)SC(C2c3ccccc3C(C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)s4)ccc32)S1,CN(C)C=O,440.0
11684,Cc1nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2nc1-c1ccccc1,CC#N,400.0
11684,Cc1nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2nc1-c1ccccc1,ClCCl,408.0
11684,Cc1nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2nc1-c1ccccc1,C1COCCO1,403.0
11150,Cc1ccc(C2=C3C=CC([Te]c4ccccc4)=[N+]3[B-](F)(F)n3c([Te]c4ccccc4)ccc32)cc1,C1CCOC1,620.0
3521,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCCCC)cc4)cc3)c3ccc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)cc3)cc2)cc1,C1CCOC1,456.0
6197,CCN(CC)c1ccc2cc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccc(C(C)(C)C)cc3)c(=O)oc2c1,ClCCl,410.0
14896,c1cc2ccc3ccc(OP4(Oc5ccc6ccc7cccc8ccc5c6c78)=NP(Oc5ccc6ccc7cccc8ccc5c6c78)(Oc5ccc6ccc7cccc8ccc5c6c78)=NP(Oc5ccc6ccc7cccc8ccc5c6c78)(Oc5ccc6ccc7cccc8ccc5c6c78)=N4)c4ccc(c1)c2c34,ClCCl,343.0
3417,CCCCCCCCN1c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,432.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,Cc1ccccc1,333.5
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,ClC(Cl)Cl,329.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,ClCCl,326.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,O,322.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,OCCO,330.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,C1CCCCC1,328.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,C1CCOC1,328.5
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,C1COCCO1,328.5
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CC#N,319.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CC(C)(C)O,329.5
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CC(C)O,328.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CCO,325.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CCOC(C)=O,319.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CN(C)C=O,326.5
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CNC=O,325.5
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CO,322.5
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,CS(C)=O,329.0
12196,Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1,Cc1ccc(C)cc1,332.0
11566,Cc1cccc2nc3c(=O)n(C)c(=O)nc-3n(C)c12,CC#N,439.0
10879,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C,CC#N,443.0
11459,Cc1ccc2c(nc3c(=O)n(C)c(=O)nc-3n2C)c1C,CC#N,448.0
10881,Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1C,CC#N,444.0
11555,Cc1cccc2c1nc1c(=O)n(C)c(=O)nc-1n2C,CC#N,440.0
11894,Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21,CC1CCCO1,459.0
11491,Cc1ccc2nc3c(=O)n(C)c(=O)nc-3n(C)c2c1,CC#N,435.0
11853,Cn1c(=O)nc2n(C)c3ccccc3nc-2c1=O,CC#N,437.0
7122,CCn1c(=O)nc2n(C)c3cc(C)ccc3nc-2c1=O,CO,446.0
7122,CCn1c(=O)nc2n(C)c3cc(C)ccc3nc-2c1=O,C1COCCO1,443.0
7122,CCn1c(=O)nc2n(C)c3cc(C)ccc3nc-2c1=O,CC#N,445.0
7122,CCn1c(=O)nc2n(C)c3cc(C)ccc3nc-2c1=O,ClCCCl,448.0
11853,Cn1c(=O)nc2n(C)c3ccccc3nc-2c1=O,CC1CCCO1,460.0
10760,Cc1cc(C)c2c(c1)nc1c(=O)n(C)c(=O)nc-1n2C,CC#N,448.0
11457,Cc1ccc2c(c1)nc1c(=O)n(C)c(=O)nc-1n2C,CC#N,446.0
10765,Cc1cc(C)c2nc3c(=O)n(C)c(=O)nc-3n(C)c2c1,CC#N,446.0
2896,CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)cc3)sc2-c2sc(-c3ccc(/C=C(\C#N)C(=O)O)c(F)c3)cc21,ClCCl,534.0
9596,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4s3)cc2)cc1,ClCCl,460.0
10849,Cc1cc2c3ccccc3oc2c2[nH]c3ccccc3c12,ClCCl,314.0
4772,CCCCCCc1cc(-c2ccc3[n+](c2)[B-](F)(F)N2C=CC=CC2=C3C#N)sc1-c1ccc2c(c1)Sc1cc(/C=C(/C#N)C(=O)O)ccc1N2CCCCCC,C1CCOC1,475.0
4800,CCCCCCc1cc(-c2ccc3c(c2)Sc2cc(/C=C(/C#N)C(=O)O)ccc2N3CCCCCC)sc1-c1ccc2[n+](c1)[B-](F)(F)N1C=CC=CC1=C2C#N,C1CCOC1,465.0
4060,CCCCCCN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(-c3ccc(-c4ccc5[n+](c4)[B-](F)(F)N4C=CC=CC4=C5C#N)s3)ccc21,C1CCOC1,481.0
12481,N#C/C(=C\c1ccc(-c2ccc(N3c4ccccc4C=Cc4ccccc43)cc2)s1)C(=O)O,ClCCl,470.0
12700,N#CC(=Cc1ccc(-c2ccc(N3c4ccccc4C=Cc4ccccc43)cc2)s1)C(=O)O,ClCCl,470.0
14241,O=S(=O)(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1,ClCCl,290.0
5845,CCCOc1cc2c(C(C)(C)C)c(c1)Cc1cc(OCCCCC(=O)OCc3cc(/C=C(\C#N)C(=O)O)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)Cc1cc(OCCC)cc(c1C(C)(C)C)Cc1cc(OCCCCC(=O)OCc3cc(C=C(C#N)C(=O)O)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)C2,C1CCOC1,425.0
5845,CCCOc1cc2c(C(C)(C)C)c(c1)Cc1cc(OCCCCC(=O)OCc3cc(/C=C(\C#N)C(=O)O)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)Cc1cc(OCCC)cc(c1C(C)(C)C)Cc1cc(OCCCCC(=O)OCc3cc(C=C(C#N)C(=O)O)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)C2,ClCCl,451.0
1032,CC(C)(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1,C1CCOC1,354.4573643
1033,CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(C#N)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(C#N)c3)n2)cc1,C1CCOC1,397.4806202
1034,CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(C#N)c3)n2)cc1,C1CCOC1,379.4573643
11758,Clc1ccc(-c2nnc3ccccn23)cc1,ClCCl,288.0
11952,FC(F)(F)c1cc(-c2nnc3ccccn23)cc(C(F)(F)F)c1,ClCCl,298.0
11005,Cc1ccc(-c2nnc3ccccn23)cc1,ClCCl,283.0
1050,CC(C)(C)c1ccc(-c2nnc3ccccn23)cc1,ClCCl,282.0
9963,COc1ccccc1-c1nnc2ccccn12,ClCCl,285.0
31,Brc1ccc(-c2nnc3ccccn23)cc1,ClCCl,289.0
15137,c1ccc(-c2nnc3ccccn23)cc1,ClCCl,282.0
7381,CN(C)c1ccc(-c2nnc3ccccn23)cc1,ClCCl,301.0
12198,Fc1ccc(-c2nnc3ccccn23)cc1,ClCCl,281.0
13104,N#Cc1ccc(-c2nnc3ccccn23)cc1,ClCCl,309.0
9170,COc1ccc(-c2nnc3ccccn23)cc1,ClCCl,282.0
9171,COc1ccc(-c2nnc3ccccn23)cc1OC,ClCCl,290.0
10403,Cc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,432.0
11232,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4nsnc34)cc2)cc1,Cc1ccccc1,474.0
11232,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4nsnc34)cc2)cc1,ClCCl,485.0
15257,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nsnc34)cc2)cc1,ClCCl,459.0
11871,Cn1c2ccccc2[c+](-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CC#N,428.3
11871,Cn1c2ccccc2[c+](-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CCO,426.3
11871,Cn1c2ccccc2[c+](-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CO,432.1
11871,Cn1c2ccccc2[c+](-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CS(C)=O,434.3
6587,CCOC(=O)C1c2ccccc2C(=O)N1c1ccccn1,CCCCCC,310.0
6587,CCOC(=O)C1c2ccccc2C(=O)N1c1ccccn1,CO,324.0
6587,CCOC(=O)C1c2ccccc2C(=O)N1c1ccccn1,CS(C)=O,333.0
6587,CCOC(=O)C1c2ccccc2C(=O)N1c1ccccn1,ClCCl,314.0
5617,CCCCc1ccc2c(c1)c1ccc3cccc4c3c1c1c2c2cccc3ccc5c6cc(CCCC)ccc6c4c1c5c32,ClCCl,492.0
13000,N#Cc1c(N2CCCCC2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c2c1C(=O)c1ccccc1-2,C1CCOC1,344.0
8670,COc1cc(/C=C/C2=CC(/C=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)=[O+][B-](F)(F)O2)ccc1OS(=O)(=O)c1ccc(C)cc1,ClCCl,460.1
8024,CN1CCSc2cc3c(cc21)Oc1cc2c(cc1=N3)OCC[N+]=2C,CO,659.0
4891,CCCCCCc1cc2c(s1)-c1ccccc1N1B2c2cc(CCCCCC)sc2-c2cc3c(cc21)-c1sc(CCCCCC)cc1B1c2cc(CCCCCC)sc2-c2cc4c(cc2N13)-c1sc(CCCCCC)cc1B1c2cc(CCCCCC)sc2-c2cc3c(cc2N14)-c1sc(CCCCCC)cc1B1c2cc(CCCCCC)sc2-c2ccccc2N13,C1CCOC1,420.0
5022,CCCCCCn1c2c(c3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc31)C(CC)(CC)c1ccccc1-2,ClCCl,472.0
5023,CCCCCCn1c2c(c3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,470.0
518,C=CCNc1ccc2ccc3oc4cc(=O)ccc-4nc3c2c1,CCO,531.0
518,C=CCNc1ccc2ccc3oc4cc(=O)ccc-4nc3c2c1,ClCCl,539.0
518,C=CCNc1ccc2ccc3oc4cc(=O)ccc-4nc3c2c1,O,522.0
518,C=CCNc1ccc2ccc3oc4cc(=O)ccc-4nc3c2c1,CC#N,537.0
1898,CC1(C)c2ccccc2N(c2ccc3c(c2)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)cc4c5ccccc5n3c42)c2ccccc21,C1CCOC1,367.0
5163,CCCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,494.0
5420,CCCCN1c2ccccc2Sc2cc(C=Cc3ccc(C=C(C#N)C(=O)O)s3)ccc21,ClCCl,494.0
5381,CCCCN1c2ccc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2ccc(SC)cc21,ClCCl,478.0
5410,CCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,494.0
5765,CCCCn1c2ccccc2c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc21,ClCCl,402.0
5287,CCCCN(CCCC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,ClCCl,543.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,C1COCCO1,519.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,CC#N,535.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,CC(C)=O,533.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,CCCCCC,508.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,CCO,549.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,CCOC(C)=O,524.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,CO,553.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,CS(C)=O,552.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,Cc1ccccc1,524.0
6261,CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1,ClCCl,539.0
5286,CCCCN(CCCC)c1ccc2nc3c4ccccc4c(=O)c(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)c-3oc2c1,ClCCl,577.0
927,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)cc(C(C)(C)C)c1,ClCCl,590.0
4715,CCCCCCc1cc(-c2cc3c4nn(C[C@@H](CC)CCCC)nc4c4cc(-c5cc6c(s5)c5ccccc5n6C[C@H](CC)CCCC)sc4c3s2)sc1/C=C(\C#N)C(=O)O,C1CCOC1,469.0
4712,CCCCCCc1cc(-c2cc3c4nn(CC(CC)CCCC)nc4c4cc(-c5cc6c(s5)c5ccccc5n6CC(CC)CCCC)sc4c3s2)sc1/C=C(/C#N)C(=O)O,C1CCOC1,469.0
6386,CCN1CCCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3)C(C)=CC(C)(C)[N+]=2CC,CCO,647.0
6610,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1,CC#N,334.0
6610,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1,CCOC(C)=O,334.0
6610,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1,CN(C)C=O,342.0
6610,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1,CS(C)=O,344.0
6610,CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1,c1ccccc1,332.0
3782,CCCCCCCCn1c(-c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)s2)nc2c3ccc(OC)cc3c3cc(OC)ccc3c21,ClC(Cl)Cl,532.0
3783,CCCCCCCCn1c(-c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)s2)nc2c3ccccc3c3ccccc3c21,ClC(Cl)Cl,532.0
2508,CCCC1(CCC)c2cc(-c3ccco3)ccc2-c2ccc(-c3ccco3)cc21,C1CCCCC1,364.0
138,C(#Cc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1,Cc1ccccc1,362.0
11083,Cc1ccc(C#Cc2ccc3ccc4cccc5ccc2c3c45)cc1,CCCCCC,362.0
11083,Cc1ccc(C#Cc2ccc3ccc4cccc5ccc2c3c45)cc1,CCO,362.0
11083,Cc1ccc(C#Cc2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,365.0
11083,Cc1ccc(C#Cc2ccc3ccc4cccc5ccc2c3c45)cc1,CCOC(C)=O,362.0
14291,O=[N+]([O-])c1cc[nH]c1,CO,270.0
14291,O=[N+]([O-])c1cc[nH]c1,O,280.0
14390,O=[N+]([O-])c1ccc[nH]1,CO,336.0
14390,O=[N+]([O-])c1ccc[nH]1,O,350.0
14740,[C-]#[N+]/C(=C/c1ccc(N(c2ccc(-c3cccc(N(C)C)c3)cc2)c2ccc(-c3nc4c(-c5cccc(OC)c5)ccc(-c5cccc(OC)c5)c4[nH]3)cc2)cc1)C(=O)O,Cc1ccccc1,428.0
14740,[C-]#[N+]/C(=C/c1ccc(N(c2ccc(-c3cccc(N(C)C)c3)cc2)c2ccc(-c3nc4c(-c5cccc(OC)c5)ccc(-c5cccc(OC)c5)c4[nH]3)cc2)cc1)C(=O)O,ClC(Cl)Cl,428.0
14741,[C-]#[N+]/C(=C/c1ccc(N(c2ccc(-c3cccc(OC)c3)cc2)c2ccc(-c3nc4c(-c5cccc(OC)c5)ccc(-c5cccc(OC)c5)c4[nH]3)cc2)cc1)C(=O)O,Cc1ccccc1,428.0
14741,[C-]#[N+]/C(=C/c1ccc(N(c2ccc(-c3cccc(OC)c3)cc2)c2ccc(-c3nc4c(-c5cccc(OC)c5)ccc(-c5cccc(OC)c5)c4[nH]3)cc2)cc1)C(=O)O,ClC(Cl)Cl,428.0
13540,O=C(O)C1=CC=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC1,CC#N,379.0
15166,c1ccc(-n2c3ccccc3c3cc(-n4ccc5cc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)ccc54)ccc32)cc1,ClCCl,308.0
4618,CCCCCCOc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3cc(OCCCCCC)ccc3-4)c3ccc4c(c3)C(C)(C)c3c-4sc4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)sc34)ccc1-2,CCO,493.0
14031,O=C1c2cc3ccccc3cc2C2=Nc3ccc4ccccc4[n+]3[B-](F)(F)N12,ClCCl,419.0
995,CC(C)(C)c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,330.0
996,CC(C)(C)c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,316.0
484,C=C(C)C(CN1C(=O)c2cccc3c2c(cc2nc(C)oc23)C1=O)OO,CCO,361.0
1324,CC(C)=CCN1C(=O)c2cccc3c2c(cc2nc(C)oc23)C1=O,CCO,362.0
1430,CC(C)[Si](C#Cc1c2nsnc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4cc5ccccc5cc43)nc12)(C(C)C)C(C)C,CCCCCC,579.0
1900,CC1(C)c2ccccc2N(c2ccc3c(c2)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2c2nc4ccccc4nc32)c2ccccc21,Cc1ccccc1,380.0
4301,CCCCCCOc1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)c(OCCCCCC)c1,ClCCl,493.0
4306,CCCCCCOc1ccc(-n2c3cc(C=C(C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)cc1,ClC(Cl)Cl,476.0
14847,c1cc2c3c(c1)-c1ccc4ccccc4c1NB3Nc1c-2ccc2ccccc12,ClCCl,381.0
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,C1CCOC1,629.8635744
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,CC#N,591.0277399
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,CC(C)=O,603.4424739
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,CO,535.6389268
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,CS(C)=O,593.4151887
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,Cc1ccccc1,655.0113688
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,ClC(Cl)Cl,614.5839018
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,ClCCl,614.5839018
7037,CC[n+]1ccc2ccccc2c1/C=C/c1c([O-])ccc2ccc(=O)oc12,O,491.7098681
2132,CC1=[N+]2C(=C(Oc3ccc4c(c3)CC[C@@H]3[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]34)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,579.5
2132,CC1=[N+]2C(=C(Oc3ccc4c(c3)CC[C@@H]3[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]34)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,574.0
14149,O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,C1CCOC1,374.0
14149,O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCCCCC,368.0
14149,O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCOC(C)=O,371.0
14149,O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCOCC,369.0
14149,O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,Cc1ccccc1,376.0
14149,O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,ClC(Cl)(Cl)Cl,376.0
14149,O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,ClCCl,379.0
14081,O=C1c2ccccc2C(=O)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,C1CCOC1,447.0
14081,O=C1c2ccccc2C(=O)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,CCCCCC,442.0
14081,O=C1c2ccccc2C(=O)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,CCOC(C)=O,446.0
14081,O=C1c2ccccc2C(=O)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,CCOCC,443.0
14081,O=C1c2ccccc2C(=O)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,Cc1ccccc1,454.0
14081,O=C1c2ccccc2C(=O)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,ClC(Cl)(Cl)Cl,457.0
14081,O=C1c2ccccc2C(=O)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,459.0
9591,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,C1CCOC1,477.0
9591,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCCCCC,468.0
9591,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCOC(C)=O,472.0
9591,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCOCC,472.0
9591,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,Cc1ccccc1,481.0
9591,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,ClC(Cl)(Cl)Cl,483.0
9591,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,ClCCl,485.0
11238,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,C1CCOC1,463.0
11238,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCCCCC,457.0
11238,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCOC(C)=O,461.0
11238,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCOCC,459.0
11238,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,Cc1ccccc1,470.0
11238,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,ClC(Cl)(Cl)Cl,474.0
11238,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,ClCCl,476.0
8061,CN1c2ccccc2Sc2cc3ccccc3c(/C=C(\C#N)C(=O)O)c21,C1CCOC1,363.0
1821,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4C4C=CC5CC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClCCl,485.0
1617,CC1(C)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,ClCCl,355.0
956,CC(C)(C)c1cc(CN2C(=O)/C(=c3\s/c(=C/c4ccc(-c5ccc(-c6ccc7c(c6)C6CCCC6N7c6ccc(C=C(c7ccccc7)c7ccccc7)cc6)s5)s4)c(=O)n3CC(=O)O)SC2=S)cc(C(C)(C)C)c1,ClC(Cl)Cl,564.0
998,CC(C)(C)c1ccc(-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(C#N)c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,360.0
1602,CC1(C)C(C=CC=CC=C2N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=Nc2ccc(S(=O)(=O)O)cc21,O,640.0
4146,CCCCCCN1c2ccccc2Sc2cc(C=Cc3ccc(N(c4ccccc4)c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4)cc3)ccc21,ClCCl,475.0
9595,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)o5)cc4s3)cc2)cc1,ClCCl,463.0
1130,CC(C)(C)c1ccc(N(c2ccc(C3=[O+][B-](F)(F)OC(c4ccc(-c5ccc(C(=O)O)cc5)cc4)=C3)cc2)c2ccc(C(C)(C)C)cc2)cc1,CC#N,483.0
7948,CN1C(=CC2=C(O)C(=O)C2=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21,CCO,492.0
1933,CC1=C(C)C(c2c(C)c(C)c3n2[B-](F)(F)[N+]2=C(C)C(C)=C(C)C2=C3)=[N+]2C1=Cc1c(C)c(C)c(C)n1[B-]2(F)F,ClCCl,562.0
12467,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1)C(=O)O,C1CCOC1,447.0
12694,N#CC(=Cc1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1)C(=O)O,C1CCOC1,447.0
9979,COc1ccccc1C1=[N+]2C(=C(c3ccccc3)c3c4c(c(-c5ccccc5OC)n3[B-]2(F)F)C2CCC4CC2)C2=C1C1CCC2CC1,ClCCl,550.0
13087,N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2c2c3nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)n2-c2ccccc2)cc1,CCOCC,366.2087912
13087,N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2c2c3nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)n2-c2ccccc2)cc1,C1CCOC1,360.4395604
13087,N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2c2c3nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)n2-c2ccccc2)cc1,CC#N,360.4395604
13087,N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2c2c3nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)n2-c2ccccc2)cc1,CCCCCC,370.0549451
14731,S=c1[nH]nc(-c2ccc(/C=C/c3ccc(-c4n[nH]c(=S)o4)cc3)cc2)o1,CN(C)C=O,334.0
15265,c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5S4)c4ccccc4-c4ccccc43)cc2)cc1,ClCCl,356.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,C1COCCO1,381.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,CC#N,378.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,CCCCCC,372.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,CCO,383.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,CN(C)C=O,384.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,CO,382.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,CS(C)=O,388.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,Cc1ccccc1,382.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,ClC(Cl)Cl,380.0
10954,Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1,c1ccccc1,382.0
10947,Cc1ccc(-c2ccc(/C=C/c3ccc(Br)n3C)cn2)nc1,CC#N,373.0
15072,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4c5ccccc5n(-c5ccccc5)c34)n2)cc1,Cc1ccccc1,378.0653951
14033,O=C1c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2C(=O)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc21,Cc1ccccc1,456.0
4130,CCCCCCN1c2ccccc2Sc2cc(-c3ccc4c(c3)Sc3cc(-c5ccc6c(c5)Sc5cc(/C=C(\C#N)C(=O)O)ccc5N6CCCCCC)ccc3N4CCCCCC)ccc21,ClCCl,478.0
5775,CCCCn1cc(/C=C/c2cc(=O)oc3cc(C)ccc23)c2ccccc21,ClC(Cl)Cl,398.0
5775,CCCCn1cc(/C=C/c2cc(=O)oc3cc(C)ccc23)c2ccccc21,CS(C)=O,414.0
15092,c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1,C1CCOC1,321.2349398
10122,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,689.0
10122,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,O,624.0
2205,CC1CCCCN1c1c(F)cc2c(c1F)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2,CCO,595.0
2191,CC1CC(C)CN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)C1,CCO,612.0
2191,CC1CC(C)CN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)C1,ClC(Cl)Cl,686.0
2191,CC1CC(C)CN(c2c(F)cc3c(c2F)OC2=C(/C=C/C4=[N+](C)c5ccccc5C4(C)C)CCCC2=C3)C1,O,619.0
2205,CC1CCCCN1c1c(F)cc2c(c1F)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2,ClC(Cl)Cl,610.0
10119,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCC(C(=O)O)CC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,CCO,620.0
10119,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCC(C(=O)O)CC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,634.0
10119,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCC(C(=O)O)CC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,O,619.0
10122,C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCCCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,CCO,621.0
5089,CCCCCCn1c2ccccc2c2c(-c3ccccc3)c3c(c(-c4ccccc4)c21)c1cc(-c2ccc(-c4cc5sc(/C=C(\C#N)C(=O)O)cc5s4)c4nsnc24)ccc1n3CCCCCC,C1CCOC1,522.0
5844,CCCOc1cc2c(C(C)(C)C)c(c1)Cc1cc(OCCCCC(=O)OCc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)Cc1cc(OCCC)cc(c1C(C)(C)C)Cc1cc(OCCCCC(=O)OCc3cc(-c4ccc(C=C(C#N)C(=O)O)s4)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)C2,C1CCOC1,436.0
14105,O=Cc1c2c(cc3ccc(N4CCCC4)cc13)CCC2,ClCCl,440.0
664,CC(=O)c1c2c(cc3ccc(N4CCCC4)cc13)CCC2,ClCCl,390.0
5588,CCCCc1cc(-c2ccncc2)c2ccc3c(CCCC)cc(-c4ccncc4)c4ccc1c2c34,Cc1ccccc1,372.0
14834,c1cc(-c2ccc3ccc4c(-c5ccncc5)ccc5ccc2c3c54)ccn1,Cc1ccccc1,358.0
13630,O=C(O)CN1C(=O)/C(=C\c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)SC1=S,ClCCl,468.0
13623,O=C(O)CN1C(=O)/C(=C\c2cc(Br)c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2Br)SC1=S,ClCCl,478.0
13624,O=C(O)CN1C(=O)/C(=C\c2cc(Cl)c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2Cl)SC1=S,ClCCl,480.0
12917,N#Cc1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1,420.0
1674,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5c4OCCO5)s2)c(=O)oc31,C1CCOC1,509.0
15502,c1ccc2cc3c4c(ccc3cc2c1)-c1cccc2cccc-4c12,CCCCCCC,407.0
665,CC(=O)c1c2c(cc3ccc(N4CCCCC4)cc13)CCC2,ClCCl,362.0
6997,CC[N+]1=c2cc3c(cc2CCC1)=Nc1cc2c(cc1O3)N(CCCC(=O)O)CCC2,O,662.0
6390,CCN1CCCc2cc3c(cc21)Oc1cc2c(cc1=N3)C(CS(=O)(=O)[O-])CC(C)(C)[N+]=2CCCC(=O)[O-],O,655.0
5781,CCCN(CCC)C(=O)CNc1c(-c2ccc(C)o2)nc2cc(C(=O)OC)ccn12,CS(C)=O,391.0
5108,CCCCCCn1c2ccccc2c2cc(-c3ccc(C=C4C(=O)NC(=S)NC4=O)cc3)ccc21,ClC(Cl)Cl,489.0
2340,CCC1(CC)c2cc(Br)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(-c4cccs4)ccc2-3)C(CC)(CC)c2cc(-c3cccs3)ccc2-1,C1CCOC1,338.0
13211,N#Cc1nc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)n1,Cc1ccccc1,371.0
15401,c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2cc2ccccc12,Cc1ccccc1,416.0
12123,F[B-]1(F)n2c(nc(Br)c2Br)-c2cccc[n+]21,CO,357.0
12123,F[B-]1(F)n2c(nc(Br)c2Br)-c2cccc[n+]21,ClC(Cl)Cl,374.0
12144,F[B-]1(F)n2ccnc2-c2cccc[n+]21,C1COCCO1,297.0
12144,F[B-]1(F)n2ccnc2-c2cccc[n+]21,CO,293.0
12144,F[B-]1(F)n2ccnc2-c2cccc[n+]21,ClC(Cl)Cl,300.0
12144,F[B-]1(F)n2ccnc2-c2cccc[n+]21,CC#N,295.0
12144,F[B-]1(F)n2ccnc2-c2cccc[n+]21,CCCCCC,297.0
12144,F[B-]1(F)n2ccnc2-c2cccc[n+]21,C1CCOC1,298.0
12144,F[B-]1(F)n2ccnc2-c2cccc[n+]21,C1CCCCC1,298.0
12123,F[B-]1(F)n2c(nc(Br)c2Br)-c2cccc[n+]21,C1CCCCC1,392.0
12123,F[B-]1(F)n2c(nc(Br)c2Br)-c2cccc[n+]21,C1CCOC1,366.0
12123,F[B-]1(F)n2c(nc(Br)c2Br)-c2cccc[n+]21,C1COCCO1,366.0
12123,F[B-]1(F)n2c(nc(Br)c2Br)-c2cccc[n+]21,CC#N,356.0
12123,F[B-]1(F)n2c(nc(Br)c2Br)-c2cccc[n+]21,CCCCCC,393.0
12800,N#CC(=Cc1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,352.0
12871,N#CC(C#N)=Cc1nc2ccc(C#Cc3ccc(N(c4ccc(C#Cc5ccc6nc(C=C(C#N)C#N)sc6c5)cc4)c4ccc(C#Cc5ccc6nc(C=C(C#N)C#N)sc6c5)cc4)cc3)cc2s1,Cc1ccccc1,480.0
140,C(#Cc1ccc2ncsc2c1)c1ccc(N(c2ccc(C#Cc3ccc4ncsc4c3)cc2)c2ccc(C#Cc3ccc4ncsc4c3)cc2)cc1,Cc1ccccc1,380.0
14161,O=Cc1nc2ccc(C#Cc3ccc(N(c4ccc(C#Cc5ccc6nc(C=O)sc6c5)cc4)c4ccc(C#Cc5ccc6nc(C=O)sc6c5)cc4)cc3)cc2s1,Cc1ccccc1,414.0
7797,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1,CS(C)=O,430.0
7798,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1,CS(C)=O,430.0
631,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1cc(NC(=S)Nc2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O,O,549.0
4384,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(C=C(C#N)C(=O)O)s4)c4nn(CCCCCC)nc34)cc2)cc1,C1CCOC1,464.0
4380,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nn(CCCCCC)nc34)cc2)cc1,C1CCOC1,464.0
5600,CCCCc1ccc(-n2c(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)nc3c4ccccc4c4ccccc4c32)cc1,CN(C)C=O,432.0
15321,c1ccc(Oc2cc3c4c([n+]5c(-c6ccccc6)c(-c6ccccc6)c6ccccc6c5c(-c5ccccc5)c4c2)OC(c2ccccc2)=C3c2ccccc2)cc1,ClCCl,476.0
5065,CCCCCCn1c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)o3)ccc21,CN(C)C=O,427.0
5066,CCCCCCn1c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,CN(C)C=O,427.0
617,CC(=O)Nc1ccccc1C(=O)OC1CC(C)CCC1C(C)C,C1CCCCC1,315.0
617,CC(=O)Nc1ccccc1C(=O)OC1CC(C)CCC1C(C)C,CC#N,310.0
617,CC(=O)Nc1ccccc1C(=O)OC1CC(C)CCC1C(C)C,CCO,310.0
617,CC(=O)Nc1ccccc1C(=O)OC1CC(C)CCC1C(C)C,CO,307.0
617,CC(=O)Nc1ccccc1C(=O)OC1CC(C)CCC1C(C)C,Cc1ccccc1,313.0
617,CC(=O)Nc1ccccc1C(=O)OC1CC(C)CCC1C(C)C,ClC(Cl)Cl,312.0
617,CC(=O)Nc1ccccc1C(=O)OC1CC(C)CCC1C(C)C,ClCCl,310.0
9018,COc1ccc(-c2cc3ccccc3p2-c2ccccc2)cc1,C1CCOC1,340.0
11961,FC(F)(F)c1ccc(-c2cc3ccccc3p2-c2ccccc2)cc1,C1CCOC1,329.0
14976,c1ccc(-c2cc3ccccc3p2-c2ccccc2)cc1,C1CCOC1,321.0
8840,COc1cc2c(cc1-c1ccsc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccsc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,417.0
2647,CCCCC(CC)COc1ccc(-c2cc3c(s2)c2c4nsnc4c4c5sc(C#Cc6ccc(-c7ccc(C(=O)O)cc7)c7nsnc67)cc5n(CC(CC)CCCC)c4c2n3CC(CC)CCCC)cc1,ClCCl,512.0
3391,CCCCCCCCN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5c4OCCO5)cc3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)cc2)cc1,C1CCOC1,520.0
14207,O=P1(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccccc21,ClCCl,344.0
10338,Cc1c(COC(=O)Cc2ccccc2)n2c(OCC(=O)Cc3ccccc3)c(C)c(=O)n2c1=O,CCO,379.0
3854,CCCCCCCCn1c2ccccc2c2cc3c(cc21)c1cc(-c2cc(CCCCCC)c(-c4cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s4)s2)ccc1n3CCCCCCCC,Cc1ccccc1,492.0
3855,CCCCCCCCn1c2ccccc2c2cc3c(cc21)c1cc(-c2cc(CCCCCC)c(-c4cc(CCCCCC)c(C=C(C#N)C(=O)O)s4)s2)ccc1n3CCCCCCCC,Cc1ccccc1,492.0
14890,c1cc2ccc3cc4[nH]c(-c5cc6c(cc7ccc8cccc9ccc6c7c89)[nH]5)cc4c4ccc(c1)c2c34,C1CCOC1,473.0
3036,CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5c4OCCO5)s3)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,724.0
3395,CCCCCCCCN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5c4OCCO5)s3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,724.0
3934,CCCCCCN(c1ccc(/C=C(\C#N)c2ccc(/C=C(\C#N)C(=O)O)s2)cc1)c1ccc(/C=C(\C#N)c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,CN(C)C=O,458.0
3935,CCCCCCN(c1ccc(/C=C(\C#N)c2ccc(C=C(C(=O)O)C(=O)O)s2)cc1)c1ccc(/C=C(\C#N)c2ccc(C=C(C(=O)O)C(=O)O)s2)cc1,CN(C)C=O,465.0
14343,O=[N+]([O-])c1ccc(C#Cc2ccc3ccc(C#Cc4ccc([N+](=O)[O-])cc4)cc3c2)cc1,ClCCl,347.0
8886,COc1cc2cc(OC)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1C#Cc1ccc([N+](=O)[O-])cc1,ClCCl,360.0
8886,COc1cc2cc(OC)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1C#Cc1ccc([N+](=O)[O-])cc1,C1CCOC1,361.0
8886,COc1cc2cc(OC)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1C#Cc1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,362.0
4294,CCCCCCOc1ccc(-c2nc3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3nc2-c2ccc(OCCCCCC)cc2)cc1,C1CCOC1,471.0
1867,CC1(C)c2ccccc2N(c2ccc(-c3nc(C#N)c(C#N)nc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,436.0
13004,N#Cc1c(N2CCCCC2)cc(-c2ccc3ccccc3c2)c2c1C(=O)c1ccccc1-2,C1CCOC1,346.0
11209,Cc1ccc(N(c2cc(C(C)(C)C)ccc2C)c2ccc3ccc4c(N(c5ccc(C)cc5C)c5cc(C(C)(C)C)ccc5C)ccc5ccc2c3c54)c(C)c1,Cc1ccccc1,431.0
15299,c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1,Cc1ccccc1,426.0
15299,c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1,ClCCl,423.0
13155,N#Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C#N)cc5)ccc5ccc2c3c54)cc1,ClCCl,407.0
9616,COc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(OC)cc5)ccc5ccc2c3c54)cc1,ClCCl,432.0
12221,Fc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(F)cc5)ccc5ccc2c3c54)cc1,ClCCl,423.0
11607,Cc1ccccc1N(c1ccc(C(C)(C)C)cc1)c1ccc2ccc3c(N(c4ccc(C(C)(C)C)cc4)c4ccccc4C)ccc4ccc1c2c43,Cc1ccccc1,432.0
11275,Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C)cc5)ccc5ccc2c3c54)cc1,ClCCl,428.0
11608,Cc1ccccc1N(c1ccccc1C)c1ccc2ccc3c(N(c4ccccc4C)c4ccccc4C)ccc4ccc1c2c43,Cc1ccccc1,425.0
1135,CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc5ccc2c3c54)cc1,ClCCl,428.0
2367,CCC1(CC)c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)s5)ccc3-4)cc2-c2ccc(C(c3ccccc3)c3ccccc3)cc21,C1CCOC1,468.0
13831,O=C(c1ccc(C(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,425.0
841,CC(C)(C)Nc1c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)nc2cnccn12,ClC(Cl)Cl,453.33
8125,COC(=O)/C=C/c1sc(-c2ccc(N(C)C)cc2)c(-c2ccc(OC)cc2)c1O,CC#N,451.0
7716,CN(C)c1ccc2c3c(c(=O)oc2c1)C=c1cc2c(cc1O3)=[N+](CCC(=O)O)CCC2,CC#N,593.0
7716,CN(C)c1ccc2c3c(c(=O)oc2c1)C=c1cc2c(cc1O3)=[N+](CCC(=O)O)CCC2,CO,591.0
7716,CN(C)c1ccc2c3c(c(=O)oc2c1)C=c1cc2c(cc1O3)=[N+](CCC(=O)O)CCC2,ClCCl,606.0
7716,CN(C)c1ccc2c3c(c(=O)oc2c1)C=c1cc2c(cc1O3)=[N+](CCC(=O)O)CCC2,O,587.0
6607,CCOC(=O)CC[N+]1=c2cc3c(cc2CCC1)=Cc1c(c2ccc(N(C)C)cc2oc1=O)O3,CC#N,593.0
6607,CCOC(=O)CC[N+]1=c2cc3c(cc2CCC1)=Cc1c(c2ccc(N(C)C)cc2oc1=O)O3,CO,591.0
6607,CCOC(=O)CC[N+]1=c2cc3c(cc2CCC1)=Cc1c(c2ccc(N(C)C)cc2oc1=O)O3,ClCCl,606.0
6607,CCOC(=O)CC[N+]1=c2cc3c(cc2CCC1)=Cc1c(c2ccc(N(C)C)cc2oc1=O)O3,O,587.0
8645,COc1cc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc(OC)c1OC,CC#N,418.0
8645,COc1cc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc(OC)c1OC,CC(C)=O,420.0
8645,COc1cc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc(OC)c1OC,CC(C)O,416.0
8645,COc1cc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc(OC)c1OC,CO,412.0
8645,COc1cc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc(OC)c1OC,ClC(Cl)Cl,420.0
8645,COc1cc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc(OC)c1OC,ClCCl,420.0
8645,COc1cc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc(OC)c1OC,c1ccccc1,422.0
8970,COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc1,CC#N,418.0
8970,COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc1,CC(C)=O,420.0
8970,COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc1,CC(C)O,414.0
8970,COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc1,CO,414.0
8970,COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc1,ClC(Cl)Cl,418.0
8970,COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc1,ClCCl,422.0
8970,COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c(C#N)c(N4CCCC4)nc(N)c23)cc1,c1ccccc1,424.0
8972,COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC#N,416.0
8972,COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)=O,416.0
8972,COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)O,412.0
8972,COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CO,412.0
8972,COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClC(Cl)Cl,420.0
8972,COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClCCl,418.0
8972,COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,c1ccccc1,420.0
10934,Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC#N,410.0
10934,Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)=O,412.0
10934,Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)O,410.0
10934,Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CO,408.0
10934,Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClC(Cl)Cl,416.0
10934,Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClCCl,414.0
10934,Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,c1ccccc1,418.0
10936,Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC#N,412.0
10936,Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)=O,414.0
10936,Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)O,414.0
10936,Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CO,414.0
10936,Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClC(Cl)Cl,420.0
10936,Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClCCl,420.0
10936,Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,c1ccccc1,424.0
10937,Cc1ccc(-c2cc(-c3ccccc3Cl)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC#N,414.0
10937,Cc1ccc(-c2cc(-c3ccccc3Cl)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)=O,422.0
10937,Cc1ccc(-c2cc(-c3ccccc3Cl)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)O,414.0
10937,Cc1ccc(-c2cc(-c3ccccc3Cl)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CO,416.0
10937,Cc1ccc(-c2cc(-c3ccccc3Cl)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClC(Cl)Cl,418.0
10937,Cc1ccc(-c2cc(-c3ccccc3Cl)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClCCl,422.0
10937,Cc1ccc(-c2cc(-c3ccccc3Cl)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,c1ccccc1,426.0
4894,CCCCCCc1cc2c(s1)-c1ccccc1N1B2c2cc(CCCCCC)sc2-c2ccccc21,C1CCOC1,357.0
11699,Cc1nn(-c2ccccc2)c2c1c(=O)oc1ccc(-n3c4ccccc4c4ccccc43)cc12,Cc1ccccc1,341.0
4961,CCCCCCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4sc(-c5cc6sc(/C=C(\C#N)C(=O)O)c(CCCCCC)c6s5)c5c4OCCO5)cc3)c3ccc4c(c3)C(C)(C)c3cc(CCCCCC)ccc3-4)ccc1-2,C1CCOC1,476.0
4686,CCCCCCc1c(-c2sc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3c2OCCO3)sc2cc(/C=C(\C#N)C(=O)O)sc12,C1CCOC1,481.0
15170,c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1,ClCCl,342.0
13007,N#Cc1c(N2CCCCC2)cc(-c2cccc3ccccc23)c2c1-c1ccccc1C2=O,C1CCOC1,390.0
5758,CCCCn1c2ccccc2c2cc(-c3ccc(-c4cc5c(s4)c4sc(/C=C(/C#N)C(=O)O)cc4n5-c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)s3)ccc21,C1CCOC1,496.0
5759,CCCCn1c2ccccc2c2cc(-c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5-c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)s3)ccc21,C1CCOC1,496.0
7966,CN1C(=CC2=C([O-])C(=O)C2=C(C#N)C#N)C=Cc2ccccc21,CCO,515.0
3426,CCCCCCCCN1c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2Sc2cc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)c4nsnc34)ccc21,ClCCl,410.0
4799,CCCCCCc1cc(-c2ccc3c(c2)Sc2cc(-c4cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s4)ccc2N3c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)sc1/C=C(\C#N)C(=O)O,C1CCOC1,496.0
12486,N#C/C(=C\c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2N3c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,C1CCOC1,484.0
13188,N#Cc1cccc(C#N)c1-c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc(-c4c(C#N)cccc4C#N)cc2)c2ccccc23)cc1,Cc1ccccc1,371.0306407
3508,CCCCCCCCOc1ccc(-c2ccc(-n3c4ccc(-c5ccc(OCCCCCCCC)cc5)cc4c4cc(-c5ccc(-c6ccc(C(=O)O)cc6)c6nsnc56)ccc43)cc2)cc1,ClC(Cl)Cl,433.0
14038,O=C1c2ccc(N(c3ccccc3)c3ccccc3)cc2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,449.0
7005,CC[P](CC)(CC)[Pt](C#Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)(C#Cc1ccc(/C=C(/C#N)C(=O)O)s1)[P](CC)(CC)CC,ClCCl,461.0
3197,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c3ccccc3c(N(c3ccc(CCCCCCCC)cc3)c3ccc(CCCCCCCC)cc3)c3ccccc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(-c2ccc(C(=O)O)cc2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,696.0
15111,c1ccc(-c2nc3ccccc3nc2-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1,Cc1ccccc1,335.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CCOC(C)=O,506.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CN(C)C=O,529.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CO,509.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CS(C)=O,519.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,Cc1ccccc1,500.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,ClCCl,511.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,C1COCCO1,563.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CC#N,602.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CCO,607.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CCOC(C)=O,573.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CN(C)C=O,594.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CO,599.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CS(C)=O,585.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,Cc1ccccc1,561.0
6098,CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,ClCCl,611.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,C1COCCO1,497.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CC#N,510.0
6210,CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4o3)c(=O)oc2c1,CCO,516.0
8017,CN1CCCc2cc3c(cc21)Oc1cc2c(cc1=N3)OCC[N+]=2C,CO,649.0
9634,COc1ccc(N2c3sc4ccccc4c3Sc3sc4ccccc4c32)cc1,ClCCl,319.0
7623,CN(C)c1ccc(N2c3sc4ccccc4c3Sc3sc4ccccc4c32)cc1,ClCCl,319.0
11797,Clc1ccccc1N1c2sc3ccccc3c2Sc2sc3ccccc3c21,ClCCl,314.0
11610,Cc1ccccc1N1c2sc3ccccc3c2Sc2sc3ccccc3c21,ClCCl,325.0
11779,Clc1ccc(N2c3sc4ccccc4c3Sc3sc4ccccc4c32)cc1,ClCCl,310.0
14668,Oc1ccc2ccccc2c1/C=N/CC/N=C/c1c(O)ccc2ccccc12,CC#N,408.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,C1COCCO1,430.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,CC(C)=O,447.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,CCCCCC,439.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,CCCCCCO,430.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,CCO,431.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,CCOC(C)=O,431.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,CO,436.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,Cc1ccccc1,433.0
7516,CN(C)c1ccc(C#Cc2ccc3ccc4c(C#Cc5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1,ClCCl,439.0
1352,CC(C)CCCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,468.0
3815,CCCCCCCCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,468.0
5069,CCCCCCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,468.0
10607,Cc1cc(=O)cc(-c2ccc(-c3nc4ccccn4c3NC3CCCCC3)cc2)o1,ClCCl,357.0
7643,CN(C)c1ccc2c(-c3ccc(C4OCCCO4)cc3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,490.0
5092,CCCCCCn1c2ccccc2c2cc(-c3c(/C=C(\C#N)C(=O)O)sc(/C=C(\C#N)C(=O)O)c3-c3ccc4c(c3)c3ccccc3n4CCCCCC)ccc21,ClC(Cl)Cl,393.0
15463,c1ccc2c(c1)ccc1ccc3ccc4ccc5ccccc5c4c3c12,ClCCl,435.0
7148,CCn1c2ccc(/C=C/c3ccc4c(c3)c3cc(-c5nc6ccccc6s5)ccc3n4CC)cc2c2cc(-c3nc4ccccc4s3)ccc21,C1CCOC1,361.0
7148,CCn1c2ccc(/C=C/c3ccc4c(c3)c3cc(-c5nc6ccccc6s5)ccc3n4CC)cc2c2cc(-c3nc4ccccc4s3)ccc21,CCOC(C)=O,360.0
6425,CCN1c2cc3[o+]c4c(c(-c5ccccc5C(=O)N(C)CCS(=O)(=O)[O-])c3cc2C(CS(=O)(=O)[O-])=CC1(C)C)CCC/C4=C\C=C\C=C1\N(CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C,CCO,847.0
10439,Cc1cc(/C=C/[C@@H](C)c2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,565.0
1420,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,CCCCCC,570.0
1420,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,ClCCl,570.0
3567,CCCCCCCCOc1ccc(N(c2ccc(C=c3sc(=C(C#N)C#N)[nH]c3=O)cc2)c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,484.0
12878,N#CC(C#N)=c1[nH]c(=O)/c(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,CCO,435.0
3565,CCCCCCCCOc1ccc(N(c2ccc(/C=c3\sc(=C(C#N)C#N)[nH]c3=O)cc2)c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,484.0
1911,CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(C(=O)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5N6c5ccccc5)cc4)cc3)cc21,Cc1ccccc1,377.5919732
4433,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3scc(C=C(C#N)C(=O)O)c3n4CCCCCC)cc2)cc1,ClCCl,524.0
5042,CCCCCCn1c2cc(/C=C(\C#N)C(=O)O)sc2c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,484.0
5054,CCCCCCn1c2cc(C=C(C#N)C(=O)O)sc2c2sc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21,ClCCl,502.0
4422,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(/C=C(/C#N)C(=O)O)cc3n4CCCCCC)cc2)cc1,ClCCl,525.0
2826,CCCCCC/C=C/c1cc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1-c1cc2c(s1)c1sc(C=C(C#N)C(=O)O)cc1n2CCCCCC,ClCCl,492.0
4426,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4CCCCCC)cc2)cc1,C1CCOC1,506.0
4426,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4CCCCCC)cc2)cc1,ClCCl,525.0
2727,CCCCC(CC)Cn1c2cc(C=C(C#N)C(=O)O)sc2c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClC(Cl)Cl,479.0
10843,Cc1cc2c(o1)=CC1=Cc3cc4oc(C)cc4n3[B-](F)(F)[N+]=21,ClC(Cl)Cl,579.0
10841,Cc1cc2c(o1)=CC1=C(C(F)(F)F)c3cc4oc(C)cc4n3[B-](F)(F)[N+]=21,ClC(Cl)Cl,613.0
1467,CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)ccc32)c(C(C)C)c1,Cc1ccccc1,438.0
3487,CCCCCCCCOc1cc(C)cc(OCCCCCCCC)c1-n1c2cc(-c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)c3cccc4c5cccc6c(-c7ccc(-c8cc9c(s8)-c8sc(C=C(C#N)C(=O)O)cc8C9(CCCCCC)CCCCCC)c8nsnc78)cc1c(c65)c2c34,ClC(Cl)Cl,502.0
3806,CCCCCCCCn1c2cc(-c3cccs3)ccc2c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3F)cc21,ClCCl,357.0
12620,N#C/C(C(=O)O)=C1/c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc21,C1CCOC1,540.0
5677,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21,ClCCl,497.0
9791,COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4sc4cc(N)ccc34)ccc2c1,O,525.0
13368,Nc1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3sc2c1,O,520.0
8200,COC(=O)C1CCN(c2ccc3c(N4CCCCC4)c4ccc(=[N+]5CCC(C(=O)OC)CC5)cc-4oc3c2)CC1,ClCCl,482.0
14844,c1cc2c(N3CCCCC3)c3ccc(=[N+]4CCCCC4)cc-3oc2cc1N1CCCCC1,ClCCl,491.0
14772,[NH2+]=c1ccc2c(-c3ccc(CN4CCCCC4)cc3)c3c(cc4n3CCCCCC=C4)oc-2c1,O,540.0
2993,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)cc3)cc21,C1CCOC1,470.0
2562,CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)cc3)cc21,C1CCOC1,471.0
4208,CCCCCCOc1cc(N(CC)CC)ccc1/C=C(\C#N)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc3c(c2)c2ccccc2n3CC)s1,ClCCl,570.0
1264,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(C(=O)c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)n1,C1CCOC1,336.5789474
1264,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(C(=O)c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)n1,Cc1ccccc1,337.9227053
1264,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(C(=O)c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)n1,ClCCl,336.5789474
4821,CCCCCCc1cc(-c2sc(-c3sc(-c4cc5c(s4)c4ccccc4n5CC)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,496.0
12653,N#CC(=Cc1ccc(-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,C1CCOC1,456.0
12581,N#C/C(=C\c1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccccc3)ccc1C21c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21)C(=O)O,CC#N,392.0
8623,COc1c(C=Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1C=Cc1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,343.0
15319,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4ccc5cccc6ccc3c4c56)n2)cc1,CC#N,342.0
15319,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4ccc5cccc6ccc3c4c56)n2)cc1,CCCCOCCCC,342.0
15319,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4ccc5cccc6ccc3c4c56)n2)cc1,CO,340.0
4185,CCCCCCOc1cc(-c2ccc3c(c2)N(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2S3)ccc1C=C1SC(SCCCCCC)=C(SCCCCCC)S1,C1CCOC1,387.0
4643,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(-c3ccc4c(c3)N(CCCC)c3cc(/C=C(\C#N)C(=O)O)ccc3S4)c(F)c2)S1,C1CCOC1,383.0
4644,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(-c3ccc4c(c3)N(CCCC)c3cc(/C=C(\C#N)C(=O)O)ccc3S4)cc2)S1,C1CCOC1,450.0
4962,CCCCCCc1ccc2c3c(ccc2c1)O[B-](F)(F)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)c1)=C3,C1CCOC1,418.0
4962,CCCCCCc1ccc2c3c(ccc2c1)O[B-](F)(F)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)c1)=C3,CC#N,419.0
4962,CCCCCCc1ccc2c3c(ccc2c1)O[B-](F)(F)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)c1)=C3,Cc1ccccc1,433.0
4962,CCCCCCc1ccc2c3c(ccc2c1)O[B-](F)(F)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)c1)=C3,ClCCl,428.0
11131,Cc1ccc(C2=C3C=C4C(=[N+]3[B-](F)(F)n3c2cc2c3-c3ccccc3C23c2ccccc2-c2ccccc23)c2ccccc2C42c3ccccc3-c3ccccc32)cc1,C1CCOC1,634.0
12545,N#C/C(=C\c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)o1)C(=O)O,C1CCOC1,469.0
13454,Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1,O,274.0026304
15330,c1ccc([B-]2(c3ccccc3)Oc3ccc4ccccc4c3-c3c4ccccc4nc[n+]32)cc1,Cc1ccccc1,451.0
1815,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3)cc21,C1CCOC1,402.0
5332,CCCCN1C(=O)C2=C(c3ccc(Br)cc3)[N-]C(=O)C2=C1c1ccc(Br)cc1,ClCCl,571.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,ClC(Cl)Cl,491.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,ClCCl,485.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,C1CCOC1,473.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,C1COCCO1,475.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,CC#N,475.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,CC(C)=O,472.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,CCOC(C)=O,471.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,CN(C)C=O,478.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,CO,477.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,CS(C)=O,482.0
13874,O=C1/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)S(=O)(=O)c2ccccc21,Cc1ccccc1,485.0
15216,c1ccc(C2=C3C4=C(C5=[N+]3[B-]3(Oc6ccccc65)Oc5ccccc5-c5c6c(c2n53)C2CCC6CC2)C2CCC4CC2)cc1,ClCCl,626.0
12448,N#C/C(=C\c1ccc(-c2ccc(C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)s2)cc1)C(=O)O,CN(C)C=O,463.0
2298,CCC1(CC)c2cc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(-c4ccccc4)cc2-c2ccccc2)cc1C3(CC)CC,C1CCOC1,398.0
13613,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(/C=C4/SC(=S)N(C(=O)O)C4=O)cc3)cc2)SC1=S,CO,478.0
13614,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)cc3)cc2)SC1=S,ClC(Cl)Cl,497.0
4418,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)C(C)=C(c3sc(/C=C(/C#N)C(=O)O)c5c3OCCO5)S4(=O)=O)cc2)cc1,ClC(Cl)Cl,492.0
12160,Fc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-c1nnc(-c2ccccc2)o1,Cc1ccccc1,347.0
12116,F[B-]1(F)n2c(ccc2-n2cccn2)C=C2C=CC(n3cccn3)=[N+]21,ClCCl,562.0
4200,CCCCCCOc1cc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)c(OCCCCCC)cc1/C=C1\C(=O)c2ccccc2C1=C(C#N)C#N,ClCCl,548.0
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,C1CCOC1,458.0852038
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,C1COCCO1,459.9816007
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CC#N,459.9816007
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CC(C)O,454.9590537
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CCCCCC,452.079566
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CN(C)C=O,458.9261129
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CO,457.0383912
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,ClC(Cl)Cl,461.0419548
1692,CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,c1ccccc1,459.9816007
3178,CCCCCCCCCCCCOc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C(=C(C#N)C#N)C(=C(C#N)C#N)c2ccc(N(CCCCCCCCCCCC)CCCCCCCCCCCC)cc2)=C2/C=CC(=N2)/C=4c2ccc(OCCCCCCCCCCCC)cc2)cc1,ClCCl,610.0
2635,CCCCC(CC)COc1c(OCC(CC)CCCC)c2c3sc(-c4ccc5c(c4)c4ccccc4n5CC(CC)CCCC)cc3sc2c2sc3cc(/C=C(/C#N)C(=O)O)sc3c12,C1CCOC1,464.0
12783,N#CC(=Cc1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1)c1ccc([N+](=O)[O-])cc1,CN(C)C=O,465.0
4123,CCCCCCN1c2ccccc2Sc2cc(-c3cc4c5nc(-c6ccccc6)c(-c6ccccc6)nc5c5cc(/C=C(\C#N)C(=O)O)sc5c4s3)ccc21,C1CCOC1,474.0
4295,CCCCCCOc1ccc(-c2nc3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc6c(c5)Sc5ccccc5N6CCCCCC)cc4c3nc2-c2ccc(OCCCCCC)cc2)cc1,C1CCOC1,462.0
4966,CCCCCCc1ccsc1-c1cc(CCCCCC)c(-c2cc(CCCCCC)c(-c3cc(CCCCCC)c(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)s2)s1,ClCCl,478.0
3772,CCCCCCCCc1ccsc1-c1cc(CCCCCCCC)c(-c2ccc(-c3sc(-c4sc(C=C(C#N)C(=O)O)cc4CCCCCCCC)cc3CCCCCCCC)s2)s1,ClCCl,479.0
15547,c1csc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)c1,CC#N,413.0
4974,CCCCCCc1csc(-c2sc(-c3sc(-c4sc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)c1,ClCCl,478.0
1711,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCCCC1,461.0
1711,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCOC1,447.0
1711,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,CC(C)=O,448.0
1711,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,CS(C)=O,455.0
1711,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,Cc1ccccc1,462.0
1711,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClC(Cl)Cl,463.0
1711,CC1(C)OC(=C(C#N)C#N)C(Sc2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClCCl,457.0
1806,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc(/C=C(\C#N)C(=O)O)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,514.0
1471,CC(C)c1cc(N(C)C)c(C#N)c2c1-c1cccc3cccc-2c13,O,430.0
12438,N#C/C(=C\c1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)s1)C(=O)O,CCO,406.0
10256,C[n+]1ccc(-c2ccc([O-])cc2)cc1,CC#N,472.0
10256,C[n+]1ccc(-c2ccc([O-])cc2)cc1,CC(C)=O,479.0
10256,C[n+]1ccc(-c2ccc([O-])cc2)cc1,CC(C)O,457.0
10256,C[n+]1ccc(-c2ccc([O-])cc2)cc1,CCC(C)O,460.0
10256,C[n+]1ccc(-c2ccc([O-])cc2)cc1,CCCO,441.0
10256,C[n+]1ccc(-c2ccc([O-])cc2)cc1,CO,418.0
10256,C[n+]1ccc(-c2ccc([O-])cc2)cc1,CS(C)=O,473.0
10256,C[n+]1ccc(-c2ccc([O-])cc2)cc1,O,394.0
10961,Cc1ccc(-c2ccc3ccc4cc(C(C)(C)C)cc5ccc2c3c45)cc1,C1CCOC1,342.0
10961,Cc1ccc(-c2ccc3ccc4cc(C(C)(C)C)cc5ccc2c3c45)cc1,ClCCl,342.0
2609,CCCCC(CC)CN1c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(CC)CCCC)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,484.0
1683,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(/C=C(\C#N)c2ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s2)c(=O)oc31,CCO,552.0
10452,Cc1cc(/C=C/c2cc(Br)cc3c2OCO3)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,565.0
10577,Cc1cc(/C=C/c2cccc3c2OCO3)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
10441,Cc1cc(/C=C/c2c(Br)ccc3c2OCO3)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
2972,CCCCCCCCC(CCCCCC)Cn1c2cc(C=C(C#N)C(=O)O)c3cccc4c5cccc6c(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc1c(c65)c2c34,C1CCOC1,573.0
6828,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1cc3c(cc12)CCCN3C,CCO,602.0
6828,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1cc3c(cc12)CCCN3C,ClC(Cl)Cl,608.0
6828,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1c(=O)oc1cc3c(cc12)CCCN3C,O,602.0
6950,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4cc5c(cc4c3oc-2c1)CCCN5C,CCO,598.0
6950,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4cc5c(cc4c3oc-2c1)CCCN5C,ClC(Cl)Cl,610.0
6950,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4cc5c(cc4c3oc-2c1)CCCN5C,O,601.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,346.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1COCCO1,346.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CC#N,347.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCCC,345.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCOCCCC,345.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCN(CC)CC,345.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOC(C)=O,345.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOCC,346.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CN(C)C=O,348.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,350.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClC=C(Cl)Cl,349.0
1037,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClCCl,348.0
4386,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(C#CC#Cc4ccc(C(=O)O)cc4)c4ccccc34)cc2)cc1,ClCCl,448.0
4387,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(C#CC#Cc4ccc(C=C(C#N)C(=O)O)cc4)c4ccccc34)cc2)cc1,ClCCl,461.0
6248,CCN(CC)c1ccc2cc3c(cc2c1)C1(c2ccccc2Oc2ccccc21)c1cc2cc(N(CC)CC)ccc2cc1C3=O,CC#N,452.0
6251,CCN(CC)c1ccc2cc3cc(-c4ccc(C#N)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCO,409.0
6252,CCN(CC)c1ccc2cc3cc(-c4ccc(C(F)(F)F)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCCCCC,396.0
6252,CCN(CC)c1ccc2cc3cc(-c4ccc(C(F)(F)F)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCCCCCCCO,397.0
6252,CCN(CC)c1ccc2cc3cc(-c4ccc(C(F)(F)F)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCO,393.0
6252,CCN(CC)c1ccc2cc3cc(-c4ccc(C(F)(F)F)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CN(C)C=O,396.0
6253,CCN(CC)c1ccc2cc3cc(-c4ccc(S(C)(=O)=O)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCO,401.0
6254,CCN(CC)c1ccc2cc3cc(-c4ccc([N+](=O)[O-])cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCCCCC,456.0
11676,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)[n+]3C)s1,CO,522.0
11676,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)[n+]3C)s1,ClC(Cl)Cl,561.0
4001,CCCCCCN1C(=O)c2cccc3c(-c4scc5c4OCCO5)ccc(c23)C1=O,ClC(Cl)Cl,390.0
2974,CCCCCCCCC(CCCCCC)Cn1c2ccccc2c2cc(-c3cc4c5c6c3cccc6c3cccc6c(C#Cc7ccc(-c8ccc(C(=O)O)cc8)c8nsnc78)cc(c5c63)n4CC(CCCCCC)CCCCCCCC)ccc21,C1CCOC1,517.0
14832,c1cc(-c2ccc(N3CCCCC3)cc2)n2ncnc2n1,ClCCl,387.0
4064,CCCCCCN1c2ccc(/C=C(/C#N)c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Oc2cc(/C=C(\C#N)c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,CN(C)C=O,518.0
15003,c1ccc(-c2cccc(N3c4cc(-c5ccccc5)ccc4B4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cccc3c54)c2)cc1,ClCCl,444.0
15217,c1ccc(C2=C3c4ccccc4C4=[N+]3[B-]3(Oc5ccccc54)Oc4ccccc4-c4c5ccccc5c2n43)cc1,ClCCl,711.0
4272,CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4sc(-c5cc[n+](C(=O)O)cc5)cc4CCCCCC)ccc2N3CCCCCC)c(OCCCCCC)c1,ClCCl,520.0
1216,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc(C#Cc3ccc(C=C(C#N)C#N)cc3)cc2)cc1,ClCCl,382.0
4662,CCCCCCSc1ccc(N(c2ccc(SCCCCCC)cc2)c2ccc(-c3sc(C4=C/C(=C5/C=C(c6sc(-c7ccc(C(=O)O)cc7)c(CCCCCC)c6CCCCCC)OC5=O)C(=O)O4)c(CCCCCC)c3CCCCCC)cc2)cc1,ClC(Cl)Cl,651.0
5876,CCCc1cc2c3[o+]c(CCC)c(CCC)c4cccc(c5cccc(c1CCC)c52)c43,ClCCl,608.0
9190,COc1ccc(-n2c(-c3ccc(-c4cncc5ccccc45)cc3)nc3c4ccccc4c4ccccc4c32)cc1,C1CCOC1,365.0
4347,CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(OCCCCCC)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,516.0
4350,CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4-c3ccc(OCCCCCC)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,516.0
3164,CCCCCCCCCCCCOc1cc2c3c(ccc4c5c(N6CCOCC6)cc6c7c(ccc(c1c34)c75)C(=O)N(C1CCCCC1)C6=O)C(=O)N(C1CCCCC1)C2=O,ClC(Cl)Cl,606.0
4943,CCCCCCc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(C(=O)O)cc4)c4c(C)cc(C)n4[B-]3(C#CCOCCOC)C#CCOCCOC)C(C)=C2)s1,C1CCOC1,666.0
10928,Cc1ccc(-c2c3nc(c(-c4ccco4)c4ccc(s4)c(-c4ccco4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,442.0
1491,CC(C)c1cccc(C(C)C)c1-n1c(=O)c2ccc3c4ccc5c(=O)n(-c6c(C(C)C)cccc6C(C)C)c(=O)c6cc7c(-c8ccccc8)nc8cc(c1=O)c2c3c8c7c4c56,ClC(Cl)Cl,476.0
3404,CCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc(C(=O)O)c5c(C(=O)O)cc(Oc6ccc(C(C)(C)C)cc6)c(c6c(Oc7ccc(C(C)(C)C)cc7)cc(c2c36)C1=O)c54,ClCCl,537.0
4072,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)Sc5cc(/C=C(\C#N)C(=O)O)ccc5N6CCCCCC)cc4)c4ccc(-c5ccc6c(c5)Sc5cc(/C=C(\C#N)C(=O)O)ccc5N6CCCCCC)cc4)cc3)ccc21,ClCCl,467.0
6435,CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,C1CCOC1,336.0
6435,CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,CC#N,336.0
6435,CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,CN(C)C=O,336.0
6435,CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,ClCCl,334.0
6435,CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,c1ccccc1,336.0
10304,Cc1c(C(=O)c2ccc3ccc4cccc5ccc2c3c45)c2ccc3cccc4c5cccc6ccc1c(c65)c2c34,ClCCl,391.0
7112,CCn1c(-c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc(-c2cccc3ccccc23)cc1,CCOC(C)=O,292.0
4855,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1cc(CCCCCC)c(-c2cc(CCCCCC)c(-c3cc4cc(-c5ccccc5)c5c6ccccc6n(CC)c5c4s3)s2)s1,ClC(Cl)Cl,464.0
2707,CCCCC(CC)Cn1c2cc(-c3ccc(/C=c4\sc(=C(C#N)C#N)[nH]c4=O)o3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,476.0
5534,CCCC[C@@H](CC)Cn1c2cc(-c3ccc(/C=c4\sc(=C(C#N)C#N)[nH]c4=O)o3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,476.0
14634,Oc1ccc(Br)cc1-c1nc2ncccc2o1,CO,341.0
5963,CCN(CC)c1ccc(-c2nc3ncccc3o2)c(O)c1,CO,379.0
9159,COc1ccc(-c2nc3ncccc3o2)c(O)c1,CO,332.0
9651,COc1ccc(O)c(-c2nc3ncccc3o2)c1,CO,362.0
14698,Oc1ccccc1-c1nc2ncccc2o1,CO,328.0
11143,Cc1ccc(C2=C3C=CC(N4CCOCC4)=[N+]3[B-](F)(F)n3c2ccc3-n2cnc3ccccc32)cc1,ClCCl,484.0
4588,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3SC4C(SC5C6SC(c7sc(/C=C(\C#N)C(=O)O)cc7CCCCCC)CC6N(c6ccc(OCCCCCC)cc6)C45)C3CCCCCC)cc2)cc1,ClCCl,511.0
3677,CCCCCCCCOc1nc(-c2ccc(-c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)s3)s2)cc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c1C#N,ClCCl,475.0
12460,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)cc2)cc1)C(=O)O,ClCCl,393.0
5141,CCCCCCn1cc(/C=C(/C#N)C(=O)O)c2cc(-c3ccc(N(c4cc#ccc4)c4ccccc4)cc3)ccc21,ClC(Cl)Cl,404.0
5341,CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c(=O)n6c(c7cc(Oc8ccc(C(C)(C)C)cc8)c(c8c(Oc9ccc(C(C)(C)C)cc9)cc(c2c38)C1=O)c4c57)=Cc1cccc[n+]1[B-]6(F)F,ClCCl,624.0
14905,c1cc2ccc3sc4ccc5cccc6c(c1)c2c3c4c56,ClC(Cl)Cl,412.0
8431,COC(=O)c1ccn2c(NC3CCCCC3)c(/C(C)=C/c3ccccc3)nc2c1,CS(C)=O,392.0
8432,COC(=O)c1ccn2c(NC3CCCCC3)c(/C=C/c3ccc(N(C)C)cc3)nc2c1,CS(C)=O,434.0
8433,COC(=O)c1ccn2c(NC3CCCCC3)c(/C=C/c3ccc(OC)cc3)nc2c1,CS(C)=O,414.0
5061,CCCCCCn1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)o3)cc2c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,442.0
5559,CCCC[C@H](CC)COc1ccc(-n2c(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)cc4)cc3)cc3c2cc(-c2ccc(-c4ccc(C[C@@H](CC)CCCC)cc4)cc2)n3-c2ccc(OC[C@@H](CC)CCCC)cc2)cc1,ClCCl,406.0
5877,CCCc1cc2c3c(NC)ncnc3cc(CCC)n2n1,ClCCl,325.0
8301,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N4CCN(C)CC4)cc3)sc12,CC#N,418.0
8301,COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N4CCN(C)CC4)cc3)sc12,ClCCl,420.0
5681,CCCCn1c2cc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(/C=C(\C#N)C(=O)O)ccc4-5)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,420.0
5682,CCCCn1c2cc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(C=O)ccc4-5)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,411.0
4751,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)Sc3ccccc3N4c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3nsnc23)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,422.0
2444,CCC1=C(C)C2=C(c3ccc(N(c4ccc(C5=C6C(C)=C(CC)C(C)=[N+]6[B-](F)(F)n6c(C)c(CC)c(C)c65)cc4)c4ccc(-c5ccc(C(=O)O)cc5)cc4)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,526.0
6556,CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1cccs1,CS(C)=O,365.0
12887,N#CC1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1cccs1,CS(C)=O,354.0
12289,N#C/C(=C/c1ccc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N3c5ccccc5C=Cc5ccccc53)=C3/C=CC(=N3)/C=4c3ccccc3)/C(c3ccccc3)=C3/C=CC2=N3)cc1)C(=O)O,ClCCl,422.0
7137,CCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2nc3cc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc3nc21,CN(C)C=O,359.0
12112,F[B-]1(F)n2c(ccc2-n2cccn2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C2C=CC(n3cccn3)=[N+]21,ClCCl,571.0
12113,F[B-]1(F)n2c(ccc2-n2cccn2)C(c2ccccc2)=C2C=CC(n3cccn3)=[N+]21,ClCCl,560.0
11155,Cc1ccc(C2=C3C=CC(n4cc(Cl)cn4)=[N+]3[B-](F)(F)n3c2ccc3-n2cc(Cl)cn2)cc1,ClCCl,562.0
11156,Cc1ccc(C2=C3C=CC(n4cc(I)cn4)=[N+]3[B-](F)(F)n3c2ccc3-n2cc(I)cn2)cc1,ClCCl,565.0
11157,Cc1ccc(C2=C3C=CC(n4cccn4)=[N+]3[B-](F)(F)n3c2cc(Br)c3-n2cccn2)cc1,ClCCl,540.0
11158,Cc1ccc(C2=C3C=CC(n4cccn4)=[N+]3[B-](F)(F)n3c2ccc3-n2cccn2)cc1,ClCCl,559.0
13145,N#Cc1ccc(C2=C3C=CC(n4cccn4)=[N+]3[B-](F)(F)n3c2ccc3-n2cccn2)cc1,ClCCl,568.0
6673,CCOC(=O)c1c(/N=C/c2ccc(-c3cccs3)s2)sc(/N=C/c2ccc(-c3cccs3)s2)c1C(=O)OCC,CC#N,492.0
4561,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc5c(c4)C(=C(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)c4cc(-c6cc(CCCCCC)c(C=C(C#N)C(=O)O)s6)ccc4-5)cc3CCCCCC)cc2)cc1,ClCCl,452.0
4562,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc5c(c4)C(=C(c4ccc(C)cc4)c4ccc(C)cc4)c4cc(-c6cc(CCCCCC)c(C=C(C#N)C(=O)O)s6)ccc4-5)cc3CCCCCC)cc2)cc1,ClCCl,465.0
4563,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc5c(c4)C(=C(c4ccc(SC)cc4)c4ccc(SC)cc4)c4cc(-c6cc(CCCCCC)c(C=C(C#N)C(=O)O)s6)ccc4-5)cc3CCCCCC)cc2)cc1,ClCCl,459.0
7587,CN(C)c1ccc(C2=Nc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3[B-](F)(F)O2)cc1,ClCCl,417.0
7587,CN(C)c1ccc(C2=Nc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3[B-](F)(F)O2)cc1,C1CCOC1,412.0
7587,CN(C)c1ccc(C2=Nc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3[B-](F)(F)O2)cc1,CC#N,411.0
7587,CN(C)c1ccc(C2=Nc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,415.0
7588,CN(C)c1ccc(C2=Nc3scc(-c4ccccc4)[n+]3[B-](F)(F)O2)cc1,C1CCOC1,406.0
7588,CN(C)c1ccc(C2=Nc3scc(-c4ccccc4)[n+]3[B-](F)(F)O2)cc1,CC#N,406.0
7588,CN(C)c1ccc(C2=Nc3scc(-c4ccccc4)[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,409.0
7588,CN(C)c1ccc(C2=Nc3scc(-c4ccccc4)[n+]3[B-](F)(F)O2)cc1,ClCCl,411.0
7585,CN(C)c1ccc(C2=Nc3scc(-c4ccc(C#N)cc4)[n+]3[B-](F)(F)O2)cc1,C1CCOC1,411.0
7585,CN(C)c1ccc(C2=Nc3scc(-c4ccc(C#N)cc4)[n+]3[B-](F)(F)O2)cc1,CC#N,411.0
7585,CN(C)c1ccc(C2=Nc3scc(-c4ccc(C#N)cc4)[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,414.0
7585,CN(C)c1ccc(C2=Nc3scc(-c4ccc(C#N)cc4)[n+]3[B-](F)(F)O2)cc1,ClCCl,415.0
7586,CN(C)c1ccc(C2=Nc3scc(-c4ccc(N(C)C)cc4)[n+]3[B-](F)(F)O2)cc1,C1CCOC1,406.0
7586,CN(C)c1ccc(C2=Nc3scc(-c4ccc(N(C)C)cc4)[n+]3[B-](F)(F)O2)cc1,CC#N,409.0
7586,CN(C)c1ccc(C2=Nc3scc(-c4ccc(N(C)C)cc4)[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,405.0
7586,CN(C)c1ccc(C2=Nc3scc(-c4ccc(N(C)C)cc4)[n+]3[B-](F)(F)O2)cc1,ClCCl,411.0
8025,CN1CCc2cc(C3=Cc4cccc[n+]4[B-](F)(F)O3)ccc21,ClC(Cl)Cl,430.0
14070,O=C1c2ccccc2-c2nc3c4ccccc4c4ccccc4c3n21,ClCCl,441.0
5736,CCCCn1c2ccc(C#Cc3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2c2nc3ccccc3nc21,C1CCOC1,435.0
10851,Cc1cc2c3ccccc3sc2c2[nH]c3ccccc3c12,ClCCl,320.0
7321,CN(C)c1ccc(-c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,C1CCCCC1,333.0
7321,CN(C)c1ccc(-c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,CC#N,336.0
7321,CN(C)c1ccc(-c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,CO,336.0
7321,CN(C)c1ccc(-c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,ClC(Cl)Cl,348.0
6498,CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)n1nnc2ccccc21,CO,390.0
6500,CCOC(=O)/C(=C/c1ccc(N(CC)CC)cc1)n1nnc2ccccc21,CO,398.0
14456,O=c1c2cc(F)c(N3CCCCC3)cc2sc2cc(N3CCCCC3)c(F)cc12,CCO,377.0
12268,N#C/C(=C/c1ccc(-c2cc(C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)c(-c3ccc(/C=C(/C#N)C(=O)O)cc3)s2)cc1)C(=O)O,CN(C)C=O,450.0
7387,CN(C)c1ccc(-n2c(-c3ccncc3)nc3ccccc32)cc1,CC#N,299.0
11430,Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(N3c4ccc(C)cc4C(C)(C)c4cc(C)ccc43)ccc1S2(=O)=O,ClCCl,370.0
10836,Cc1cc2c(cc1N1c3ccccc3C(C)(C)c3ccccc31)C(C)(C)c1cc(N3c4ccccc4C(C)(C)c4ccccc43)c(C)cc1S2(=O)=O,ClCCl,359.0
1891,CC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2S3(=O)=O)c2ccccc21,Cc1ccccc1,361.4035088
1891,CC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2S3(=O)=O)c2ccccc21,ClCCl,365.0
15285,c1ccc(N(c2ccccc2)c2ccc(-c3ncc(-c4cnc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)cc2)cc1,CO,422.0
1255,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(-n5c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6c6cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc65)cc4c4cc(-n5c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6c6cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc65)ccc43)ccc1n2-c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,413.0
2596,CCCCC(CC)CN1C(=O)c2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)CC(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)OC5=O,ClCCl,590.0
3406,CCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)OC5=O,ClCCl,578.0
243,C(=C/c1ccc(N2CCOCC2)c2nsnc12)\c1ccncc1,ClCCl,454.0
2565,CCCCC(CC)CN1C(=O)/C(=C2/C(=O)N(CC(CC)CCCC)C3C=C(c4ccc(/C=C(/C#N)C(=O)O)s4)C=CC23)c2ccc(-c3ccc(-c4ccc(N(c5ccc(N6c7ccccc7C=C(OC)c7ccccc76)cc5)c5ccc(N6c7ccccc7C=C(OC)c7ccccc76)cc5)cc4)s3)cc21,ClC(Cl)Cl,616.0
11670,Cc1nc2c(cc3c4c(cccc42)C(=O)OC3=O)o1,CCO,360.0
245,C(=C/c1ccc2ccccc2[nH+]1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,509.0
811,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1cccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)c1,C1CCOC1,535.5
811,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1cccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)c1,CC#N,530.0
10222,C[Si]1(C)O[Si](C)(C)c2cc3cc4c(cc3cc21)C(=O)c1cc2cc3c(cc2cc1C4=O)[Si](C)(C)O[Si]3(C)C,ClC(Cl)Cl,417.0
12725,N#CC(=Cc1ccc(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1)C(=O)O,C1CCOC1,498.0
173,C(#Cc1ncnc2ccccc12)c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,411.0
9405,COc1ccc(C2=C(c3ccc(OC)cc3)C3(c4ccccc42)c2ccccc2-c2ccccc23)cc1,C1CCCCC1,314.0
1734,CC1(C)c2cc(/C=C/c3nc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,429.0
12085,F[B-]1(F)n2c(c3c(c2-c2ccccc2)C2C=CC3CC2)C(c2ccccc2)=C2C3=C(C(c4ccccc4)=[N+]21)C1C=CC3CC1,ClCCl,558.0
9978,COc1ccccc1C1=[N+]2C(=C(c3ccccc3)c3c4c(c(-c5ccccc5OC)n3[B-]2(F)F)C2C=CC4CC2)C2=C1C1C=CC2CC1,ClCCl,556.0
5389,CCCCN1c2ccccc2Sc2cc(-c3ccc(-c4cc5c(s4)c4sc(/C=C(/C#N)C(=O)O)cc4n5-c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)s3)ccc21,C1CCOC1,493.0
5390,CCCCN1c2ccccc2Sc2cc(-c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5-c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)s3)ccc21,C1CCOC1,493.0
3020,CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3N4c3ccc4c(c3)sc3c5ccc(-c6cc(C)c(C=C(C#N)C(=O)O)s6)cc5sc43)cc21,ClC(Cl)Cl,420.0
13672,O=C(O)c1cc(C(=O)O)cc(-c2nc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)nc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)n2)c1,CN(C)C=O,463.0
13704,O=C(O)c1ccc(-c2nc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)nc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)n2)cc1,CN(C)C=O,465.0
14163,O=P(c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,411.0
3329,CCCCCCCCCN(/N=C/c1ccc(N(c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)c2ccc(CCCCCC)cc2)cc1)c1ccccc1,ClC(Cl)Cl,500.0
3330,CCCCCCCCCN(/N=C/c1ccc(N(c2ccc(C)cc2)c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)cc1)c1ccccc1,ClC(Cl)Cl,493.0
470,C1=Nc2cccc3cccc(c23)N1,CC#N,329.0
470,C1=Nc2cccc3cccc(c23)N1,CO,329.0
470,C1=Nc2cccc3cccc(c23)N1,CS(C)=O,333.0
470,C1=Nc2cccc3cccc(c23)N1,Cc1ccccc1,331.0
4040,CCCCCCN1c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,463.0
1774,CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)c3cc21,CN(C)C=O,393.0
47,Brc1ccc2c(c1)C=C1B(N2)OB2Nc3ccc(Br)cc3C=C2C(c2ccccc2)=C1c1ccccc1,ClCCl,420.0
5305,CCCCN1B2OB3C(=Cc4ccccc4N3CCCC)C(c3ccccc3)=C(c3ccccc3)C2=Cc2ccccc21,ClCCl,418.0
408,C1=C2B(Nc3ccccc31)OB1Nc3ccccc3C=C1C(c1ccccc1)=C2c1ccccc1,ClCCl,413.0
9406,COc1ccc(C2=C(c3ccc(OC)cc3)C3=Cc4ccccc4NB3OB3Nc4ccccc4C=C32)cc1,ClCCl,413.0
11535,Cc1cccc(C2=C(c3cccc(C)c3)C3=Cc4ccccc4NB3OB3Nc4ccccc4C=C32)c1,ClCCl,413.0
11771,Clc1ccc(C2=C(c3ccc(Cl)cc3)C3=Cc4ccccc4NB3OB3Nc4ccccc4C=C32)cc1,ClCCl,413.0
11124,Cc1ccc(C2=C(c3ccc(C)cc3)C3=Cc4ccccc4NB3OB3Nc4ccccc4C=C32)cc1,ClCCl,412.0
12209,Fc1ccc(C2=C(c3ccc(F)cc3)C3=Cc4ccccc4NB3OB3Nc4ccccc4C=C32)cc1,ClCCl,413.0
9394,COc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C3=Cc4ccccc4NB3OB3Nc4ccccc4C=C32)cc1,ClCCl,413.0
7550,CN(C)c1ccc(C2=C(C#N)C(NCCN)=NC23C(C#N)=C(N)Oc2ccccc23)cc1,C1CCOC1,403.0
7550,CN(C)c1ccc(C2=C(C#N)C(NCCN)=NC23C(C#N)=C(N)Oc2ccccc23)cc1,CS(C)=O,415.0
7551,CN(C)c1ccc(C2=C(C#N)C(NCCO)=NC23C(C#N)=C(N)Oc2ccccc23)cc1,C1CCOC1,405.0
7551,CN(C)c1ccc(C2=C(C#N)C(NCCO)=NC23C(C#N)=C(N)Oc2ccccc23)cc1,CS(C)=O,414.0
7552,CN(C)c1ccc(C2=C(C#N)C(OCC(O)CO)=NC23C(C#N)=C(N)Oc2ccccc23)cc1,C1CCOC1,413.0
7552,CN(C)c1ccc(C2=C(C#N)C(OCC(O)CO)=NC23C(C#N)=C(N)Oc2ccccc23)cc1,CS(C)=O,427.0
8502,COCCOCCOC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,C1CCOC1,411.0
8502,COCCOCCOC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,CS(C)=O,427.0
8472,COC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,C1CCOC1,412.0
8472,COC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,CS(C)=O,427.0
8510,COCCOCCOCCOC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,C1CCOC1,411.0
8510,COCCOCCOCCOC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,CS(C)=O,428.0
6861,CCOC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,C1CCOC1,411.0
6861,CCOC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,CS(C)=O,427.0
14234,O=S(=O)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1,Cc1ccccc1,332.0
2422,CCC1=C(C)C2=C(/C=C/c3ccc([N+](=O)[O-])cc3)c3c(C)c(CC)c(/C=C/c4ccc(OC)cc4)n3[B-](F)(F)[N+]2=C1/C=C/c1ccc(OC)cc1,ClCCl,666.0
3407,CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5c6c(cc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,551.0
2599,CCCCC(CC)CN1C(=O)c2ccc3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5c6c(cc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(CC)CCCC)C5=O,ClC(Cl)Cl,567.0
8998,COc1ccc(-c2cc3c(ccc4sc5ccc6sc(-c7ccc(C#N)cc7)cc6c5c43)s2)cc1,ClCCl,383.0
8999,COc1ccc(-c2cc3c(ccc4sc5ccc6sc(-c7ccc(C(C)=O)cc7)cc6c5c43)s2)cc1,ClCCl,380.0
14999,c1ccc(-c2ccc3c(c2)c2ccccc2n2c4ccccc4nc32)cc1,CC#N,338.0
5053,CCCCCCn1c2cc(C=C(C#N)C(=O)O)ccc2c2ccc(-c3ccc4c(c3)c3cc(C(C)(C)C)ccc3n4-c3ccc(C(C)(C)C)cc3)cc21,ClCCl,423.0
233,C(=C/c1ccc(/C=C/c2ccncc2)c2nsnc12)\c1ccncc1,ClCCl,428.0
3511,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(-c6ccc(CCCCCC)cc6)c6sc(-c7ccc(-c8ccc(C(=O)O)cc8)c8nsnc78)cc6c(-c6ccc(CCCCCC)cc6)c5s4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(OCCCCCCCC)c1,ClCCl,487.0
8330,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)n1,ClC(Cl)Cl,387.99
12891,N#CC1=CC(/C=C/c2ccccc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1,ClC(Cl)Cl,506.0
2453,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccccc3)(Oc3ccccc3-4)[N+]2=C1C,ClCCl,627.0
2450,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc(OC)cc3)(Oc3ccccc3-4)[N+]2=C1C,CC#N,621.0
2450,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc(OC)cc3)(Oc3ccccc3-4)[N+]2=C1C,CCCCCC,625.0
2450,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc(OC)cc3)(Oc3ccccc3-4)[N+]2=C1C,Cc1ccccc1,629.0
2450,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc(OC)cc3)(Oc3ccccc3-4)[N+]2=C1C,ClCCl,627.0
2453,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccccc3)(Oc3ccccc3-4)[N+]2=C1C,CC#N,621.0
2453,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccccc3)(Oc3ccccc3-4)[N+]2=C1C,CCCCCC,625.0
2453,CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccccc3)(Oc3ccccc3-4)[N+]2=C1C,Cc1ccccc1,629.0
15236,c1ccc(C[n+]2ccc(-c3nc4sc(-c5cc[n+](Cc6ccccc6)cc5)nc4s3)cc2)cc1,O,395.0
3266,CCCCCCCCCCCCn1c2c(c3ccccc31)C(Cc1c(OCC)c(=O)c1=O)C=CN2C,CC#N,515.0
9604,COc1ccc(N(c2ccc(OC)cc2)c2ccc(/C3=c4\cc/c5n4[Zn]n4c(ccc4/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4/C=CC3=N4)/C(C#Cc3ccc(C(=O)O)cc3)=C3/C=CC(=N3)/C=5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1,CCO,628.0
6844,CCOC(=O)c1sc(-c2ccc(-c3cc(C4CC4)c(C(=O)OCC)s3)s2)cc1C1CC1,ClCCl,395.0
4655,CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(C#Cc4ccc(/C=C(\C#N)C(=O)O)cc4)ccc23)S1,CN(C)C=O,455.0
15286,c1ccc(N(c2ccccc2)c2ccc(-c3ncnc4ccccc34)cc2)cc1,ClCCl,380.0
7514,CN(C)c1ccc(C#Cc2ccc3c4c(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)c(c7cccc2c73)c64)C(=O)OC5=O)cc1,ClCCl,568.0
5764,CCCCn1c2ccccc2c2cc(/C=C/c3ccc(/C=C/c4ccncc4)c4nsnc34)ccc21,ClCCl,482.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CC#N,380.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CC(C)=O,379.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CC(C)O,390.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CCCCCC,357.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CCCCO,392.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CCCO,394.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CCO,390.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CCOC(C)=O,370.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CCOCC,365.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CN(C)C=O,383.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CO,391.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,CS(C)=O,383.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,Cc1ccccc1,373.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,ClC(Cl)(Cl)Cl,370.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,ClC(Cl)Cl,383.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,ClCCl,383.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,S=C=S,387.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,c1ccccc1,380.0
7470,CN(C)c1ccc(/C=C2\CCCC2=O)cc1,c1ccncc1,384.0
2789,CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc6c7c(cccc57)C(=O)N(c5ccc7c(c5)c5ccccc5n7CC)C6=O)cc43)cc21,ClCCl,481.0
13057,N#Cc1cc(N2c3ccccc3Sc3ccccc32)cc(N2c3ccccc3Sc3ccccc32)c1,Cc1ccccc1,343.0
5074,CCCCCCn1c2ccc(/C=C(\C#N)c3ccc(C=C(C(=O)O)C(=O)O)s3)cc2c2cc(/C=C(\C#N)c3ccc(C=C(C(=O)O)C(=O)O)s3)ccc21,CN(C)C=O,537.0
11673,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(-n4c5ccccc5c5ccccc54)cc2)[n+]3C)s1,CO,446.0
11673,Cc1nc2c(ccc3c2sc(/C=C/c2ccc(-n4c5ccccc5c5ccccc54)cc2)[n+]3C)s1,ClC(Cl)Cl,488.0
4797,CCCCCCc1cc(-c2ccc3c(c2)Sc2cc(-c4cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s4)ccc2N3c2c(OC[C@@H](CC)CCCC)cccc2OC[C@@H](CC)CCCC)sc1/C=C(/C#N)C(=O)O,C1CCOC1,518.0
4956,CCCCCCc1ccc(N2c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3Sc3cc(-c4ccc(/C=C(/C#N)C(=O)O)s4)ccc32)cc1,CN(C)C=O,445.0
4957,CCCCCCc1ccc(N2c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3Sc3cc(-c4ccc(C=C(C#N)C(=O)O)s4)ccc32)cc1,CN(C)C=O,445.0
4630,CCCCCCOc1cccc(OCCCCCC)c1N1c2ccc(-c3cc(CCCCCC)c(/C=C(/C#N)C(=O)O)s3)cc2Sc2cc(-c3cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,516.0
4631,CCCCCCOc1cccc(OCCCCCC)c1N1c2ccc(-c3cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,516.0
2511,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClCCl,423.0
2511,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,C1CCOC1,415.0
2511,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,CC#N,410.0
2511,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,CN(C)C=O,408.0
2511,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,Cc1ccccc1,425.0
2511,CCCC1(CCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)nc(-c4ccc5c(c4)C(CCC)(CCC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)n3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClC(Cl)Cl,425.0
14449,O=c1c2cc(-n3c4ccccc4c4ccccc43)ccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,C1CCOC1,408.0
14449,O=c1c2cc(-n3c4ccccc4c4ccccc43)ccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,CCCCCC,408.0
14449,O=c1c2cc(-n3c4ccccc4c4ccccc43)ccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,Cc1ccccc1,408.0
14449,O=c1c2cc(-n3c4ccccc4c4ccccc43)ccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,ClC(Cl)Cl,408.0
14449,O=c1c2cc(-n3c4ccccc4c4ccccc43)ccc2sc2ccc(-n3c4ccccc4c4ccccc43)cc12,ClCCl,408.0
6947,CC[N+](CC)=C1C=CC(=C2C=C(c3ccccc3C(=O)O)c3cc4c5c(c3O2)CCCN5CCC4)C=C1,O,612.0
7657,CN(C)c1ccc2c(-c3ccc4c(c3)OCO4)c3ccc(=[NH2+])cc-3n(C)c2c1,O,485.0
3668,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc3c(c2)Sc2cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc2N3CCCCCCCC)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(-c2ccc(C(=O)O)cc2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,435.0
417,C1=C2C3=C(C4=[N+]2[B-]2(Oc5ccccc54)Oc4ccccc4-c4c5c(c1n42)C1CCC5CC1)C1CCC3CC1,ClCCl,626.0
4620,CCCCCCOc1ccc2c(c1)C1(c3cc(OCCCCCC)ccc3-2)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc5c(c4)N(c4ccc(C)cc4)C4CCCC54)c4nsnc34)cc21,ClCCl,564.0
5929,CCN(CC)c1cc2oc3cc(N(CC)CC)c(F)cc3c(=O)c2cc1F,CCO,389.0
5930,CCN(CC)c1cc2oc3cc(O)c(F)cc3c(=O)c2cc1F,CCO,379.0
7291,CN(C)c1cc2oc3cc(N(C)C)c(F)cc3c(=O)c2cc1F,CCO,378.0
13316,Nc1cc2oc3cc(O)c(F)cc3c(=O)c2cc1F,CCO,366.0
1383,CC(C)Nc1cc2oc3cc(NC(C)C)c(F)cc3c(=O)c2cc1F,CCO,370.0
14462,O=c1c2cc(F)c(O)cc2oc2cc(O)c(F)cc12,CCO,369.0
845,CC(C)(C)Nc1cc2oc3cc(NC(C)(C)C)c(F)cc3c(=O)c2cc1F,CCO,368.0
3967,CCCCCCN1C(=O)C2=C(c3ccc4c(c3)Sc3ccccc3N4CCCCCC)N(CCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1,ClCCl,526.0
4498,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)cc5)c(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)cc5)n4CCCCCC)s3)cc2)cc1,C1CCOC1,400.0
4497,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)cc5)c(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)cc5)n4CCCCCC)s3)cc2)cc1,ClCCl,512.0
9133,COc1ccc(-c2nc3c(-c4ccc(C=C(C#N)C(=O)O)o4)cnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc2-c2ccc(OC)cc2)cc1,ClCCl,497.0
220,C(=C/c1ccc(-c2cccc3ccccc23)s1)\c1ccc(-c2cccc3ccccc23)s1,ClCCl,388.0
10208,C[Si](c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1,ClCCl,307.0
11161,Cc1ccc(C2=C3C=CC(n4cncn4)=[N+]3[B-](F)(F)n3c2ccc3-n2cncn2)cc1,ClCCl,540.0
14097,O=CC1=Cc2c(-c3ccc(-c4ccccc4)cc3)oc(-c3ccc(-c4ccccc4)cc3)c2C=C(C=O)C1,ClC(Cl)Cl,382.0
6446,CCN1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2CCc2cc(C=C3SC(=S)N(CC(=O)O)C3=O)ccc21,CN(C)C=O,445.0
6437,CCN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2CCc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc21,CN(C)C=O,445.0
15528,c1cnc(-c2c3ccccc3c(-c3cncnc3)c3ccccc23)nc1,CCO,391.0
15528,c1cnc(-c2c3ccccc3c(-c3cncnc3)c3ccccc23)nc1,ClCCl,394.0
11239,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(-c4ccc(C#N)nc4)c4nsnc34)cc2)cc1,ClCCl,519.0
3562,CCCCCCCCOc1ccc(N(c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3N4CCCCCCCC)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,C1CCOC1,475.0
12926,N#Cc1c(-c2ccccc2)cc(N2c3ccccc3Oc3ccccc32)cc1-c1ccccc1,C1CCCCC1,398.0
15032,c1ccc(-c2nc(-c3ccc(-c4cccs4)s3)[nH]c2-c2ccccc2)cc1,CC#N,365.0
8042,CN1c2ccc(C(=O)c3ccccc3)cc2Sc2cc(C(=O)c3ccccc3)ccc21,C1CCCCC1,390.0
8042,CN1c2ccc(C(=O)c3ccccc3)cc2Sc2cc(C(=O)c3ccccc3)ccc21,C1CCOC1,402.0
8042,CN1c2ccc(C(=O)c3ccccc3)cc2Sc2cc(C(=O)c3ccccc3)ccc21,CN(C)C=O,407.0
8042,CN1c2ccc(C(=O)c3ccccc3)cc2Sc2cc(C(=O)c3ccccc3)ccc21,Cc1ccccc1,405.0
8042,CN1c2ccc(C(=O)c3ccccc3)cc2Sc2cc(C(=O)c3ccccc3)ccc21,ClC(Cl)Cl,407.0
8042,CN1c2ccc(C(=O)c3ccccc3)cc2Sc2cc(C(=O)c3ccccc3)ccc21,ClCCl,408.0
7120,CCn1c(-c2ccc3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc(-c2ccccc2)c1-c1ccccc1,C1CCOC1,425.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,368.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1COCCO1,369.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CC#N,367.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCCC,366.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCOCCCC,367.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCN(CC)CC,367.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOC(C)=O,367.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOCC,366.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CN(C)C=O,369.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,369.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClC=C(Cl)Cl,370.0
1035,CC(C)(C)c1ccc(-c2nc3c4ccc(-c5c6ccccc6cc6ccccc56)cc4c4cc(-c5c6ccccc6cc6ccccc56)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClCCl,370.0
15240,c1ccc(Cc2nn(-c3ccccc3)nc2-c2ccccc2)cc1,CO,290.0
1538,CC(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1,CO,285.0
13845,O=C(c1ccc2ccccc2c1)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,364.0
457,C1=Cc2ccccc2C(=Cc2ccc(-c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc21,C1CCOC1,357.0
3626,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)c3nsnc23)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,669.0
2937,CCCCCCC1CC(C)(CCCCCC)N(C)c2cc(OC)c(/C=C(/C#N)C(=O)O)cc21,ClCCl,435.0
3870,CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc(-c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(CC)CC)s3)c2n1,C1CCOC1,465.0
10634,Cc1cc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)no1,CS(C)=O,431.0
15292,c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1,ClCCl,407.0
15292,c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1,O,394.0
15292,c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1,CC#N,401.0
15292,c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1,CO,401.0
7108,CCn1c(-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1,CCOC(C)=O,320.0
10172,C[Si](C)(C)[Si](c1cc2sc([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)cc2s1)([Si](C)(C)C)[Si](C)(C)C,ClCCl,309.0
14911,c1cc2sccc2s1,ClCCl,270.0
2700,CCCCC(CC)Cn1c(C=C(C#N)C(=O)O)ccc1/C=N/N(c1ccccc1)c1ccccc1,C1CCOC1,469.0
3039,CCCCCCCCCCC1(CCCCCCCC)/C(=C/C2=C([O-])/C(=C\C3=[N+](C)c4ccccc4C3(C)C)C2=O)N(CCCCCC)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc21,ClC(Cl)Cl,667.0
3044,CCCCCCCCCCC1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3\N(C)c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4C3(C)C)=C2[O-])=[N+](CCCCCC)c2ccccc21,ClC(Cl)Cl,665.0
3301,CCCCCCCCCC[C@@]1(CCCCCCCC)/C(=C\C2=C([O-])/C(=C\C3=[N+](C)c4ccccc4C3(C)C)C2=O)N(CCCCCC)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClC(Cl)Cl,667.0
3121,CCCCCCCCCCCCN1/C(=C\C2=C([O-])/C(=C/C3=[N+](CC)c4ccccc4C3(C)C)C2=O)C(C)(C)c2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,CCO,659.0
3303,CCCCCCCCCC[C@@]1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3/N(C)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4C3(C)C)=C2[O-])=[N+](CCCCCC)c2ccccc21,ClC(Cl)Cl,665.0
3233,CCCCCCCCCCCC[N+]1=C(/C=C2/C(=O)C(/C=C3\N(C)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4C3(C)C)=C2[O-])[C@@](CCCCCCCC)(CCCCCCCCCC)c2ccccc21,ClC(Cl)Cl,665.0
3234,CCCCCCCCCCCC[N+]1=C(/C=C2/C(=O)C(/C=C3\N(C)c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4C3(C)C)=C2[O-])C(CCCCCCCC)(CCCCCCCCCC)c2ccccc21,ClC(Cl)Cl,665.0
3236,CCCCCCCCCCCCN1/C(=C/C2=C([O-])/C(=C\C3=[N+](CC)c4ccccc4C3(C)C)C2=O)C(C)(C)c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc21,CCO,659.0
7983,CN1C(=CC=Cc2nc3nc4ccccc4nc3s2)C(C)(C)c2ccccc21,CO,530.0
9574,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C5\NC(=O)NC5=O)s4)c4nsnc34)cc2)cc1,ClC(Cl)Cl,515.0
13960,O=C1NC(=O)C(=Cc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nsnc34)s2)N1,ClC(Cl)Cl,522.0
13958,O=C1NC(=O)/C(=C\c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nsnc34)s2)N1,ClC(Cl)Cl,522.0
9579,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(C=C5NC(=O)NC5=O)s4)c4nsnc34)cc2)cc1,ClC(Cl)Cl,515.0
12702,N#CC(=Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2N3c2ccccc2)s1)C(=O)O,C1CCOC1,452.0
3679,CCCCCCCCSC1=C(SCCCCCCCC)SC(=Cc2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)ccc3N4CCCC)cc2)S1,C1CCOC1,431.0
3765,CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)c2ccc(-c3ccc(C4=C5C(=O)N(CCCCCCCC)C(c6ccc(-c7cc(B(c8c(C)cc(C)cc8C)c8c(C)cc(C)cc8C)c(-c8ncc(C=C(C(=O)O)C(=O)O)s8)s7)s6)=C5C(=O)N4CCCCCCCC)s3)cc2)cc1,C1CCOC1,640.0
7891,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cnccn3)cc2)cc1,CS(C)=O,431.0
7967,CN1C(=CC2=C([O-])C(=O)C2=C(C#N)C#N)Sc2ccccc21,CCO,481.0
4744,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)c3nsnc23)sc1-c1ccc(C=c2sc(=C(C#N)C#N)[nH]c2=O)s1,ClCCl,538.0
2344,CCC1(CC)c2cc(C#Cc3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,396.0
5376,CCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Oc2cc(/C=C(\C#N)C(=O)O)ccc21,C1CCOC1,498.0
3147,CCCCCCCCCCCCN1c2ccccc2Oc2cc(/C=C(\C#N)C(=O)O)ccc21,ClCCl,491.0
5388,CCCCN1c2ccccc2Oc2cc(/C=C(\C#N)C(=O)O)ccc21,C1CCOC1,464.0
3446,CCCCCCCCN1c2ccccc2Oc2cc(/C=C(\C#N)C(=O)O)ccc21,CCO,480.0
3446,CCCCCCCCN1c2ccccc2Oc2cc(/C=C(\C#N)C(=O)O)ccc21,ClCCl,491.0
4120,CCCCCCN1c2ccccc2Oc2cc(/C=C(\C#N)C(=O)O)ccc21,C1CCOC1,474.0
1799,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(C=C(C#N)C(=O)O)cc4[Si]5(C)c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,485.0
1443,CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(nc12)Cc1ccccc1-3)(C(C)C)C(C)C,CCCCCC,369.0
2639,CCCCC(CC)COc1cc(OCCC(CC)CCC)cc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)cc7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc4C5(CC(CC)CCCC)CC(CC)CCCC)cc3)c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)cc2)c1,ClCCl,545.0
2657,CCCCC(CC)COc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(-c6ccc(-c7ccc(C=C(C#N)C(=O)O)cc7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc4C5(CCC(CC)CCC)CC(CC)CCCC)cc3)c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)cc2)c(OCC(CC)CCCC)c1,ClCCl,545.0
2483,CCC1=[N+]2C(=C3c4cc(Br)c(CC)n4[B-](F)(F)[n+]4c3n(c3ccccc34)[B-]2(F)F)C=C1Br,ClCCl,621.0
2484,CCC1=[N+]2C(=C3c4cc(I)c(CC)n4[B-](C#CC(O)CO)(C#CC(O)CO)[n+]4c3n(c3ccccc34)[B-]2(C#CC(O)CO)C#CC(O)CO)C=C1I,ClCCl,592.0
2485,CCC1=[N+]2C(=C3c4cc(I)c(CC)n4[B-](F)(F)[n+]4c3n(c3ccccc34)[B-]2(F)F)C=C1I,ClCCl,634.0
2486,CCC1=[N+]2C(=C3c4ccc(CC)n4[B-](F)(F)[n+]4c3n(c3cc(F)ccc34)[B-]2(F)F)C=C1,ClCCl,600.0
568,CC#C[B-]1(C#CC)n2c3[n+](c4ccccc42)[B-](C#CC)(C#CC)n2c(cc(I)c2CC)C3=C2C=C(I)C(CC)=[N+]21,ClCCl,594.0
2487,CCC1=[N+]2C(=C3c4ccc(CC)n4[B-](F)(F)[n+]4c3n(c3cc(OC)ccc34)[B-]2(F)F)C=C1,ClCCl,599.0
2488,CCC1=[N+]2C(=C3c4ccc(CC)n4[B-](F)(F)[n+]4c3n(c3ccccc34)[B-]2(F)F)C=C1,ClCCl,598.0
2482,CCC1=[N+]2C(=C3c4c(Br)c(Br)c(CC)n4[B-](F)(F)[n+]4c3n(c3ccccc34)[B-]2(F)F)C=C1Br,ClCCl,615.0
11939,FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(Oc3ccccc3)C=C3c4cc(Oc5ccccc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(Oc7ccccc7)cc(c4c56)=C4C=C(Oc5ccccc5)C(=N1)C2C34,C1CCOC1,498.0
14619,Oc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1nc2ccccc2o1,Cc1ccccc1,320.0
7953,CN1C(=CC2=C([O-])C(=CC3=[N+](C)c4ccccc4C3(C)C)C2=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,675.0
2336,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,CCCO,360.0
2336,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,CCO,360.0
2336,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,Cc1ccccc1,363.0
2336,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,ClC(Cl)Cl,363.0
2336,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,C1CCOC1,362.0
2336,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,CC#N,359.0
2336,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,CC(C)=O,360.0
2336,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,CCCCCC,362.0
15201,c1ccc(C2(c3ccccc3)c3cc4c(cc3-c3sc5ccccc5c32)C(c2ccccc2)(c2ccccc2)c2c-4sc3ccccc23)cc1,C1CCOC1,394.0
10699,Cc1cc(C)c(B(c2ccc3c(c2)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2n3-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c2c(C)cc(C)cc2C)c(C)c1,C1CCOC1,358.0
2303,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,ClCCl,439.0
5813,CCCN1c2ccccc2Sc2cc(C#CC3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)ccc21,ClCCl,540.0
15251,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2)cc1,ClCCl,284.0
13816,O=C([O-])c1ccccc1-c1c2ccc(=[N+]3CCCCCC3)cc-2oc2cc(N3CCCCCC3)ccc12,O,560.0
2350,CCC1(CC)c2cc(C#Cc3cccs3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(C#Cc4cccs4)ccc2-3)C(CC)(CC)c2cc(C#Cc3cccs3)ccc2-1,C1CCOC1,362.0
835,CC(C)(C)NC1=CC2=c3cc(NC(C)(C)C)c4nc(C(F)(F)C(F)(F)C(F)(F)F)nc5c(NC(C)(C)C)cc(c3c54)C3=CC(NC(C)(C)C)=C4N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C1C4C32,C1CCOC1,646.0
11938,FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(Br)C=C3c4cc(Br)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(Br)cc(c4c56)=C4C=C(Br)C(=N1)C2C34,C1CCOC1,475.0
1388,CC(C)[Si](C#CC1=CC2=c3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c4nc(C(F)(F)C(F)(F)C(F)(F)F)nc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(c3c54)C3=CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C4N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C1C4C32)(C(C)C)C(C)C,C1CCOC1,516.0
10158,C[Si](C)(C)C#CC1=CC2=c3cc(C#C[Si](C)(C)C)c4nc(C(F)(F)C(F)(F)C(F)(F)F)nc5c(C#C[Si](C)(C)C)cc(c3c54)C3=CC(C#C[Si](C)(C)C)=C4N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C1C4C32,C1CCOC1,512.0
878,CC(C)(C)[Si](C)(C)C#CC1=CC2=c3cc(C#C[Si](C)(C)C(C)(C)C)c4nc(C(F)(F)C(F)(F)C(F)(F)F)nc5c(C#C[Si](C)(C)C(C)(C)C)cc(c3c54)C3=CC(C#C[Si](C)(C)C(C)(C)C)=C4N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C1C4C32,C1CCOC1,513.0
10589,Cc1cc(/C=C/c2ccccc2OCc2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
11314,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3C3CCCC32)cc1,ClCCl,529.0
11298,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,526.0
11299,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3[C@H]3CCC[C@H]32)cc1,ClCCl,510.0
4743,CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1C=C(C#N)C(=O)O,ClCCl,531.0
9136,COc1ccc(-c2nc3c(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c3nc2-c2ccc(OC)cc2)cc1,ClCCl,521.0
3538,CCCCCCCCOc1ccc(-c2nc3c(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c3nc2-c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,523.0
11288,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3C3CCCC32)cc1,ClCCl,531.0
11289,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3[C@H]3CCC[C@H]32)cc1,ClCCl,531.0
5348,CCCCN1C(=O)c2cccc3c(C#CC#Cc4ccc5c6c(cccc46)C(=O)N(CCCC)C5=O)ccc(c23)C1=O,ClCCl,372.0
6999,CC[NH+](CC)c1ccc(-c2nc3c4ccccc4n(C)c3nc2-c2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)cc1,C1CCOC1,382.2222222
5957,CCN(CC)c1ccc(-c2nc3c4ccccc4n(C)c3nc2-c2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)cc1,C1CCOC1,416.0
13839,O=C(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1cccc(C(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1,Cc1ccccc1,416.0
6080,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,555.0
6830,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CC#N,555.0
6830,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CCO,541.0
6830,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CN(C)C=O,560.0
6830,CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,O,552.0
6089,CCN(CC)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,555.0
6089,CCN(CC)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CCO,539.0
6089,CCN(CC)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CN(C)C=O,560.0
6089,CCN(CC)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,O,554.0
7628,CN(C)c1ccc2c(-c3cc(C(=O)O)ccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CO,540.0
7629,CN(C)c1ccc2c(-c3cc(C(=O)[O-])ccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CCO,538.0
7629,CN(C)c1ccc2c(-c3cc(C(=O)[O-])ccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,O,549.0
7630,CN(C)c1ccc2c(-c3cc(N)ccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CCO,542.0
7630,CN(C)c1ccc2c(-c3cc(N)ccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,O,544.0
7631,CN(C)c1ccc2c(-c3cc(N=C=S)ccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CO,541.0
7635,CN(C)c1ccc2c(-c3ccc(Br)cc3)c3ccc(=[N+](C)C)cc-3oc2c1,CCO,556.0
7638,CN(C)c1ccc2c(-c3ccc(C(=O)O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CO,542.0
7640,CN(C)c1ccc2c(-c3ccc(C(=O)[O-])cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CCO,540.0
7640,CN(C)c1ccc2c(-c3ccc(C(=O)[O-])cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,O,548.0
5452,CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CC#N,555.0
5452,CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CCO,543.0
5452,CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CN(C)C=O,562.0
5452,CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,O,558.0
7652,CN(C)c1ccc2c(-c3ccc(N)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CCO,533.0
7652,CN(C)c1ccc2c(-c3ccc(N)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,O,544.0
7654,CN(C)c1ccc2c(-c3ccc(N=C=S)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CO,543.0
7673,CN(C)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,O,548.0
7674,CN(C)c1ccc2c(-c3ccccc3S(=O)(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CO,550.0
6058,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,551.0
6058,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CCO,556.0
6058,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CN(C)C=O,554.0
6058,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,O,554.0
6059,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,548.0
6059,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CCO,552.0
6059,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CN(C)C=O,552.0
6059,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,O,562.0
1094,CC(C)(C)c1ccc(C2=CC(=Cc3sc(/C=C(\C#N)C(=O)O)c4c3OCCO4)C=C(c3ccc(C(C)(C)C)cc3)O2)cc1,ClCCl,594.0
13607,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)cc3)c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)cc2)SC1=S,CCO,491.0
4450,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5sc(-c6ccc(C=C(C#N)C(=O)O)s6)cc5s4)s3)cc2)cc1,C1CCOC1,495.0
4718,CCCCCCc1cc(-c2cc3sc(-c4cc(CCCCCC)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)cc3s2)sc1C=C(C#N)C(=O)O,CCO,450.0
9814,COc1ccc2cc(/C=C/c3nc(/C=C/c4ccc(N(C)C)cc4)cc(/C=C/c4ccc(N(C)C)cc4)n3)ccc2c1,ClCCl,418.0
6409,CCN1CCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3)CC[N+]=2CC,CCO,633.0
11722,Cc1sc(Cl)cc1-c1nc(-c2ccc(Cl)cc2)[nH]c1-c1cc(Cl)sc1C,CC#N,309.0
11723,Cc1sc(Cl)cc1-c1nc(-c2ccccc2)[nH]c1-c1cc(Cl)sc1C,CC#N,298.0
9107,COc1ccc(-c2nc(-c3cc(Cl)sc3C)c(-c3cc(Cl)sc3C)[nH]2)cc1,CC#N,337.0
5489,CCCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)c5nsnc45)ccc2N3CCCC)c(OCCCC)c1,ClCCl,498.0
5490,CCCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc2N3CCCC)c(OCCCC)c1,ClCCl,498.0
5461,CCCCOc1c(C=C2N(C)c3ccccc3C2(C)C)c(=O)c1=S,CCO,500.0
10315,Cc1c(C)c(-c2cccnc2)c(C)c(C)c1B(c1c(C)c(C)c(-c2cccnc2)c(C)c1C)c1c(C)c(C)c(-c2cccnc2)c(C)c1C,ClCCl,330.0
10200,C[Si](C)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1,ClCCl,302.0
13851,O=C(c1ccccc1)c1ccc(-n2ncc(-c3ccccc3)n2)cc1,CO,317.0
4437,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4sc(/C=C(\C#N)C(=O)O)cc4s3)cc2)cc1,C1CCOC1,451.0
4437,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4sc(/C=C(\C#N)C(=O)O)cc4s3)cc2)cc1,ClC(Cl)Cl,516.0
9565,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4sc(/C=C(\C#N)C(=O)O)cc4s3)cc2)cc1,ClC(Cl)Cl,512.0
12364,N#C/C(=C\c1cc2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2s1)C(=O)O,ClC(Cl)Cl,493.0
9555,COc1ccc(N(c2ccc(OC)cc2)c2cc(OC)c(-c3cc4sc(/C=C(\C#N)C(=O)O)cc4s3)cc2OC)cc1,ClC(Cl)Cl,517.0
6247,CCN(CC)c1ccc2cc3c([o+]c2c1)/C(=C/Nc1ccccc1)CCC3,CCO,605.0
6247,CCN(CC)c1ccc2cc3c([o+]c2c1)/C(=C/Nc1ccccc1)CCC3,ClC(Cl)Cl,616.0
6247,CCN(CC)c1ccc2cc3c([o+]c2c1)/C(=C/Nc1ccccc1)CCC3,ClCCl,615.0
7655,CN(C)c1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,480.0
7277,CN(C)c1[se]c(-c2ccc(Cl)cc2)nc1-c1ccccc1,ClC(Cl)Cl,360.0
7278,CN(C)c1[se]c(-c2ccccc2)nc1-c1ccccc1,ClC(Cl)Cl,326.0
9122,COc1ccc(-c2nc(-c3ccccc3)c(N(C)C)[se]2)cc1,ClC(Cl)Cl,339.0
12717,N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)o1)C(=O)O,C1CCOC1,536.0
9174,COc1ccc(-c2oc3c(c2Br)=[N+]2C(=C(C(F)(F)F)c4cc5oc(-c6ccc(OC)cc6)c(Br)c5n4[B-]2(F)F)C=3)cc1,ClC(Cl)Cl,738.0
1473,CC(C)c1ccc(-c2cc3c(o2)=CC2=Cc4cc5oc(-c6ccc(C(C)C)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,ClC(Cl)Cl,662.0
9952,COc1ccccc1-c1cc2c(o1)=CC1=Cc3cc4oc(-c5ccccc5OC)cc4n3[B-](F)(F)[N+]=21,ClC(Cl)Cl,671.0
12104,F[B-]1(F)n2c(cc3oc(-c4ccccc4)cc32)C=C2C=c3oc(-c4ccccc4)cc3=[N+]21,ClC(Cl)Cl,652.0
1513,CC(C)c1ccccc1-c1cc2c(o1)=CC1=Cc3cc4oc(-c5ccccc5C(C)C)cc4n3[B-](F)(F)[N+]=21,ClC(Cl)Cl,629.0
9002,COc1ccc(-c2cc3c(o2)=CC2=C(C(F)(F)F)c4cc5oc(-c6ccc(OC)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,ClC(Cl)Cl,723.0
9004,COc1ccc(-c2cc3c(o2)=CC2=Cc4cc5oc(-c6ccc(OC)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,ClC(Cl)Cl,672.6666666666666
9005,COc1ccc(-c2cc3c(o2)=CC2=Cc4cc5oc(-c6ccc(OC)cc6OC)cc5n4[B-](F)(F)[N+]=32)c(OC)c1,ClC(Cl)Cl,690.0
9656,COc1ccc(OC)c(-c2cc3c(o2)=CC2=Cc4cc5oc(-c6cc(OC)ccc6OC)cc5n4[B-](F)(F)[N+]=32)c1,ClC(Cl)Cl,679.0
9173,COc1ccc(-c2oc3c(c2Br)=[N+]2C(=C(C(F)(F)F)c4c(Br)c5oc(-c6ccc(OC)cc6)c(Br)c5n4[B-]2(F)F)C=3Br)cc1,C1CCOC1,741.0
9173,COc1ccc(-c2oc3c(c2Br)=[N+]2C(=C(C(F)(F)F)c4c(Br)c5oc(-c6ccc(OC)cc6)c(Br)c5n4[B-]2(F)F)C=3Br)cc1,ClC(Cl)Cl,746.0
9174,COc1ccc(-c2oc3c(c2Br)=[N+]2C(=C(C(F)(F)F)c4cc5oc(-c6ccc(OC)cc6)c(Br)c5n4[B-]2(F)F)C=3)cc1,C1CCOC1,732.0
1790,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C=C6SC(=S)N(CC(=O)O)C6=O)s5)ccc43)cc21,CCO,469.0
1788,CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(/C=C6\SC(=S)N(CC(=O)O)C6=O)s5)ccc43)cc21,CCO,469.0
12308,N#C/C(=C/c1ccc2c(c1)CC(c1ccc(N(c3ccccc3)c3ccccc3)cc1)=C2)C(=O)O,C1CCOC1,426.0
11251,Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3=Cc4ccc(/C=C(/C#N)C(=O)O)cc4C3)cc2)cc1,C1CCOC1,447.0
2003,CC1=CC(C)(C)N(C)c2cc3c(cc21)C(c1ccccc1C)=c1cc2c(cc1[Si]3(C)C)=[N+](C)C(C)(C)C=C2C,O,712.0
3282,CCCCCCCCCCN1c2ccccc2Oc2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4s3)ccc21,CN(C)C=O,437.0
15368,c1ccc2c(c1)-c1c(cc3ccc4cccc5ccc1c3c45)C21c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21,ClC(Cl)Cl,371.0
13991,O=C1O/C(=C\c2cccs2)c2ccccc21,CC#N,355.0
5944,CCN(CC)c1ccc(-c2ccc(-c3nc(N4CCOCC4)c4ccccc4n3)s2)cc1,CC#N,401.0
5944,CCN(CC)c1ccc(-c2ccc(-c3nc(N4CCOCC4)c4ccccc4n3)s2)cc1,Cc1ccccc1,405.0
1191,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(=O)c2cccnc2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1,Cc1ccccc1,381.0
4132,CCCCCCN1c2ccccc2Sc2cc(-c3ccc4c(c3)Sc3cc(/C=C5\SC(=S)N(CC(=O)O)C5=O)ccc3N4CCCCCC)ccc21,ClCCl,503.0
12106,F[B-]1(F)n2c(cc3sc4ccccc4c32)C(c2ccc(I)cc2)=C2C=c3sc4ccccc4c3=[N+]21,ClC(Cl)Cl,658.0
4495,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)c4nc5c6ccc(C(=O)O)nc6c6nc(C(=O)O)ccc6c5nc34)cc2)cc1,ClCCl,588.0
934,CC(C)(C)c1cc(/C=C/C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCC(=O)O)[o+]c2cc(N(Cc3cccc(S(=O)(=O)[O-])c3)Cc3cccc(S(=O)(=O)[O-])c3)ccc12,CCO,779.0
7572,CN(C)c1ccc(C2=Cc3ccccc3P2(=O)c2ccccc2)cc1,ClCCl,413.0
9452,COc1ccc(C2=Cc3ccccc3P2(=O)c2ccccc2)cc1,ClCCl,365.0
9452,COc1ccc(C2=Cc3ccccc3P2(=O)c2ccccc2)cc1,C1CCOC1,362.0
14146,O=Cc1ccc(C2=Cc3ccccc3P2(=O)c2ccccc2)cc1,ClCCl,357.0
14183,O=P1(c2ccccc2)C(c2ccc(C(F)(F)F)cc2)=Cc2ccccc21,C1CCOC1,342.0
14188,O=P1(c2ccccc2)C(c2ccccc2)=Cc2ccccc21,C1CCOC1,347.0
14188,O=P1(c2ccccc2)C(c2ccccc2)=Cc2ccccc21,ClCCl,350.0
13149,N#Cc1ccc(C2=Cc3ccccc3P2(=O)c2ccccc2)cc1,ClCCl,350.0
6794,CCOC(=O)c1ccc(C2=Cc3ccccc3P2(=O)c2ccccc2)cc1,ClCCl,353.0
3943,CCCCCCN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1,CC#N,464.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CC#N,310.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCCC,315.0
9960,COc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccc(C)cc1,Cc1ccccc1,359.0
15107,c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1,C1CCOC1,362.0
11013,Cc1ccc(-n2c(-c3ccccc3N)nc3c4ccccc4c4ccccc4c32)cc1,Cc1ccccc1,311.0
14694,Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1,Cc1ccccc1,335.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCOCCCC,315.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCN(CC)CC,316.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOC(C)=O,313.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOCC,313.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CN(C)C=O,313.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,316.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClC=C(Cl)Cl,316.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClCCl,313.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,314.0
1042,CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1COCCO1,315.0
3813,CCCCCCCCn1c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc(C=C(C#N)C(=O)O)o2)ccc1n3CCCCCCCC,C1CCOC1,539.0
3814,CCCCCCCCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc(C=C(C#N)C(=O)O)o2)ccc1n3CCCCCCCC,C1CCOC1,534.0
6433,CCN1c2cc3oc4cc(=[NH2+])ccc-4c(-c4ccccc4C(=O)[O-])c3cc2N(CC)C2CCCCC21,CCO,565.0
13641,O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc4ccc5cccc6ccc3c4c56)s2)SC1=S,C1CCOC1,444.0
14705,Oc1ccccc1/C=N/CC/N=C/c1ccccc1O,CC#N,396.0
5990,CCN(CC)c1ccc(/C=N/CC/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,339.0
5990,CCN(CC)c1ccc(/C=N/CC/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CN(C)C=O,353.0
5990,CCN(CC)c1ccc(/C=N/CC/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,ClCCl,344.0
5180,CCCCC[C@H](CC)N1c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2Oc2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,C1CCOC1,475.0
309,C(=C1c2ccccc2CCc2ccccc21)c1ccc(C=C2c3ccccc3CCc3ccccc32)cc1,C1CCOC1,330.0
3843,CCCCCCCCn1c2ccccc2c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CCCCCCCC)c4nc5c6cccnc6c6ncccc6c5nc34)ccc21,ClCCl,473.0
7310,CN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1,C1CCCCC1,351.0
7310,CN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1,CC#N,373.0
7310,CN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1,CCOC(C)=O,366.0
7310,CN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1,Cc1ccccc1,362.0
14448,O=c1c(O)c(-c2ccccc2)oc2ccccc12,O,346.0
8597,COc1c(-c2ccc(N(C)C)cc2)oc2ccccc2c1=O,C1CCCCC1,361.0
8597,COc1c(-c2ccc(N(C)C)cc2)oc2ccccc2c1=O,CC#N,375.0
8597,COc1c(-c2ccc(N(C)C)cc2)oc2ccccc2c1=O,CCOC(C)=O,372.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,Brc1ccccc1,393.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,C1CCOC1,386.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,C1COCCO1,383.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CC#N,389.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CC(C)=O,388.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CC(C)O,398.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CC(C)OC(C)C,378.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CCC(C)(C)O,392.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CCCCCC,371.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CCCCCCCCO,400.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CCCCO,400.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CCCCOCCCC,381.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CCN(CC)CC,376.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CCO,400.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CCOC(C)=O,384.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CN(C)C=O,394.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CO,402.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,CS(C)=O,398.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,Cc1ccccc1,384.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,ClC(Cl)(Cl)Cl,382.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,ClC(Cl)Cl,394.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,ClCCl,393.0
5966,CCN(CC)c1ccc(-c2oc3ccccc3c(=O)c2OC)cc1,O,413.0
11365,Cc1ccc(O)c(-c2nc(C)c3n2CCCC3)c1,ClCCl,321.0
11652,Cc1nc(-c2cc(C(F)(F)F)ccc2O)n2c1CCCC2,ClCCl,316.0
11653,Cc1nc(-c2cc(F)ccc2O)n2c1CCCC2,ClCCl,326.0
11654,Cc1nc(-c2cc(N)ccc2O)n2c1CCCC2,ClCCl,344.0
9650,COc1ccc(O)c(-c2nc(C)c3n2CCCC3)c1,ClCCl,332.0
11658,Cc1nc(-c2ccccc2O)n2c1CCCC2,ClCCl,314.0
15116,c1ccc(-c2nc3nccc(-c4ccccc4)n3n2)cc1,ClCCl,317.0
7374,CN(C)c1ccc(-c2nc3nccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3n2)cc1,ClCCl,402.0
7375,CN(C)c1ccc(-c2nc3nccc(-c4ccc(C#N)cc4)n3n2)cc1,ClCCl,400.0
7376,CN(C)c1ccc(-c2nc3nccc(-c4ccc(Cl)cc4)n3n2)cc1,ClCCl,378.0
10965,Cc1ccc(-c2ccnc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn23)cc1,ClCCl,309.0
10966,Cc1ccc(-c2ccnc3nc(-c4ccc(N(C)C)cc4)nn23)cc1,ClCCl,373.0
7340,CN(C)c1ccc(-c2ccnc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn23)cc1,ClCCl,401.0
7341,CN(C)c1ccc(-c2ccnc3nc(-c4ccc(C#N)cc4)nn23)cc1,ClCCl,402.0
7342,CN(C)c1ccc(-c2ccnc3nc(-c4ccc(Cl)cc4)nn23)cc1,ClCCl,394.0
11948,FC(F)(F)c1cc(-c2ccnc3nc(-c4ccccc4)nn23)cc(C(F)(F)F)c1,ClCCl,318.0
10994,Cc1ccc(-c2nc3nccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3n2)cc1,ClCCl,324.0
10995,Cc1ccc(-c2nc3nccc(-c4ccc(C)cc4)n3n2)cc1,ClCCl,317.0
10996,Cc1ccc(-c2nc3nccc(-c4ccc(N(C)C)cc4)n3n2)cc1,ClCCl,391.0
11950,FC(F)(F)c1cc(-c2nc3nccc(-c4ccccc4)n3n2)cc(C(F)(F)F)c1,ClCCl,305.0
2814,CCCCCC(=O)c1c2c(c(C(=O)CCCCC)c3c1OC1(CCCC1)O3)OC1(CCCC1)O2,CC#N,444.0
2814,CCCCCC(=O)c1c2c(c(C(=O)CCCCC)c3c1OC1(CCCC1)O3)OC1(CCCC1)O2,CCCCCC,435.0
2814,CCCCCC(=O)c1c2c(c(C(=O)CCCCC)c3c1OC1(CCCC1)O3)OC1(CCCC1)O2,CCO,452.0
2814,CCCCCC(=O)c1c2c(c(C(=O)CCCCC)c3c1OC1(CCCC1)O3)OC1(CCCC1)O2,CO,452.0
2814,CCCCCC(=O)c1c2c(c(C(=O)CCCCC)c3c1OC1(CCCC1)O3)OC1(CCCC1)O2,ClCCl,449.0
2077,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,CO,507.0
2077,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,Cc1ccccc1,513.0
2077,CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,ClCCl,511.0
4911,CCCCCCc1ccc(-c2ccc(-c3ccc(N(c4ccc(/C=C(/C#N)C(=O)O)cc4)c4ccc(-c5ccc(-c6ccc(CCCCCC)s6)s5)cc4)cc3)s2)s1,ClC(Cl)Cl,468.0
5093,CCCCCCn1c2ccccc2c2cc(-c3cc(-c4sc(/C=C(\C#N)C(=O)O)cc4-c4ccc5c(c4)c4ccccc4n5CCCCCC)sc3-c3ccc4c(c3)c3ccccc3n4CCCCCC)ccc21,ClCCl,492.0
5094,CCCCCCn1c2ccccc2c2cc(-c3cc(-c4sc(C=C(C#N)C(=O)O)cc4-c4ccc5c(c4)c4ccccc4n5CCCCCC)sc3-c3ccc4c(c3)c3ccccc3n4CCCCCC)ccc21,ClCCl,400.0
13250,NC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)O2)C=CC1,O,350.0
971,CC(C)(C)c1cc2c3c(c1)C(C)(C)c1cc(C(C)(C)C)cc4c1N3c1c(cc(-c3cc5sc(C=C(C#N)C(=O)O)cc5s3)cc1C4(C)C)C2(C)C,C1CCOC1,456.0
7937,CN1/C(=C2\C(=O)c3cc(Nc4ccc5c(c4)Sc4cc(/C=C(\C#N)C(=O)O)ccc4N5c4ccccc4)ccc3N2C)C(=O)c2ccccc21,CCO,565.0
7549,CN(C)c1ccc(C(C=C(C#N)C#N)=c2ccc(=C(C#N)C#N)cc2)cc1,ClCCl,759.0
9530,COc1ccc(N(c2ccc(/C=C(\C)c3ccccc3)cc2)c2ccc(/C=C(\C)c3ccccc3)cc2)cc1,Cc1ccccc1,364.0
12556,N#C/C(=C\c1ccc(N(c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)c2ccc(/C=C/C(=O)O)cc2)cc1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,576.0
12558,N#C/C(=C\c1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O,CCO,424.0
9223,COc1ccc(/C(C#N)=C/c2ccc(N(c3ccccc3)c3ccc(/C=C(\C#N)c4ccc(OC)cc4)cc3)cc2)cc1,C1CCOC1,425.0
4199,CCCCCCOc1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(OCCCCCC)cc(OCCCCCC)c4)cc3)c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)cc(OCCCCCC)c1,ClCCl,444.0
12565,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccc(/C=C(\C#N)c3ccc(C#N)cc3)cc2)cc1)c1ccc(C#N)cc1,C1CCOC1,448.0
12780,N#CC(=Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(C=Cc3ccccc3)cc2)cc1)C(=O)O,CCO,424.0
8691,COc1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(OC)cc(OC)c4)cc3)c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)cc(OC)c1,ClCCl,427.0
278,C(=C/c1nc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1)\c1ccccc1,ClCCl,430.0
9298,COc1ccc(/C=C/c2nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,424.0
11974,FC(F)(F)c1ccc(/C=C/c2nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,430.0
7452,CN(C)c1ccc(/C=C/c2nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,409.0
190,C(=C/N(c1ccccc1)c1ccccc1)\c1ccc(-c2cccc3nsnc23)cc1,Cc1ccccc1,426.0
10813,Cc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl,CC#N,393.0
10813,Cc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl,CO,395.0
10813,Cc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl,ClCCl,399.0
9649,COc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CC#N,395.0
9649,COc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CO,401.0
9649,COc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,ClCCl,399.0
10888,Cc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(O)c1,CC#N,393.0
10888,Cc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(O)c1,CO,397.0
10888,Cc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(O)c1,ClCCl,393.0
9655,COc1ccc(OC)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CC#N,396.0
9655,COc1ccc(OC)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CO,397.0
9655,COc1ccc(OC)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,ClCCl,399.0
9870,COc1cccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,CC#N,393.0
9870,COc1cccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,CO,395.0
9870,COc1cccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,ClCCl,396.0
8382,COC(=O)c1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CC#N,390.0
8382,COC(=O)c1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CO,394.0
8382,COC(=O)c1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,ClCCl,395.0
8740,COc1cc(C=O)cc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,CC#N,390.0
8740,COc1cc(C=O)cc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,CO,398.0
8740,COc1cc(C=O)cc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,ClCCl,390.0
11506,Cc1cccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,CC#N,391.0
11506,Cc1cccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,CO,395.0
11506,Cc1cccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1O,ClCCl,392.0
14054,O=C1c2ccccc2-c2c(-c3cc(Br)ccc3O)[nH]c(=O)n21,CC#N,390.0
14054,O=C1c2ccccc2-c2c(-c3cc(Br)ccc3O)[nH]c(=O)n21,CO,400.0
14054,O=C1c2ccccc2-c2c(-c3cc(Br)ccc3O)[nH]c(=O)n21,ClCCl,396.0
14055,O=C1c2ccccc2-c2c(-c3cc(Cl)ccc3O)[nH]c(=O)n21,CC#N,390.0
14055,O=C1c2ccccc2-c2c(-c3cc(Cl)ccc3O)[nH]c(=O)n21,CO,393.0
14055,O=C1c2ccccc2-c2c(-c3cc(Cl)ccc3O)[nH]c(=O)n21,ClCCl,395.0
14057,O=C1c2ccccc2-c2c(-c3cccc(Cl)c3O)[nH]c(=O)n21,CC#N,388.0
14057,O=C1c2ccccc2-c2c(-c3cccc(Cl)c3O)[nH]c(=O)n21,CO,393.0
14057,O=C1c2ccccc2-c2c(-c3cccc(Cl)c3O)[nH]c(=O)n21,ClCCl,391.0
14059,O=C1c2ccccc2-c2c(-c3ccccc3O)[nH]c(=O)n21,CC#N,393.0
14059,O=C1c2ccccc2-c2c(-c3ccccc3O)[nH]c(=O)n21,CO,396.0
14059,O=C1c2ccccc2-c2c(-c3ccccc3O)[nH]c(=O)n21,ClCCl,394.0
6805,CCOC(=O)c1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CC#N,391.0
6805,CCOC(=O)c1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CO,395.0
6805,CCOC(=O)c1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,ClCCl,399.0
8896,COc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(OC)c1,CC#N,401.0
8896,COc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(OC)c1,CO,401.0
8896,COc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(OC)c1,ClCCl,406.0
11364,Cc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CC#N,394.0
11364,Cc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CO,399.0
11364,Cc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,ClCCl,393.0
7007,CC[P](CC)(CC)[Pt](C#Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)(C#Cc1ccc(C=C(C#N)C(=O)O)s1)[P](CC)(CC)CC,ClCCl,461.0
14394,O=[N+]([O-])c1cccc2c1ccc1[n+]2[B-](F)(F)n2c-1cc1c3ccccc3c3ccccc3c12,ClCCl,518.0
13423,Nc1cccc2c1ccc1[n+]2[B-](F)(F)n2c-1cc1c3ccccc3c3ccccc3c12,ClCCl,468.0
12101,F[B-]1(F)n2c(cc3c4ccccc4c4ccccc4c32)-c2ccc3ccccc3[n+]21,ClCCl,476.0
13398,Nc1ccc2c(ccc3[n+]2[B-](F)(F)n2c-3cc3c4ccccc4c4ccccc4c32)c1,ClCCl,482.0
14378,O=[N+]([O-])c1ccc2c(ccc3[n+]2[B-](F)(F)n2c-3cc3c4ccccc4c4ccccc4c32)c1,ClCCl,530.0
2848,CCCCCC1c2c(C)c(/C=C(\C#N)C(=O)O)c(C)n2[B-](F)(F)[N+]2=C(C)C(c3ccc4c(c3)Sc3cc(C5=C(C)C6C(CCCCC)c7c(C)c(/C=C(\C#N)C(=O)O)c(C)n7[B-](F)(F)[N+]6=C5C)ccc3N4CCC)=C(C)C12,ClCCl,534.0
14461,O=c1c2cc(F)c(O)cc2oc2cc(N3CCCCC3)c(F)cc12,CCO,373.0
11328,Cc1ccc(N2c3ccc(-c4ccc(C=C5C(=O)NC(=O)NC5=O)s4)cc3C3CCCC32)cc1,ClCCl,588.0
1594,CC1(C)C(/C=C2\C(=O)C(/C=C3\N(CCC(=O)O)c4cc5ccccc5cc4C3(C)C)=C2[O-])=[N+](CCC(=O)O)c2ccc3ccccc3c21,CCO,679.0
5223,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(/C=C/c4ccc(N(C)C)cc4)c(-c4ccccc4)nc3c2)cc1,C1COCCO1,475.0
5223,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(/C=C/c4ccc(N(C)C)cc4)c(-c4ccccc4)nc3c2)cc1,CC#N,487.0
5223,CCCCN(CCCC)c1ccc(/C=C/c2ccc3nc(/C=C/c4ccc(N(C)C)cc4)c(-c4ccccc4)nc3c2)cc1,ClCCl,482.0
14205,O=P1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,C1CCCCC1,327.0
14205,O=P1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CC#N,327.0
14205,O=P1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CCO,329.0
14205,O=P1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,ClCCl,329.0
4494,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)c4nc(C(=O)O)c(C(=O)O)nc34)cc2)cc1,ClCCl,531.0
13108,N#Cc1ccc(-n2c(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)s3)nc3c4ccccc4c4ccccc4c32)c2ccccc12,ClCCl,301.0
4910,CCCCCCc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6sc(/C=C(/C#N)C(=O)O)cc6s5)cc4)c4ccc(-c5cc6sc(/C=C(\C#N)C(=O)O)cc6s5)cc4)cc3)s2)s1,CCO,463.0
561,C=c1c2c(-c3ccc(-n4c5c(c6ccccc64)CCC5)cc3)n(CC)c(=C)c2c(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)n1CC,CCO,436.0
14973,c1ccc(-c2cc3cccc4cc(-c5ccccc5)c5cc(-c6cc7[b-]8c(c6)c(-c6ccccc6)cc6cccc(cc7-c7ccccc7)[n+]86)cc2[b-]5[n+]34)cc1,C1CCCCC1,444.0
15143,c1ccc(-n2c(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)nc3ccccc32)cc1,C1CCOC1,342.0
4408,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5sc(/C=C(\C#N)C(=O)O)c6sc(C(=O)OCC(CC)CCCC)cc56)cc3C4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,ClCCl,660.0
2208,CC1Cc2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)ccc2N1c1ccc(C(C)(C)C)cc1,C1CCOC1,460.0
7952,CN1C(=CC2=C([O-])C(=CC3=[N+](C)c4ccccc4C3(C)C)C2=C2C(=O)NC(=O)NC2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,644.0
6542,CCOC(=O)C(Cc1ccc(O[Si]2(Oc3ccc(CC(NC(C)=O)C(=O)OCC)cc3)n3c4c5ccccc5c3/N=C3\N=C(/N=c5/c6ccccc6/c(n52)=N/C2=N/C(=N\4)c4ccccc42)c2ccccc23)cc1)NC(C)=O,CN(C)C=O,681.0
8156,COC(=O)C(N)Cc1ccc(O[Si]2(Oc3ccc(CC(N)C(=O)OC)cc3)n3c4c5ccccc5c3/N=C3\N=C(/N=c5/c6ccccc6/c(n52)=N/C2=N/C(=N\4)c4ccccc42)c2ccccc23)cc1,CN(C)C=O,680.0
14499,O=c1cc(-c2nc3ccccn3c2NC2CCCCC2)occ1OCc1ccccc1,ClCCl,357.0
11562,Cc1cccc2nc(-c3cc(=O)c(OCc4ccccc4)co3)c(NC3CCCCC3)n12,ClCCl,352.0
5556,CCCC[C@H](CC)COc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(OC[C@@H](CC)CCCC)cc4)ccc2N3c2ccc(C(=O)O)cc2)cc1,C1CCOC1,290.0
2709,CCCCC(CC)Cn1c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc2c2nc3ccccc3nc21,ClCCl,439.0
2706,CCCCC(CC)Cn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2nc3ccccc3nc21,ClCCl,439.0
13547,O=C(O)CC(C(=O)O)c1ccc2c3n4c(c2c1)/N=C1\N=C(/N=c2/c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5/c(n2[Zn]4)=N/C2=N/C(=N\3)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,681.0
932,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,618.0
8108,COC#C/C1=c2\cc/c3n2[Zn]n2c(ccc2/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC1=N2)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1cc(C(C)(C)C)cc(C(C)(C)C)c1,C1CCOC1,452.0
3221,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,619.0
903,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#CC#N)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,458.0
904,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#C[N+](=O)[O-])=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,452.0
3189,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#CC(=O)O)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(N(C)C)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,667.0
7253,CN(C)C#C/C1=c2\cc/c3n2[Zn]n2c(ccc2/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC1=N2)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1cc(C(C)(C)C)cc(C(C)(C)C)c1,C1CCOC1,458.0
12817,N#CC(=Cc1sc(C#CC2=CSC(=C3SC=CS3)S2)c2c1OCCO2)C(=O)O,CS(C)=O,391.0
1006,CC(C)(C)c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc(C(C)(C)C)cc5)c(C(=O)N5CCCC5)s4)s3)sc2C(=O)N2CCCC2)cc1,ClCCl,378.0
10639,Cc1cc(C)c(-c2cc(-c3c(C)cc(C)cc3C)c3ccc4c(-c5c(C)cc(C)cc5C)cc(-c5c(C)cc(C)cc5C)c5ccc2c3c54)c(C)c1,ClCCl,363.0
10714,Cc1cc(C)c(C)c(-c2cc(-c3c(C)c(C)cc(C)c3C)c3ccc4c(-c5c(C)c(C)cc(C)c5C)cc(-c5c(C)c(C)cc(C)c5C)c5ccc2c3c54)c1C,ClCCl,364.0
5474,CCCCOc1ccc(-c2cc(-c3ccc(OCCCC)cc3)c3ccc4c(-c5ccc(OCCCC)cc5)cc(-c5ccc(OCCCC)cc5)c5ccc2c3c54)cc1,ClC(Cl)Cl,394.0
8719,COc1cc(C)c(-c2cc(-c3c(C)cc(OC)cc3C)c3ccc4c(-c5c(C)cc(OC)cc5C)cc(-c5c(C)cc(OC)cc5C)c5ccc2c3c54)c(C)c1,ClCCl,367.0
118,C(#Cc1cc(C#Cc2cccs2)c(C#Cc2cccs2)c(C#Cc2cccs2)c1C#Cc1cccs1)c1cccs1,ClCCl,372.0
4251,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5C(CCCCCC)CCCCCC)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,526.0
4252,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)c4sc(C=C(C#N)C(=O)O)cc4n5C(CCCCCC)CCCCCC)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,526.0
4255,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4)cc3)c3ccc(-c4cc5c(s4)c4sc(C=C(C#N)C(=O)O)cc4n5CCCCCC)cc3)cc2)cc1,ClCCl,524.0
14194,O=P1(c2ccccc2)C2=C(c3ccccc31)[Si](c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc12,CC#N,456.0
14194,O=P1(c2ccccc2)C2=C(c3ccccc31)[Si](c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc12,CO,466.0
14194,O=P1(c2ccccc2)C2=C(c3ccccc31)[Si](c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc12,Cc1ccccc1,459.0
8929,COc1ccc(-c2c3cc4ccccc4cc3c(-c3ccc(OC)cc3)c3cc4ccccc4cc23)cc1,ClCCl,602.0
460,C1=Cc2ccccc2C(=Cc2ccc(C=C3c4ccccc4C=Cc4ccccc43)cc2)c2ccccc21,C1CCOC1,333.0
5676,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(N(c3ccc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)cc3)c3ccc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)cc3)cc21,ClCCl,488.0
3766,CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)c2ccc(-c3ccc(C4=C5C(=O)N(Cc6c(OCC(CC)CCCC)cccc6OCC(CC)CCCC)C(c6ccc(-c7cc(B(c8c(C)cc(C)cc8C)c8c(C)cc(C)cc8C)c(-c8ncc(C=C(C(=O)O)C(=O)O)s8)s7)s6)=C5C(=O)N4Cc4c(OCC(CC)CCCC)cccc4OCC(CC)CCCC)s3)cc2)cc1,C1CCOC1,642.0
5869,CCCc1c(/C=C(\C#N)C(=O)O)sc2cc(-c3ccc4c(c3)[C@@H]3CCC[C@@H]3N4c3ccc4c(c3)C(CCC)(CCC)c3ccccc3-4)sc12,ClCCl,492.0
5866,CCCc1c(/C=C(\C#N)C(=O)O)sc2cc(-c3ccc4c(c3)C3CCCC3N4c3ccc4c(c3)C(CCC)(CCC)c3ccccc3-4)sc12,ClCCl,492.0
3549,CCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc4c5cc6c(cc5n(CCCCCCCC)c4cc3-c3sccc32)-c2sc(-c3c(F)c(F)c(-c4ccc(C(=O)O)cc4)c4nsnc34)cc2C6(c2ccc(OCCCCCCCC)cc2)c2ccc(OCCCCCCCC)cc2)cc1,ClC(Cl)Cl,509.0
3550,CCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc4c5cc6c(cc5n(CCCCCCCC)c4cc3-c3sccc32)-c2sc(-c3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)cc2C6(c2ccc(OCCCCCCCC)cc2)c2ccc(OCCCCCCCC)cc2)cc1,ClC(Cl)Cl,516.0
2534,CCCC1=CC2=C(c3c(C)cc(C)cc3C)c3cc(CCC)c(-c4ccc5ccc6cccc7ccc4c5c67)n3[B-](F)(F)[N+]2=C1c1ccc2ccc3cccc4ccc1c2c34,ClC(Cl)Cl,562.0
9077,COc1ccc(-c2cnc(-c3cc[n+](Cc4cccc(C(=O)ON5C(=O)CCC5=O)c4)cc3)o2)cc1S(=O)(=O)[O-],O,399.0
805,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)C1=CC2=C(c3cccs3)c3cccn3[B-](F)(F)[N+]2=C1,CCOC(C)=O,513.5
5569,CCCC[N+]1=C(/C=C2/C(=O)C(O)=C2[O-])C(C)(C)c2c1ccc(-c1ccccc1)c2-c1ccccc1,CCO,442.0
1926,CC1=C(Br)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)c(Br)c(C)n1[B-]2(F)F,ClCCl,548.0
2046,CC1=CC(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,518.0
1939,CC1=C(I)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)c(I)c(C)n1[B-]2(F)F,ClCCl,554.0
1940,CC1=C(I)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,534.0
1849,CC1(C)c2ccccc2N(c2c(F)cc(-c3nnc(-c4ccccc4)o3)cc2F)c2ccccc21,Cc1ccccc1,376.0
1849,CC1(C)c2ccccc2N(c2c(F)cc(-c3nnc(-c4ccccc4)o3)cc2F)c2ccccc21,O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1,370.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,C1CCOC1,361.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,C1COCCO1,363.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,CC#N,358.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,CC(C)=O,361.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,CCCCCC,362.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,CCO,361.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,CCOC(C)=O,360.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,CN(C)C=O,360.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,CS(C)=O,364.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,Cc1ccccc1,362.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,ClC(Cl)Cl,365.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,ClCCCl,368.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,ClCCl,366.0
1882,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)c2ccccc21,Clc1ccccc1,367.0
2936,CCCCCCC1CC(C)(CCCCCC)N(C)c2cc(CCC(=O)O)c(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc21,ClC(Cl)Cl,615.0
5364,CCCCN1c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4nsnc34)cc2Sc2cc(N(c3ccccc3)c3ccccc3)ccc21,C1CCOC1,469.0
15157,c1ccc(-n2c3c(c4c2-c2ccccc2C42c4ccccc4-c4ccccc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1,C1CCOC1,375.0
15018,c1ccc(-c2cnc3nn4ccccc4c3n2)cc1,C1CCOC1,400.0
10970,Cc1ccc(-c2cnc3nn4ccccc4c3n2)cc1,C1CCOC1,400.0
9087,COc1ccc(-c2cnc3nn4ccccc4c3n2)cc1,C1CCOC1,400.0
685,CC(=O)c1ccc(-c2cnc3nn4ccccc4c3n2)cc1,C1CCOC1,400.0
5083,CCCCCCn1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2c2cc(-c3ccc(OC)cc3)ccc21,ClC(Cl)Cl,457.0
12302,N#C/C(=C/c1ccc(N(c2ccccc2)c2ccc(/C=C(\C#N)c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1)c1ccc(/C=C(\C#N)C(=O)O)s1,CN(C)C=O,484.0
12767,N#CC(=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccc(C=C(C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,CCO,468.0
2059,CC1=CC(C)=[N+]2C1=C(c1ccc(C)cc1)c1c(C)cc(/C=C/c3ccc4ccc5cccc6ccc3c4c56)n1[B-]2(F)F,CC1CCCO1,598.0
12535,N#C/C(=C\c1ccc(C(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)c2ccccc2)cc1)C(=O)O,ClCCl,439.0
5206,CCCCCn1c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,Cc1ccccc1,411.0
1290,CC(C)(C)c1ccc2cc3c4cccc5cccc(c6cc(C(C)(C)C)cc(c2c1)c63)c54,CC1CCCCC1,438.0
8889,COc1cc2nc3c4cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c9c(Oc%10ccc(C(C)(C)C)cc%10)cc(c(=O)n3c2cc1OC)c4c95)c86)C(=O)OC7=O,ClCCl,626.0
810,CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)s1,CCOC(C)=O,509.5
2146,CC1=[N+]2C(=C(c3ccc(C(OC(=O)c4ccccc4)C(=O)NC(C)(C)C)s3)c3ccc(C)n3[B-]2(F)F)C=C1,CCOC(C)=O,520.5
11369,Cc1ccc(OCc2cc(=O)oc3c2ccc2ccccc23)cc1,CO,352.0
11369,Cc1ccc(OCc2cc(=O)oc3c2ccc2ccccc23)cc1,Cc1ccccc1,354.0
11369,Cc1ccc(OCc2cc(=O)oc3c2ccc2ccccc23)cc1,ClCCl,354.0
11369,Cc1ccc(OCc2cc(=O)oc3c2ccc2ccccc23)cc1,C1CCOC1,352.0
11369,Cc1ccc(OCc2cc(=O)oc3c2ccc2ccccc23)cc1,C1COCCO1,352.0
11369,Cc1ccc(OCc2cc(=O)oc3c2ccc2ccccc23)cc1,CCOC(C)=O,351.0
13013,N#Cc1c(N2CCCCC2)cc(-c2ccccc2)c2c1C(=O)c1ccccc1-2,C1CCOC1,348.0
9514,COc1ccc(CN(C(=O)c2ccccc2)C(C(=O)NC(C)(C)C)c2ccc(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)cc2)cc1,C1CCOC1,501.5
814,CC(C)(C)NC(=O)C(c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1)N(Cc1ccccc1)C(=O)c1ccccc1,C1CCOC1,501.5
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,C1CCCCC1,400.3891783
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,C1CCOC1,398.4905179
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,C1COCCO1,397.0696262
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CC#N,397.0696262
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CC(C)CC(C)(C)C,398.4905179
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CC(C)O,396.1305963
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CC(O)CO,398.4905179
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CC1CCCCC1,399.4391874
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CC1COC(=O)O1,399.9104201
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CCCCCO,397.5495049
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CCCCO,472.0432392
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CCOC(C)=O,401.8097511
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CN(C)C=O,398.0194552
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CNC=O,398.9706557
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CO,395.6494388
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,COCCOC,397.5495049
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,CS(C)=O,396.1305963
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,ClC(Cl)Cl,397.0696262
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,N#Cc1ccccc1,401.2969919
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,NC=O,400.3891783
5583,CCCCc1c2ccccc2c(-c2ccc(-c3nc4cc(CC(NC(=O)OC(C)(C)C)C(=O)OC)ccc4o3)cc2)c2ccccc12,OC(C(F)(F)F)C(F)(F)F,391.8694918
5464,CCCCOc1c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc1Cc1cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc(c1OCCCC)Cc1cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc(c1OCCCC)Cc1cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc(c1OCCCC)C2,ClC(Cl)Cl,468.0
7156,CCn1c2ccccc2c2c(C#N)c3c(ccc4c3cnn4C)nc21,CCOC(C)=O,383.0
11935,Cn1ncc2c3c(C#N)c4c5ccccc5n(C)c4nc3ccc21,CCOC(C)=O,383.0
7247,CCn1ncc2c3c(C#N)c4c5ccccc5n(C)c4nc3ccc21,CCOC(C)=O,383.0
7248,CCn1ncc2c3c(C#N)c4c5ccccc5n(CC)c4nc3ccc21,CCOC(C)=O,383.0
11267,Cc1ccc(N(c2ccc(C=NN(c3ccccc3)c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)cc2)c2ccc(C=NN(c3ccccc3)c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)cc2)cc1,ClC(Cl)Cl,484.0
4578,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3=C4C(=O)N(CCCCCC)C(c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)cc5)=C4C(=O)N3CCCCCC)cc2)cc1,ClCCl,538.0
9816,COc1ccc2cc(C#CC3=C4CCc5ccccc5C4=[O+][B-](F)(F)O3)ccc2c1,ClCCl,457.0
928,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,ClCCl,609.0
11978,FC(F)(F)c1ccc(B2c3ccccc3Nc3ccccc32)c(C(F)(F)F)c1,ClCCl,388.0
11996,FC(F)(F)c1ccccc1B1c2ccccc2Nc2ccccc21,ClCCl,386.0
5387,CCCCN1c2ccccc2B(c2ccccc2C(F)(F)F)c2ccccc21,ClCCl,386.0
11732,Clc1cc(Cl)c(B2c3ccccc3Nc3ccccc32)c(Cl)c1,ClCCl,396.0
12608,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,C1CCOC1,378.0
12608,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,C1COCCO1,379.0
12608,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,CCOC(C)=O,375.0
12608,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,CN(C)C=O,376.0
12608,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,CS(C)=O,375.0
12608,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,Cc1ccccc1,383.0
12608,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,ClC(Cl)Cl,382.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,C1CCOC1,381.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,C1COCCO1,381.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,CCO,380.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,CCOC(C)=O,380.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,CN(C)C=O,388.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,CO,377.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,CS(C)=O,382.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,Cc1ccccc1,387.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,ClC(Cl)Cl,383.0
12609,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,ClCCl,380.0
7039,CC[n+]1nc2cc3c4c(c2c2cc(C)ccc21)CCCN4CCC3,O,500.0
7040,CC[n+]1nc2cc3c4c(c2c2cc(F)ccc21)CCCN4CCC3,O,494.0
7041,CC[n+]1nc2cc3c4c(c2c2ccccc21)CCCN4CCC3,O,493.0
7639,CN(C)c1ccc2c(-c3ccc(C(=O)ON4C(=O)C=CC4=O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CO,546.0
1131,CC(C)(C)c1ccc(N(c2ccc(C3=[O+][B-](F)(F)OC(c4ccc(C(=O)O)cc4)=C3)cc2)c2ccc(C(C)(C)C)cc2)cc1,CC#N,484.0
4663,CCCCCCSc1ccc(N(c2ccc(SCCCCCC)cc2)c2ccc(-c3sc(C4=C/C(=C5/C=C(c6sc(-c7ccc(C=C(C#N)C(=O)O)s7)c(CCCCCC)c6CCCCCC)OC5=O)C(=O)O4)c(CCCCCC)c3CCCCCC)cc2)cc1,ClC(Cl)Cl,681.0
4697,CCCCCCc1c(C2=C/C(=C3/C=C(c4sc(-c5ccc(C=C(C#N)C(=O)O)s5)c(CCCCCC)c4CCCCCC)OC3=O)C(=O)O2)sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1CCCCCC,ClC(Cl)Cl,676.0
15233,c1ccc(C[n+]2cc3ccc4c[n+](Cc5ccccc5)cc5ccc(c2)c3c45)cc1,CC#N,421.0
13085,N#Cc1ccc(-c2ccc(N(c3ccc(C#Cc4cc(C#N)c(C#Cc5cc(C#N)ccc5C#N)cc4C#N)cc3)c3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1,ClC(Cl)Cl,473.0
9044,COc1ccc(-c2ccc(N(c3ccc(C#Cc4cc(C#N)c(C#Cc5cc(C#N)ccc5C#N)cc4C#N)cc3)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1,ClC(Cl)Cl,498.0
13141,N#Cc1ccc(C#N)c(C#Cc2cc(C#N)c(C#Cc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2C#N)c1,ClC(Cl)Cl,491.0
4253,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5sc(/C=C(/C#N)C(=O)O)cc5s4)cc3)c3ccc(-c4cc5sc(/C=C(\C#N)C(=O)O)cc5s4)cc3)cc2)c(OCCCCCC)c1,CCO,477.0
2800,CCCCC1(c2ccccc2)Nc2c(-c3ccc(N(C)C)cc3)ccc(-c3ccc(N(C)C)cc3)c2N=C1c1ccccc1,ClC(Cl)Cl,371.0
2803,CCCCC1(c2ccccc2)Nc2c(-c3ccc(OC)cc3)ccc(-c3ccc(OC)cc3)c2N=C1c1ccccc1,ClC(Cl)Cl,400.0
10685,Cc1cc(C)c(B(c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,378.0
3936,CCCCCCN(c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1)c1ccc(/C=C(\C#N)c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)s2)cc1,ClC(Cl)Cl,449.0
14482,O=c1c2ccccc2n(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc12,ClCCl,394.0
3572,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3cc4sc5c6sc7cc(/C=C(/C#N)C(=O)O)sc7c6c(OCC(CC)CCCC)c(OCC(CC)CCCC)c5c4s3)cc2)cc1,C1CCOC1,478.0
10444,Cc1cc(/C=C/c2c(C)nn(C)c2C)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
14215,O=S(=O)([O-])CCCCN1C=C/C(=C/C=C/C=C/c2cc[n+](CCCCS(=O)(=O)[O-])c3ccccc23)c2ccccc21,CO,815.0
14236,O=S(=O)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(S(=O)(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,354.0
1133,CC(C)(C)c1ccc(N(c2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccccc5C(C)(C)C)cc4)cc3)cc2)c2ccccc2C(C)(C)C)cc1,Cc1ccccc1,351.0
1316,CC(C)(C)c1ccccc1N(c1ccccc1)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(N(c4ccccc4)c4ccccc4C(C)(C)C)cc3)cc2)cc1,Cc1ccccc1,348.0
10742,Cc1cc(C)c(N(c2ccccc2)c2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(N(c5ccccc5)c5c(C)cc(C)cc5C)cc4)cc3)cc2)c(C)c1,Cc1ccccc1,351.0
5284,CCCCN(CCCC)c1ccc2nc3c4ccccc4c(=O)c(-c4cccc5ccccc45)c-3oc2c1,ClCCl,552.0
5689,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,443.0
5690,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,440.0
5690,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CC#N,440.0
5690,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CCO,440.0
5690,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CN(C)C=O,440.0
5690,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,Cc1ccccc1,440.0
5690,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClC(Cl)Cl,440.0
5690,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClCCl,440.0
5689,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,C1CCOC1,443.0
5689,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CC#N,443.0
5689,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CCO,443.0
5689,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CN(C)C=O,443.0
5689,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,Cc1ccccc1,443.0
5689,CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClC(Cl)Cl,443.0
3222,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1C1=C2C=CC(=N2)C(C#Cc2ccc(C(=O)O)cc2)=c2ccc3n2[Zn]n2c(ccc21)C(c1ccc(-n2c4ccccc4c4ccccc42)cc1)=C1C=CC(=N1)C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,446.0
3202,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)c(C#N)c2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccc(-n2c4ccccc4c4ccccc42)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,627.0
474,C1=[N+]2N=C(c3ccccc3)O[B-]2(c2ccc([B-]34OC(c5ccccc5)=N[N+]3=Cc3c(ccc5ccccc35)O4)cc2)Oc2ccc3ccccc3c21,C1CCOC1,423.0
14636,Oc1ccc(C2=N[N+]3=Cc4c(ccc5ccccc45)O[B-]3(c3ccc([B-]45OC(c6ccc(O)cc6)=N[N+]4=Cc4c(ccc6ccccc46)O5)cc3)O2)cc1,C1CCOC1,424.0
12649,N#CC(=Cc1ccc(-c2cc(C(=O)O)c(-c3ccc(/C=C(\C#N)c4ccc([N+](=O)[O-])cc4)s3)cc2C(=O)O)s1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,636.0
11105,Cc1ccc(C)c(-c2cc3c4c(ccc5c4c2OC(c2ccccc2)=C5c2ccccc2)C(c2ccccc2)=C(c2ccccc2)O3)c1,ClCCl,497.0
12219,Fc1ccc(F)c(-c2cc3c4c(ccc5c4c2OC(c2ccccc2)=C5c2ccccc2)C(c2ccccc2)=C(c2ccccc2)O3)c1,ClCCl,492.0
15207,c1ccc(C2=C(c3ccccc3)c3ccc4c5c(c(-c6ccccc6)cc(c35)O2)OC(c2ccccc2)=C4c2ccccc2)cc1,ClCCl,497.0
11742,Clc1ccc(-c2cc3c4c(ccc5c4c2OC(c2ccccc2)=C5c2ccccc2)C(c2ccccc2)=C(c2ccccc2)O3)cc1Cl,ClCCl,456.0
9385,COc1ccc(C)cc1-c1cc2c3c(ccc4c3c1OC(c1ccccc1)=C4c1ccccc1)C(c1ccccc1)=C(c1ccccc1)O2,ClCCl,498.0
9521,COc1ccc(Cl)cc1-c1cc2c3c(ccc4c3c1OC(c1ccccc1)=C4c1ccccc1)C(c1ccccc1)=C(c1ccccc1)O2,ClCCl,496.0
9014,COc1ccc(-c2cc3c4c(ccc5c4c2OC(c2ccccc2)=C5c2ccccc2)C(c2ccccc2)=C(c2ccccc2)O3)c(OC)c1,ClCCl,499.0
9015,COc1ccc(-c2cc3c4c(ccc5c4c2OC(c2ccccc2)=C5c2ccccc2)C(c2ccccc2)=C(c2ccccc2)O3)cc1Br,ClCCl,498.0
11148,Cc1ccc(C2=C3C=CC(Sc4ccccc4)=[N+]3[B-](F)(F)n3c(Sc4ccccc4)ccc32)cc1,C1CCOC1,577.0
2339,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,400.0
2339,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC#N,394.0
2339,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CC(C)=O,398.0
2339,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCCCCC,401.0
2339,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CN(C)C=O,396.0
2339,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,403.0
2339,CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClC(Cl)Cl,402.0
10107,C[N+](C)=c1ccc2c(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)O)c3ccc4cc(O)ccc4c3oc-2c1,O,574.0
10108,C[N+](C)=c1ccc2c(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)[O-])c3ccc4cc([O-])ccc4c3oc-2c1,O,605.0
10109,C[N+](C)=c1ccc2c(-c3c(F)c(F)c(F)c(F)c3C(=O)O)c3ccc4cc(O)ccc4c3oc-2c1,O,571.0
8403,COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2c1ccc1cccc(N)c12,O,598.0
8404,COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2c1ccc1cccc(O)c12,O,567.0
8405,COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2c1ccc1cccc(OC)c12,O,568.0
10110,C[N+](C)=c1ccc2c(-c3c(F)c(F)c(F)c(F)c3C(=O)[O-])c3ccc4cc([O-])ccc4c3oc-2c1,O,603.0
10112,C[N+](C)=c1ccc2c(-c3ccccc3C(=O)O)c3cc(F)c4cc(O)ccc4c3oc-2c1,O,575.0
10113,C[N+](C)=c1ccc2c(-c3ccccc3C(=O)O)c3ccc4c(F)c(O)ccc4c3oc-2c1,O,582.0
10115,C[N+](C)=c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc4cc(N)ccc4c3oc-2c1,O,564.0
10116,C[N+](C)=c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc4cc([O-])ccc4c3oc-2c1,O,573.0
6953,CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3ccc4cc(O)ccc4c3oc-2c1,O,550.0
4259,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc(-c4sc(-c5sc(/C=C(\C#N)C(=O)O)c6c5OCCO6)c5c4OCCO5)cc3)cc2)c(OCCCCCC)c1,ClCCl,533.0
3382,CCCCCCCCN1C(=O)/C(=c2\s/c(=c3/c(=Cc4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)sc(=O)n3CC(=O)O)c(=O)n2-c2ccccc2)SC1=S,ClC(Cl)Cl,570.0
8014,CN1CC2CCCN2c2cc3c(cc21)C(c1ccccc1C(=O)[O-])=c1cc2c4c(c1O3)CCC[N+]=4CCC2,O,586.0
1917,CC1(C)c2ccccc2N(c2ccccc2)c2ccc(S(=O)(=O)c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccccc3)cc21,Cc1ccccc1,340.6354515
5209,CCCCCn1c2ccc(/C=N\c3ccc(C(=O)O)cc3)cc2c2cc(/C=C(\C#N)c3ccc(/C=N/c4ccc(C(=O)O)cc4)s3)ccc21,CN(C)C=O,426.0
15196,c1ccc(C(=C(c2ccccc2)c2ccc(-c3nc4c(-c5ccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)cc5)sc(-c5ccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)cc5)c4nc3-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1,Cc1ccccc1,538.0
15196,c1ccc(C(=C(c2ccccc2)c2ccc(-c3nc4c(-c5ccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)cc5)sc(-c5ccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)cc5)c4nc3-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1,ClCCl,520.0
9942,COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,C1CCOC1,313.0
9942,COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,CC(C)O,311.0
9942,COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,CO,309.0
9942,COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,CS(C)=O,315.0
9942,COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,ClC(Cl)Cl,314.0
9942,COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,ClCCl,313.0
9955,COc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(C)cc2)c1-c1ccccc1OC,CC(C)O,285.0
9955,COc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(C)cc2)c1-c1ccccc1OC,CCCCCC,285.0
9955,COc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(C)cc2)c1-c1ccccc1OC,CO,284.0
9955,COc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(C)cc2)c1-c1ccccc1OC,CS(C)=O,286.0
9955,COc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(C)cc2)c1-c1ccccc1OC,ClCCl,286.0
11009,Cc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,C1CCOC1,314.0
11009,Cc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,CC(C)O,309.0
11009,Cc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,CCCCCC,314.0
11009,Cc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,CO,309.0
11009,Cc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,CS(C)=O,313.0
11009,Cc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,ClCCl,311.0
11015,Cc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,C1CCOC1,307.0
11015,Cc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,CC(C)O,303.0
11015,Cc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,CO,303.0
11015,Cc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,CS(C)=O,306.0
11015,Cc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,ClC(Cl)Cl,310.0
11015,Cc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1,ClCCl,309.0
9124,COc1ccc(-c2nc(-c3ccccc3O)c(-c3ccccc3O)n2-c2ccc(C)cc2)cc1,C1CCOC1,305.0
9124,COc1ccc(-c2nc(-c3ccccc3O)c(-c3ccccc3O)n2-c2ccc(C)cc2)cc1,CS(C)=O,308.0
9124,COc1ccc(-c2nc(-c3ccccc3O)c(-c3ccccc3O)n2-c2ccc(C)cc2)cc1,ClC(Cl)Cl,304.0
9124,COc1ccc(-c2nc(-c3ccccc3O)c(-c3ccccc3O)n2-c2ccc(C)cc2)cc1,ClCCl,304.0
10628,Cc1cc(=O)oc2ccc3ccc(-c4cn(Cc5ccccc5)nn4)cc3c12,CCO,352.0
11228,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(C#N)nc4)c4nccnc34)cc2)cc1,ClCCl,419.0
14322,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)s1,CS(C)=O,483.0
14322,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)s1,Cc1ccccc1,457.0
14322,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)s1,ClCCl,470.0
14320,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccc(Br)cc2)s1,C1CCOC1,455.0
14320,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccc(Br)cc2)s1,CC#N,466.0
10984,Cc1ccc(-c2nc(N3CCOCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,C1CCOC1,468.0
10984,Cc1ccc(-c2nc(N3CCOCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CC#N,468.0
10984,Cc1ccc(-c2nc(N3CCOCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CCCCCC,434.0
10984,Cc1ccc(-c2nc(N3CCOCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,CS(C)=O,490.0
10984,Cc1ccc(-c2nc(N3CCOCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,Cc1ccccc1,465.0
10984,Cc1ccc(-c2nc(N3CCOCC3)sc2-c2ccc([N+](=O)[O-])s2)cc1,ClCCl,474.0
14320,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccc(Br)cc2)s1,CCCCCC,432.0
14320,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccc(Br)cc2)s1,CS(C)=O,479.0
14320,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccc(Br)cc2)s1,Cc1ccccc1,456.0
14320,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccc(Br)cc2)s1,ClCCl,464.0
14322,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)s1,C1CCOC1,462.0
14322,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)s1,CC#N,468.0
14322,O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)s1,CCCCCC,433.0
4987,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)s2)sc1-c1ccc(/C=C(\C#N)C(=O)O)cc1,ClCCl,410.0
8573,CO[B-]1(OC)N2C=C(Br)C=CC2=N[N+]1=C(C)C,CC(C)=O,407.0
8573,CO[B-]1(OC)N2C=C(Br)C=CC2=N[N+]1=C(C)C,CO,403.0
8573,CO[B-]1(OC)N2C=C(Br)C=CC2=N[N+]1=C(C)C,Cc1ccccc1,410.0
8573,CO[B-]1(OC)N2C=C(Br)C=CC2=N[N+]1=C(C)C,ClCCl,406.0
8573,CO[B-]1(OC)N2C=C(Br)C=CC2=N[N+]1=C(C)C,O,404.0
8574,CO[B-]1(OC)N2C=C(I)C=CC2=N[N+]1=C(C)C,CO,400.0
1329,CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,CC(C)=O,403.0
1329,CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,CO,403.0
1329,CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,Cc1ccccc1,406.0
1329,CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,ClCCl,408.0
1329,CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,O,404.0
1330,CC(C)=[N+]1N=C2C=CC(I)=CN2[B-]1(F)F,CO,400.0
4320,CCCCCCOc1ccc(C(c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)s5)cc4)ccc2n3CCCCCC)cc1,C1CCOC1,497.0
9810,COc1ccc2cc(/C=C/c3ccc4ccccc4[nH+]3)ccc2c1,ClC(Cl)Cl,428.0
10194,C[Si](C)(C)c1sc([Si](C)(C)C)c2c1sc1ccsc12,ClC(Cl)Cl,310.0
12479,N#C/C(=C\c1ccc(-c2ccc(N3CCCCC3)s2)s1)C(=O)O,CC#N,452.0
12069,F[B-]1(F)n2c(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)ccc2C(c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)=C2C=CC(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)=[N+]21,C1CCOC1,666.0
12317,N#C/C(=C/c1sc(-c2ccc(N(c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)c3ccc(-c4sc(/C=C(/C#N)C(=O)O)c5c4OCCO5)cc3)cc2)c2c1OCCO2)C(=O)O,CCO,516.0
2343,CCC1(CC)c2cc(C#Cc3ccc(/C=C(\C#N)C(=O)O)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,384.0
2348,CCC1(CC)c2cc(C#Cc3cccc(/C=C(\C#N)C(=O)O)c3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,375.0
7599,CN(C)c1ccc(C=C2Oc3cccc(O)c3C2=O)cc1,CC#N,449.0
2902,CCCCCCC1(CCCCCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N6c7ccccc7Oc7ccccc76)ccc4-5)nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N6c7ccccc7Oc7ccccc76)ccc4-5)n3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21,C1CCOC1,391.0
562,C=c1c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n(CC)c(=C)c2c(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)n1CC,CCO,455.0
12593,N#C/C(=C\c1ccc2c(c1)Sc1ccccc1N2Cc1ccc(CN2c3ccccc3Sc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1)C(=O)O,C1CCOC1,439.0
11460,Cc1ccc2c3ccc(C(C)(C)C)cc3n[n+](-c3cccc(C(C)(C)C)c3)c2c1,ClCCl,462.0
1303,CC(C)(C)c1cccc(-[n+]2nc3cc(C(C)(C)C)ccc3c3cc(Br)ccc32)c1,ClCCl,395.0
1304,CC(C)(C)c1cccc(-[n+]2nc3cc(C(C)(C)C)ccc3c3cc(Cl)ccc32)c1,ClCCl,393.0
1305,CC(C)(C)c1cccc(-[n+]2nc3cc(C(C)(C)C)ccc3c3cc(F)ccc32)c1,ClCCl,382.0
1307,CC(C)(C)c1cccc(-[n+]2nc3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1,ClCCl,445.0
1280,CC(C)(C)c1ccc2c(c1)n[n+](-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc21,ClCCl,443.0
1309,CC(C)(C)c1cccc(-[n+]2nc3cc(C(C)(C)C)ccc3c3ccccc32)c1,ClCCl,434.0
8782,COc1cc(OC)c2n[n+](-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3c2c1,ClCCl,480.0
9775,COc1ccc2c3ccc(C(C)(C)C)cc3n[n+](-c3cccc(C(C)(C)C)c3)c2c1,ClCCl,477.0
1485,CC(C)c1cccc(-[n+]2nc3cc(C(C)C)ccc3c3ccccc32)c1,ClCCl,438.0
9784,COc1ccc2c3ccccc3n[n+](-c3ccccc3)c2c1,ClCCl,472.0
11455,Cc1ccc2c(c1)c1ccc(C(C)(C)C)cc1n[n+]2-c1cccc(C(C)(C)C)c1,ClCCl,392.0
990,CC(C)(C)c1ccc(-[n+]2nc3ccccc3c3ccccc32)cc1,ClCCl,382.0
14917,c1ccc(-[n+]2nc3ccccc3c3ccccc32)cc1,ClCCl,383.0
7110,CCn1c(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1,CCOC(C)=O,326.0
15458,c1ccc2c(c1)cc1ccc3c4cc5cc6ccc7c8ccccc8cc8ccc(c5cc4cc4ccc2c1c43)c6c87,Clc1ccccc1Cl,620.0
13305,Nc1c(Oc2ccc(C(=O)O)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O,CO,518.0
4507,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5c4OCCO5)c4nsnc34)cc2)cc1,ClCCl,526.0
11554,Cc1cccc2[n+]1[B-](c1ccccc1)(c1ccccc1)c1cccc3c4c5c(cccc5c-2c13)[B-](c1ccccc1)(c1ccccc1)[n+]1c(C)cccc1-4,ClCCl,542.0
4233,CCCCCCOc1ccc(-c2cc3c(s2)N(CCCCCC)c2ccc(/C=C(\C#N)C(=O)O)cc2S3)cc1,ClCCl,543.0
6708,CCOC(=O)c1c2c(c3n1CCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,CO,435.0
6708,CCOC(=O)c1c2c(c3n1CCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,Cc1ccccc1,435.0
6708,CCOC(=O)c1c2c(c3n1CCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,ClCCl,435.0
12462,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)cc2)s1)C(=O)O,ClCCl,461.0
306,C(=C1c2ccccc2-c2ccccc21)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1,C1CCOC1,365.0
12212,Fc1ccc(C2=C(c3ccc(F)cc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,490.0
15213,c1ccc(C2=C(c3ccccc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,494.0
18,Brc1cc2nc3cc4c5c(cccc5c3nc2cc1Br)C(c1ccccc1)=C(c1ccccc1)O4,ClCCl,518.0
9412,COc1ccc(C2=C(c3ccc(OC)cc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,500.0
11775,Clc1ccc(C2=C(c3ccc(Cl)cc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,489.0
38,Brc1ccc(C2=C(c3ccc(Br)cc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,488.0
11497,Cc1ccc2nc3cc4c5c(cccc5c3nc2c1)C(c1ccccc1)=C(c1ccccc1)O4,ClCCl,491.0
11125,Cc1ccc(C2=C(c3ccc(C)cc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,498.0
14902,c1cc2ccc3cccc4c(-c5cc(-c6nccs6)nc(-c6nccs6)c5)cc(c1)c2c34,CO,365.0
14902,c1cc2ccc3cccc4c(-c5cc(-c6nccs6)nc(-c6nccs6)c5)cc(c1)c2c34,ClC(Cl)Cl,351.0
14902,c1cc2ccc3cccc4c(-c5cc(-c6nccs6)nc(-c6nccs6)c5)cc(c1)c2c34,CC#N,367.0
14902,c1cc2ccc3cccc4c(-c5cc(-c6nccs6)nc(-c6nccs6)c5)cc(c1)c2c34,CCCCCC,344.0
12017,F[B-]1(F)N2C=CN=CC2=[N+]2[N+]1=Cc1c(-c3ccccc3)cc(-c3ccccc3)n1[B-]2(F)F,ClCCl,528.0
8974,COc1ccc(-c2cc(-c3ccccc3)c3n2[B-](F)(F)[N+]2=C4C=NC=CN4[B-](F)(F)[N+]2=C3)cc1,ClCCl,534.0
10388,Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(C)[o+]1,ClCCl,402.0
14377,O=[N+]([O-])c1ccc2c(c1)-c1c3c(c4c([n+]1[B-](F)(F)O2)CCc1ccccc1-4)CCc1ccccc1-3,ClCCl,343.0
12049,F[B-]1(F)Oc2ccc(Br)cc2-c2c3c(c4c([n+]21)CCc1ccccc1-4)CCc1ccccc1-3,ClCCl,347.0
6921,CCOc1cccc2c1O[B-](F)(F)[n+]1c3c(c4c(c1-2)-c1ccccc1CC4)-c1ccccc1CC3,ClCCl,343.0
12051,F[B-]1(F)Oc2ccccc2-c2c3c(c4c([n+]21)CCc1ccccc1-4)CCc1ccccc1-3,ClCCl,347.0
15175,c1ccc(-n2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc2-c2ccccn2)cc1,ClCCl,329.0
12890,N#CC1=C2C=CC=CN2[B-](F)(F)[n+]2cc(-c3ccc(N4c5ccccc5Sc5cc(/C=C(/C#N)C(=O)O)ccc54)cc3)ccc21,C1CCOC1,458.0
14037,O=C1c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2C(=O)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21,Cc1ccccc1,464.0
2822,CCCCCC(CC)N1C(=O)C2=C(c3ccc(-c4ccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(C(CC)CCCCC)c5c4)c4ccccc4n7C(CC)CCCCC)cc3)N(C(CC)CCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1,ClCCl,508.0
3532,CCCCCCCCOc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(OCCCCCCCC)cc4)cc4c5cc(-c6ccc(-c7ccc(C(=O)O)cc7)c7nsnc67)ccc5n-3c24)cc1,ClC(Cl)Cl,449.0
4154,CCCCCCOc1c(OC)cc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3ccc5c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-5)=C3/C=CC2=N3)/C(c2cc(OC)c(COCCCCC)c(OC)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(/C=C(/C#N)C(=O)O)s2)cc1OC,ClCCl,638.0
4155,CCCCCCOc1c(OC)cc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3ccc5c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-5)=C3/C=CC2=N3)/C(c2cc(OC)c(COCCCCC)c(OC)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(C=C(C(=O)O)C(=O)O)s2)cc1OC,ClCCl,632.0
12575,N#C/C(=C\c1ccc(O)c(O)c1)c1ccc(-c2cccs2)s1,CCO,411.0
11410,Cc1ccc2/c(=C/c3ccc(N(C)C)cc3)o/c(=C\c3ccccc3)c2c1,ClCCl,407.0
9967,COc1ccccc1/C=c1\o/c(=C\c2ccc(N(C)C)cc2)c2ccccc12,ClCCl,406.0
9968,COc1ccccc1/C=c1\o/c(=C\c2ccccc2)c2ccccc12,ClCCl,376.0
9313,COc1ccc(/C=c2\o/c(=C\c3ccc(N(C)C)cc3)c3cc(OC)c(OC)cc23)cc1,ClCCl,409.0
9314,COc1ccc(/C=c2\o/c(=C\c3ccc(N(C)C)cc3)c3ccccc23)cc1,ClCCl,407.0
9315,COc1ccc(/C=c2\o/c(=C\c3ccccc3)c3ccccc23)c(OC)c1,ClCCl,386.0
9316,COc1ccc(/C=c2\o/c(=C\c3ccccc3)c3ccccc23)cc1,ClCCl,376.0
1074,CC(C)(C)c1ccc(/C=c2\o/c(=C\c3ccccc3)c3ccccc23)cc1,ClCCl,375.0
9317,COc1ccc(/C=c2\o/c(=C\c3ccccc3)c3ccccc23)cc1OC,ClCCl,380.0
11075,Cc1ccc(/C=c2\o/c(=C\c3ccccc3)c3ccccc23)cc1,ClCCl,373.0
11074,Cc1ccc(/C=c2\o/c(=C\c3ccc(N(C)C)cc3)c3ccccc23)cc1,ClCCl,405.0
10048,CSc1ccc(/C=c2\o/c(=C\c3ccccc3)c3ccccc23)cc1,ClCCl,386.0
7472,CN(C)c1ccc(/C=c2\o/c(=C\c3ccc(C#N)cc3)c3ccccc23)cc1,ClCCl,438.0
7473,CN(C)c1ccc(/C=c2\o/c(=C\c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1,ClCCl,408.0
7474,CN(C)c1ccc(/C=c2\o/c(=C\c3ccc(Cl)cc3)c3ccccc23)cc1,ClCCl,413.0
7475,CN(C)c1ccc(/C=c2\o/c(=C\c3ccc(F)cc3)c3cc(F)ccc23)cc1,ClCCl,396.0
7477,CN(C)c1ccc(/C=c2\o/c(=C\c3cccc(Cl)c3)c3ccccc23)cc1,ClCCl,407.0
7478,CN(C)c1ccc(/C=c2\o/c(=C\c3ccccc3)c3cc(Cl)ccc23)cc1,ClCCl,406.0
7479,CN(C)c1ccc(/C=c2\o/c(=C\c3ccccc3)c3ccccc23)cc1,ClCCl,404.0
7480,CN(C)c1ccc(/C=c2\o/c(=C\c3ccccc3Cl)c3ccccc23)cc1,ClCCl,402.0
4586,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3CC4C(S3)C3SC5C(CCCCCC)C(/C=C(\C#N)C(=O)O)SC5C3N4c3ccc(OCCCCCC)cc3)cc2)cc1,ClCCl,508.0
13600,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)s2)SC1=S,C1CCOC1,472.0
1251,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)C(=O)c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc1C2=O,Cc1ccccc1,463.0
5644,CCCCn1c(-c2ccc(-c3cccs3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,362.0
5640,CCCCn1c(-c2ccc(-c3ccc(C=O)s3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,396.0
12091,F[B-]1(F)n2c(c3ccccc3c2-c2ccccc2)C(c2ccccc2)=C2c3ccccc3C(c3ccccc3)=[N+]21,ClCCl,631.0
9980,COc1ccccc1C1=[N+]2C(=C(c3ccccc3)c3c4ccccc4c(-c4ccccc4OC)n3[B-]2(F)F)c2ccccc21,ClCCl,617.0
2290,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,ClCCl,470.0
2284,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,ClCCl,470.0
11164,Cc1ccc(C2=C3C=CC4=[N+]3[P-](=O)(=O)n3c2ccc3-c2ccc([nH]2)/C(c2ccc(C)cc2)=c2/cc/c(o2)=C(\c2ccc(C)cc2)c2ccc4[nH]2)cc1,ClC(Cl)Cl,708.0
14513,O=c1ccc(-c2cccc(Cl)c2)nn1-c1cnc2ccccc2c1,CS(C)=O,304.0
7016,CC[n+]1c(-c2ccccc2)c2cc(-n3cccc3)ccc2c2ccc(N)cc21,O,462.0
14963,c1ccc(-c2cc3cc4cc(-c5ccccc5)oc4cc3o2)cc1,ClCCl,357.0
12164,Fc1c(F)c(F)c(-c2cc3cc4cc(-c5c(F)c(F)c(F)c(F)c5F)oc4cc3o2)c(F)c1F,ClCCl,354.0
10245,C[Si]1(C)c2ccccc2-c2ccccc21,ClCCl,336.0
1452,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(C)C)cc21,C1CCCCC1,357.0
1452,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(C)C)cc21,CC#N,360.0
1452,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(C)C)cc21,CCO,360.0
1452,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(C)C)cc21,CCOCC,358.0
1452,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(C)C)cc21,CS(C)=O,375.0
1452,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(C)C)cc21,ClCCl,368.0
1452,CC(C)[Si]1(C(C)C)c2cc(C#N)ccc2-c2ccc(N(C)C)cc21,c1ccccc1,360.0
1454,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,C1CCCCC1,480.0
1454,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CC#N,475.0
1454,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CCO,478.0
1454,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CCOCC,469.0
1454,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CS(C)=O,488.0
1454,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,ClCCl,489.0
1454,CC(C)[Si]1(C(C)C)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,c1ccccc1,480.0
1456,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,C1CCCCC1,390.0
1456,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CC#N,391.0
1456,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CCO,395.0
1456,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CCOCC,384.0
1456,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CS(C)=O,400.0
1456,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,ClCCl,397.0
1456,CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,c1ccccc1,392.0
1458,CC(C)[Si]1(C(C)C)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,C1CCCCC1,331.0
1458,CC(C)[Si]1(C(C)C)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CC#N,337.0
1458,CC(C)[Si]1(C(C)C)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CCO,335.0
1458,CC(C)[Si]1(C(C)C)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CCOCC,334.0
1458,CC(C)[Si]1(C(C)C)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CS(C)=O,344.0
1458,CC(C)[Si]1(C(C)C)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,ClCCl,338.0
1458,CC(C)[Si]1(C(C)C)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,c1ccccc1,338.0
1459,CC(C)[Si]1(C(C)C)c2ccccc2-c2ccc(N(C)C)cc21,C1CCCCC1,323.0
1459,CC(C)[Si]1(C(C)C)c2ccccc2-c2ccc(N(C)C)cc21,CC#N,321.0
1459,CC(C)[Si]1(C(C)C)c2ccccc2-c2ccc(N(C)C)cc21,CCO,319.0
1459,CC(C)[Si]1(C(C)C)c2ccccc2-c2ccc(N(C)C)cc21,CCOCC,318.0
1459,CC(C)[Si]1(C(C)C)c2ccccc2-c2ccc(N(C)C)cc21,CS(C)=O,324.0
1459,CC(C)[Si]1(C(C)C)c2ccccc2-c2ccc(N(C)C)cc21,ClCCl,323.0
1459,CC(C)[Si]1(C(C)C)c2ccccc2-c2ccc(N(C)C)cc21,c1ccccc1,323.0
7573,CN(C)c1ccc(C2=Nc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4[n+]3[B-](F)(F)O2)cc1,ClCCl,480.0
2515,CCCC1(CCC)c2ccccc2-c2c1c1c(c3c2C(CCC)(CCC)c2cc(N(c4ccc(-c5ccc(OC)cc5)cc4)c4ccc(-c5sc(/C=C(\C#N)C(=O)O)c6c5OCCO6)cc4)ccc2-3)C(CCC)(CCC)c2ccccc2-1,ClCCl,519.0
1905,CC1(C)c2ccccc2N(c2cccc(S(=O)(=O)c3cccc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21,ClC(Cl)Cl,287.0
1905,CC1(C)c2ccccc2N(c2cccc(S(=O)(=O)c3cccc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21,C1CCOC1,281.0
1905,CC1(C)c2ccccc2N(c2cccc(S(=O)(=O)c3cccc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21,Cc1ccccc1,301.0
7802,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)C3CCC3)cc2)cc1,CS(C)=O,428.0
4172,CCCCCCOc1c2cc(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(C)cc3)sc2c(OCCCCCC)c2cc(-c3ccc(C=C(C#N)C(=O)O)cc3)sc12,ClCCl,460.0
12681,N#CC(=Cc1ccc(-c2ccc(C(=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)C(=O)O,ClCCl,311.0
1210,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)=C2/C=CC(=N2)/C=4c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,590.0
8815,COc1cc2c(=O)c(Cc3ccccc3)coc2cc1O,O,346.0
14442,O=c1c(Cc2ccccc2)coc2cc(O)ccc12,O,335.0
12266,N#C/C(=C/c1cc2sc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6sc(/C=C(\C#N)C(=O)O)cc6s5)cc4)cc3)cc2s1)C(=O)O,CCO,454.0
12686,N#CC(=Cc1ccc(-c2ccc(C(C#N)=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)C(=O)O,ClC(Cl)Cl,437.0
842,CC(C)(C)Nc1c(-c2ccc(-c3cc(=O)cc(-c4ccccc4)o3)cc2)nc2ccccn12,ClCCl,355.0
5520,CCCCSC1=C(SCCCC)SC(=C(C(=C2SC(SCCCC)=C(SCCCC)S2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)S1,C1CCOC1,447.0
5523,CCCCSC1=C(SCCCC)SC(=C(C(=C2SC(SCCCC)=C(SCCCC)S2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)S1,C1CCOC1,447.0
13954,O=C1NC(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(/C=C4\NC(=O)NC4=O)cc3)cc2)N1,C1CCOC1,457.0
10429,Cc1cc(/C=C(/C#N)C(=O)O)c(-c2cc3cc4c5c(c3oc2=O)C(C)(C)CCN5CCC4(C)C)s1,ClC(Cl)Cl,467.0
590,CC(=O)NC(Cc1ccc(O)cc1)C(=O)O[Si]1(OC(=O)C(Cc2ccc(O)cc2)NC(C)=O)n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12,CN(C)C=O,684.0
2522,CCCC1(CCC)c2ccccc2-c2c1c1c(c3c2C(CCC)(CCC)c2ccccc2-3)Cc2cc(N(c3ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)cc3)c3ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)cc3)ccc2-1,ClCCl,501.0
6194,CCN(CC)c1ccc2cc(-c3csc(N)c3C#N)c(=O)oc2c1,C1CCOC1,403.0
6194,CCN(CC)c1ccc2cc(-c3csc(N)c3C#N)c(=O)oc2c1,CO,406.0
6194,CCN(CC)c1ccc2cc(-c3csc(N)c3C#N)c(=O)oc2c1,CS(C)=O,406.0
6194,CCN(CC)c1ccc2cc(-c3csc(N)c3C#N)c(=O)oc2c1,Cc1ccccc1,403.0
6194,CCN(CC)c1ccc2cc(-c3csc(N)c3C#N)c(=O)oc2c1,ClCCl,407.0
6195,CCN(CC)c1ccc2cc(-c3csc(NC(C)=O)c3C#N)c(=O)oc2c1,CO,404.0
6195,CCN(CC)c1ccc2cc(-c3csc(NC(C)=O)c3C#N)c(=O)oc2c1,CS(C)=O,394.0
6195,CCN(CC)c1ccc2cc(-c3csc(NC(C)=O)c3C#N)c(=O)oc2c1,Cc1ccccc1,402.0
2585,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4-c4ccccc4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C)cc1,C1CCOC1,500.0
2585,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4-c4ccccc4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C)cc1,Cc1ccccc1,500.0
2585,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4-c4ccccc4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C)cc1,ClC(Cl)Cl,500.0
2585,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4-c4ccccc4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C)cc1,ClCCl,500.0
13597,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(-c4ccc(-c5cc6c7c(c5)CCCN7CCC6)cc4)s3)s2)SC1=S,CCO,501.0
3501,CCCCCCCCOc1ccc(-c2c(-c3c(-c4ccc(OCCCCCCCC)cc4)n(CCCCCCCC)c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)cc34)c3cc(-c4ccc(/C=C(/C#N)C(=O)O)s4)ccc3n2CCCCCCCC)cc1,C1CCOC1,459.0
5840,CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCCCC(=O)COc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc(N(c3ccccc3)c3ccccc3)cc1)Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1cc(C(C)(C)C)cc(c1OCCCCCC(=O)COc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc(N(c3ccccc3)c3ccccc3)cc1)C2,ClCCl,451.0
2740,CCCCC(CC)Cn1c2ccccc2c2c(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)c3c(c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)c21)c1ccccc1n3CC(CC)CCCC,ClCCl,419.0
2740,CCCCC(CC)Cn1c2ccccc2c2c(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)c3c(c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)c21)c1ccccc1n3CC(CC)CCCC,CN(C)C=O,473.0
12544,N#C/C(=C\c1ccc(C=Cc2ccc(N(c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)cc2)s1)C(=O)O,ClCCl,480.0
15472,c1ccc2c(c1)nc1c3ccccc3c3cccnc3n21,CC#N,330.0
15112,c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,Cc1ccccc1,345.0
11202,Cc1ccc(N(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2c(C)cc(C)cc2C)=C2/C=CC(=N2)/C=4N(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,636.0
6330,CCN1/C(=C\C=C\C=C\C=C\c2oc3ccccc3[n+]2CC)Oc2ccccc21,CCO,687.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,Cc1ccccc1,505.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,ClCCl,529.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,OCC(F)(F)F,584.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,S=C=S,530.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,c1ccccc1,510.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,c1ccncc1,534.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CC#N,510.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CC(C)=O,515.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CC(C)O,535.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCCCCC,457.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCCCO,543.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCCO,541.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCO,538.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCOC(C)=O,495.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCOCC,494.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CN(C)C=O,532.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CO,523.0
13868,O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CS(C)=O,539.0
15307,c1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4cc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,511.0
9626,COc1ccc(N2c3ccc4ccccc4c3-c3c4ccccc4cc[n+]3[B-]2(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,520.0
11573,Cc1ccccc1-c1c2ccc(=[N+]3CCOCC3)cc-2oc2cc(N3CCOCC3)ccc12,CCO,556.0
11573,Cc1ccccc1-c1c2ccc(=[N+]3CCOCC3)cc-2oc2cc(N3CCOCC3)ccc12,ClCCl,554.0
6989,CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,647.0
4248,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc(COCCC[C@H](C)[C@@H]5CC[C@@H]6[C@H]7[C@@H](O)CC8C[C@@H](O)CC[C@@]8(C)[C@@H]7CC[C@@]56C)c(-c5ccc(/C=C(\C#N)C(=O)O)o5)s4)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,489.0
5849,CCCOc1ccc(-c2ccc(N(c3ccc(-c4cc(COCCC[C@H](C)[C@@H]5CC[C@@H]6[C@H]7[C@@H](O)CC8C[C@@H](O)CC[C@@]8(C)[C@@H]7CC[C@@]56C)c(-c5ccc(/C=C(\C#N)C(=O)O)o5)s4)cc3)c3ccc(-c4ccc(OCCC)cc4OCCC)cc3)cc2)c(OCCC)c1,ClCCl,492.0
154,C(#Cc1ccccc1)C1=CC=CN2B1C=Cc1c2ccc2ccccc12,C1CCCCC1,348.0
8379,COC(=O)c1ccc(C2=C3C=c4sc(-c5cccs5)cc4=[N+]3[B-](F)(F)n3c2cc2sc(-c4cccs4)cc23)cc1,ClCCl,684.0
10792,Cc1cc(C2=C(c3c(C)sc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)c3C)C(F)(F)C(F)(F)C2(F)F)c(C)s1,C1CCOC1,336.0
11647,Cc1csc(C)c1C1=C(c2c(C)sc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)c2C)C(F)(F)C(F)(F)C1(F)F,C1CCOC1,339.0
12704,N#CC(=Cc1ccc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)Cc2ccccc2-3)o1)C(=O)O,CN(C)C=O,424.0
12751,N#CC(=Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClCCl,457.0
9547,COc1ccc(N(c2ccc(C#Cc3ccc(/C=C(\C#N)C(=O)O)s3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,475.0
1879,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)o3)cc2)c2ccccc21,Cc1ccccc1,341.0
14418,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1,CC#N,321.0
14418,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1,CO,321.0
14418,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1,O,318.0
14418,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1,C1COCCO1,322.0
9769,COc1ccc2c3c(c4ccc(OC)cc4c2c1)C(C)(C)c1ccc2ccccc2c1-3,C1CCCCC1,391.0
11233,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccncc4)c4nsnc34)cc2)cc1,ClCCl,461.0
11888,Cn1c2ccccc2c2cc(/C=C/C3=[O+][B-](F)(F)OC(/C=C/c4ccc5c(c4)c4ccccc4n5C)=C3c3ccccc3)ccc21,ClCCl,565.0
7423,CN(C)c1ccc(/C=C/c2cc3ccccc3c[n+]2C)cc1,CC(C)=O,425.0
7423,CN(C)c1ccc(/C=C/c2cc3ccccc3c[n+]2C)cc1,ClCCl,441.0
6865,CCOC1CCN2c3c1cc(-c1sc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)c4c1OCCO4)cc3C(OCC)CC2C(C)C,CCO,506.0
14874,c1cc2cc(c1)c1cccc(c1)c1ccc3ccc4ccc(cc4c3c1)c1cccc(c1)c1cccc2c1,Cc1ccccc1,343.0
4314,CCCCCCOc1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc(OCCCCCC)c(OCCCCCC)c5)s4)c4nsnc34)s2)cc1OCCCCCC,C1CCCCC1,507.0
4314,CCCCCCOc1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc(OCCCCCC)c(OCCCCCC)c5)s4)c4nsnc34)s2)cc1OCCCCCC,CCOC(C)=O,496.0
4314,CCCCCCOc1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc(OCCCCCC)c(OCCCCCC)c5)s4)c4nsnc34)s2)cc1OCCCCCC,CN(C)C=O,500.0
4314,CCCCCCOc1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc(OCCCCCC)c(OCCCCCC)c5)s4)c4nsnc34)s2)cc1OCCCCCC,COc1ccccc1,502.0
4314,CCCCCCOc1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc(OCCCCCC)c(OCCCCCC)c5)s4)c4nsnc34)s2)cc1OCCCCCC,Cc1ccccc1,500.0
4314,CCCCCCOc1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc(OCCCCCC)c(OCCCCCC)c5)s4)c4nsnc34)s2)cc1OCCCCCC,ClC(Cl)Cl,504.0
4314,CCCCCCOc1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc(OCCCCCC)c(OCCCCCC)c5)s4)c4nsnc34)s2)cc1OCCCCCC,ClCCCl,501.0
4314,CCCCCCOc1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc(OCCCCCC)c(OCCCCCC)c5)s4)c4nsnc34)s2)cc1OCCCCCC,ClCCl,500.0
1282,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4c(Br)ccc2c43)=C1C#N,C1CCOC1,539.0
1282,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4c(Br)ccc2c43)=C1C#N,CC#N,532.0
1282,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4c(Br)ccc2c43)=C1C#N,CCCCCC,542.0
1282,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4c(Br)ccc2c43)=C1C#N,Cc1ccccc1,543.0
1282,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4c(Br)ccc2c43)=C1C#N,ClCCl,538.0
1284,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4cccc2c43)=C1C#N,C1CCOC1,525.0
1284,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4cccc2c43)=C1C#N,CC#N,519.0
1284,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4cccc2c43)=C1C#N,CCCCCC,529.0
1284,CC(C)(C)c1ccc2c(c1)sc1[n+]2[B-](F)(F)n2c(c3cccc4cccc2c43)=C1C#N,Cc1ccccc1,529.0
15420,c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)C1(CCCC1)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2,Cc1ccccc1,308.0
9328,COc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(OC)cc3)c3cc4ccccc4cc23)cc1,ClCCl,559.0
1516,CC(C)n1nc(/C=C/c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,O,356.0
1516,CC(C)n1nc(/C=C/c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,CC#N,367.0
1516,CC(C)n1nc(/C=C/c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,Cc1ccccc1,367.0
6384,CCN1C(=O)C(C2C(=O)c3c4ccccc4cc4cc5ccccc5c2c34)C(=O)N(CC)C1=S,ClCCl,532.1074139
7056,CCc1c(CC)c(CC)n2c(c1CC)c(C=O)c1cc(Br)ccc12,CC#N,405.0
7056,CCc1c(CC)c(CC)n2c(c1CC)c(C=O)c1cc(Br)ccc12,CS(C)=O,408.0
7057,CCc1c(CC)c(CC)n2c(c1CC)c(C=O)c1ccccc12,CC#N,406.0
7057,CCc1c(CC)c(CC)n2c(c1CC)c(C=O)c1ccccc12,CS(C)=O,409.0
5872,CCCc1c(CCC)c(CCC)n2c(c1CCC)c(C=O)c1cc(Br)ccc12,CC#N,406.0
5872,CCCc1c(CCC)c(CCC)n2c(c1CCC)c(C=O)c1cc(Br)ccc12,CS(C)=O,409.0
5873,CCCc1c(CCC)c(CCC)n2c(c1CCC)c(C=O)c1cc(OC)ccc12,CC#N,400.0
5873,CCCc1c(CCC)c(CCC)n2c(c1CCC)c(C=O)c1cc(OC)ccc12,CS(C)=O,401.0
5874,CCCc1c(CCC)c(CCC)n2c(c1CCC)c(C=O)c1ccccc12,CC#N,408.0
5874,CCCc1c(CCC)c(CCC)n2c(c1CCC)c(C=O)c1ccccc12,CS(C)=O,410.0
9053,COc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC)cc4)ccc2n3-c2ccc(C(=O)c3ccc4sc5ccccc5c4c3)cn2)cc1,Cc1ccccc1,382.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,C1COCCO1,344.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,CC#N,337.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,CCCCCC,341.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,CCCCOCCCC,340.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,CCN(CC)CC,341.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,CCOC(C)=O,339.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,CCOCC,340.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,CN(C)C=O,342.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,Cc1ccccc1,345.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,ClC(Cl)Cl,340.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,ClC=C(Cl)Cl,343.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,ClCCl,340.0
15145,c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc5)cc4)cc3)nc3ccccc32)cc1,C1CCOC1,341.0
7943,CN1/C(=C\C=C\C=C\C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)C(C)(C)c2ccccc21,CC#N,771.0
12126,F[B-]1(F)n2c3[n+](c4ccccc42)[B-](F)(F)n2c(cc4c2CCCC4)C3=C2C=C3CCCCC3=[N+]21,ClCCl,622.0
8641,COc1c2ccccc2c(OC)c2c1c1ccccc1n2C,C1CCCCC1,405.0
8641,COc1c2ccccc2c(OC)c2c1c1ccccc1n2C,CC#N,406.0
8641,COc1c2ccccc2c(OC)c2c1c1ccccc1n2C,CO,405.0
8641,COc1c2ccccc2c(OC)c2c1c1ccccc1n2C,ClCCl,409.0
9761,COc1ccc2c3c(OC)c4ccccc4c(OC)c3n(C)c2c1,CC#N,393.0
9761,COc1ccc2c3c(OC)c4ccccc4c(OC)c3n(C)c2c1,CO,392.0
9740,COc1ccc2c(c1)c1c(OC)c3ccccc3c(OC)c1n2C,C1CCCCC1,421.0
9740,COc1ccc2c(c1)c1c(OC)c3ccccc3c(OC)c1n2C,CC#N,422.0
9740,COc1ccc2c(c1)c1c(OC)c3ccccc3c(OC)c1n2C,CO,421.0
9740,COc1ccc2c(c1)c1c(OC)c3ccccc3c(OC)c1n2C,ClCCl,425.0
9761,COc1ccc2c3c(OC)c4ccccc4c(OC)c3n(C)c2c1,C1CCCCC1,392.0
9761,COc1ccc2c3c(OC)c4ccccc4c(OC)c3n(C)c2c1,ClCCl,396.0
8632,COc1c2ccccc2c(OC)c2c1c1c(C)ccc(OC)c1n2C,C1CCCCC1,417.0
8632,COc1c2ccccc2c(OC)c2c1c1c(C)ccc(OC)c1n2C,CC#N,416.0
8632,COc1c2ccccc2c(OC)c2c1c1c(C)ccc(OC)c1n2C,CO,414.0
8632,COc1c2ccccc2c(OC)c2c1c1c(C)ccc(OC)c1n2C,ClCCl,418.0
8633,COc1c2ccccc2c(OC)c2c1c1c(F)cccc1n2C,C1CCCCC1,403.0
8633,COc1c2ccccc2c(OC)c2c1c1c(F)cccc1n2C,CC#N,405.0
8633,COc1c2ccccc2c(OC)c2c1c1c(F)cccc1n2C,CO,404.0
8633,COc1c2ccccc2c(OC)c2c1c1c(F)cccc1n2C,ClCCl,406.0
8634,COc1c2ccccc2c(OC)c2c1c1cc(C)ccc1n2C,C1CCCCC1,410.0
8634,COc1c2ccccc2c(OC)c2c1c1cc(C)ccc1n2C,CC#N,412.0
8634,COc1c2ccccc2c(OC)c2c1c1cc(C)ccc1n2C,CO,410.0
8634,COc1c2ccccc2c(OC)c2c1c1cc(C)ccc1n2C,ClCCl,414.0
8635,COc1c2ccccc2c(OC)c2c1c1cc(Cl)ccc1n2C,C1CCCCC1,413.0
8635,COc1c2ccccc2c(OC)c2c1c1cc(Cl)ccc1n2C,CC#N,415.0
8635,COc1c2ccccc2c(OC)c2c1c1cc(Cl)ccc1n2C,CO,414.0
8635,COc1c2ccccc2c(OC)c2c1c1cc(Cl)ccc1n2C,ClCCl,417.0
8636,COc1c2ccccc2c(OC)c2c1c1cc(F)ccc1n2C,C1CCCCC1,415.0
8636,COc1c2ccccc2c(OC)c2c1c1cc(F)ccc1n2C,CC#N,417.0
8636,COc1c2ccccc2c(OC)c2c1c1cc(F)ccc1n2C,CO,416.0
8636,COc1c2ccccc2c(OC)c2c1c1cc(F)ccc1n2C,ClCCl,419.0
8637,COc1c2ccccc2c(OC)c2c1c1ccc(C(F)(F)F)cc1n2C,C1CCCCC1,416.0
8637,COc1c2ccccc2c(OC)c2c1c1ccc(C(F)(F)F)cc1n2C,CC#N,417.0
8637,COc1c2ccccc2c(OC)c2c1c1ccc(C(F)(F)F)cc1n2C,CO,416.0
8637,COc1c2ccccc2c(OC)c2c1c1ccc(C(F)(F)F)cc1n2C,ClCCl,419.0
8638,COc1c2ccccc2c(OC)c2c1c1ccc(C)cc1n2C,C1CCCCC1,402.0
8638,COc1c2ccccc2c(OC)c2c1c1ccc(C)cc1n2C,CC#N,404.0
8638,COc1c2ccccc2c(OC)c2c1c1ccc(C)cc1n2C,CO,401.0
8638,COc1c2ccccc2c(OC)c2c1c1ccc(C)cc1n2C,ClCCl,405.0
8639,COc1c2ccccc2c(OC)c2c1c1ccc(F)cc1n2C,C1CCCCC1,395.0
8639,COc1c2ccccc2c(OC)c2c1c1ccc(F)cc1n2C,CC#N,398.0
8639,COc1c2ccccc2c(OC)c2c1c1ccc(F)cc1n2C,CO,396.0
8639,COc1c2ccccc2c(OC)c2c1c1ccc(F)cc1n2C,ClCCl,398.0
8640,COc1c2ccccc2c(OC)c2c1c1cccc(OC)c1n2C,C1CCCCC1,409.0
8640,COc1c2ccccc2c(OC)c2c1c1cccc(OC)c1n2C,CC#N,409.0
8640,COc1c2ccccc2c(OC)c2c1c1cccc(OC)c1n2C,CO,407.0
8640,COc1c2ccccc2c(OC)c2c1c1cccc(OC)c1n2C,ClCCl,412.0
12678,N#C/C(=C/c1ccc(-c2ccc(C#C[Ru]34(C#Cc5ccc(-n6c7ccccc7c7ccccc76)cc5)([P](c5ccccc5)(c5ccccc5)CC[P]3(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)CC[P]4(c3ccccc3)c3ccccc3)c3nsnc23)cc1)C(=O)O,ClCCl,564.0
738,CC(=O)c1ccn2c3c(c(C)c2c1)CN(C(C)CO)C3=O,ClCCl,396.0
10361,Cc1c2c(n3ccccc13)C(=O)N(C(C)CO)C2,ClCCl,326.0
10360,Cc1c2c(n3ccc(C#N)cc13)C(=O)N(C(C)CO)C2,ClCCl,342.0
7806,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)CCC3CCCC3)cc2)cc1,CS(C)=O,428.0
15451,c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,C1CCOC1,341.0
11878,Cn1c2ccccc2c2c(-c3ccc4ccccc4c3)c3oc4ccccc4c3cc21,CCO,331.0
427,C1=CC2=CC=C3C(c4oc5cccc6[n+]5c4-c4ccccc4-6)=CC=C4C=CC(=C1)C2C43,ClCCl,485.0
4819,CCCCCCc1cc(-c2sc(-c3sc(-c4cc(CCCCCC)c(-c5cc(CCCCCC)c(-c6ccc(N(c7ccc(C(=O)O)cc7)c7ccc(C(=O)O)cc7)cc6)s5)s4)c(CCCCCC)c3CCCCCC)cc2CCCCCC)sc1C=C(C#N)C#N,ClCCl,500.0
3203,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1c2ccccc2c(C#CN(CCCCCCCC)CCCCCCCC)c2ccccc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,691.0
13963,O=C1NC(=O)[C@H]([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1C#Cc1ccc2c(c1)Cc1ccccc1-2,CO,370.0
13963,O=C1NC(=O)[C@H]([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1C#Cc1ccc2c(c1)Cc1ccccc1-2,ClC(Cl)Cl,375.0
13963,O=C1NC(=O)[C@H]([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1C#Cc1ccc2c(c1)Cc1ccccc1-2,O,358.0
7443,CN(C)c1ccc(/C=C/c2cccnn2)cc1,CC#N,369.0
7443,CN(C)c1ccc(/C=C/c2cccnn2)cc1,CS(C)=O,380.0
7443,CN(C)c1ccc(/C=C/c2cccnn2)cc1,ClCCl,365.0
7443,CN(C)c1ccc(/C=C/c2cccnn2)cc1,C1CCOC1,369.0
1361,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4ccc(-c5nc6cc(C(=O)O)c(C(=O)O)cc6nc5-c5ccc(/C=C/c6ccc7c(c6)Sc6ccccc6N7c6ccc(OCCC(C)C)cc6)s5)s4)ccc32)cc1,C1CCOC1,445.0
5735,CCCCn1c2ccc(/C=C3\SC(=O)NC3=O)cc2c2cc(/C=C3\SC(=O)NC3=O)ccc21,C1CCOC1,388.0
5744,CCCCn1c2ccc(C=C3SC(=O)NC3=O)cc2c2cc(C=C3SC(=O)NC3=O)ccc21,C1CCOC1,388.0
5086,CCCCCCn1c2ccc(C=C3SC(=O)NC3=O)cc2c2cc(C=C3SC(=O)NC3=O)ccc21,C1CCOC1,393.0
14030,O=C1c2cc(F)ccc2-c2cnccc21,CCCCCC,408.6090753
11428,Cc1ccc2c(c1)C(=O)c1ccncc1-2,CC#N,408.9490098
11428,Cc1ccc2c(c1)C(=O)c1ccncc1-2,CCCCCC,408.9490098
14068,O=C1c2ccccc2-c2cnccc21,CC#N,397.051302
14068,O=C1c2ccccc2-c2cnccc21,CCCCCC,394.1618587
14030,O=C1c2cc(F)ccc2-c2cnccc21,CC#N,408.6090753
12371,N#C/C(=C\c1ccc(-c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,C1CCOC1,465.0
3683,CCCCCCCC[N+]1=C(/C=C/c2ccc3c(c2)c2ccccc2n3CCCCCC)C(C)(C)c2cc(C(=O)O)ccc21,CCO,514.0
15440,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc3cc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)oc4cc3o2)cc1,ClCCl,357.0
6860,CCOC1=C([O-])C(/C=C2/N(CCC(=O)O)c3ccc(C(=O)O)cc3C2(C)C)C1=O,CCO,425.0
3546,CCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCC)c(OCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCC,C1CCOC1,461.0
3546,CCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCC)c(OCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCC,Cc1ccccc1,461.0
3546,CCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCC)c(OCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCC,ClCCl,461.0
3296,CCCCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCCCC,C1CCOC1,461.0
3296,CCCCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCCCC,Cc1ccccc1,461.0
3296,CCCCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCCCC,ClCCl,461.0
3183,CCCCCCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCCCCCC,ClCCl,461.0
3183,CCCCCCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCCCCCC,C1CCOC1,461.0
3183,CCCCCCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)c3nc4c5ccccc5c5ccccc5c4nc23)cc1OCCCCCCCCCCCC,Cc1ccccc1,461.0
12070,F[B-]1(F)n2c(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)ccc2C(c2ccccc2)=C2C=CC(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)=[N+]21,C1CCOC1,665.0
3010,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=C(C#N)C(=O)O)cc21,C1CCOC1,393.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,C1CCOC1,378.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,C1COCCO1,381.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CC#N,378.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CC(C)=O,373.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CCCCCC,384.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CCOC(C)=O,376.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CN(C)C=O,380.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,CS(C)=O,381.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,Cc1ccccc1,388.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,ClC(Cl)Cl,386.0
3011,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C=O)cc21,ClCCl,384.0
3110,CCCCCCCCCCCCCOc1ccc(N(c2ccc3c(c2)C(CCCC)(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-3)c2ccc3c(c2)C(CCCC)(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-3)cc1,ClCCCl,494.0
1825,CC1(C)c2ccccc2-c2ccc(N(c3ccc(C=C(C#N)C(=O)O)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,Clc1ccccc1,454.0
2768,CCCCC1(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccc(OC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3cc(/C=C(\C#N)C(=O)O)ccc3-4)cc21,ClCCCl,482.0
2770,CCCCC1(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3cc(/C=C(\C#N)C(=O)O)ccc3-4)cc21,ClCCCl,500.0
2771,CCCCC1(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3cc(/C=C(\C#N)C(=O)O)ccc3-4)cc21,ClCCCl,495.0
2420,CCC1=C(C)C2=C(/C=C/Sc3ccccc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,528.0
6993,CC[N+]1=c2cc3c(cc2C(C)=CC1(C)C)=Nc1cc2c(cc1O3)N(CCCC(=O)O)CCC2,O,664.0
3333,CCCCCCCCCOC1Cc2cc(/C=N/N(c3ccccc3)c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)ccc2N(c2ccccc2)C1,C1CCOC1,473.0
5837,CCCOC1Cc2cc(/C=N/N(c3ccccc3)c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)ccc2N(c2ccccc2)C1,C1CCOC1,469.0
4514,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cn3)cc2)cc1,C1CCOC1,426.0
5878,CCCc1cc2ccc3[o+]c(CCC)c(CCC)c4ccc(c1CCC)c2c34,ClCCl,460.0
5987,CCN(CC)c1ccc(/C=N/C(C#N)=C(C#N)/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,565.0
5987,CCN(CC)c1ccc(/C=N/C(C#N)=C(C#N)/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CN(C)C=O,571.0
5987,CCN(CC)c1ccc(/C=N/C(C#N)=C(C#N)/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,ClCCl,570.0
5988,CCN(CC)c1ccc(/C=N/C(C#N)=C(C#N)\N=C\c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,564.0
12626,N#CC(/N=C/c1ccccc1O)=C(C#N)/N=C/c1ccccc1O,CC#N,374.0
3534,CCCCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OCCCCCCCC)cc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)cc2)cc1,ClC(Cl)Cl,408.0
14897,c1cc2ccc3ccc4cc3c2cc1CCCCCCc1ccc2ccc3ccc-4cc3c2c1,Cc1ccccc1,336.0
14017,O=C1O[B-]2(OC1=O)OC(c1ccccc1)=CC(c1ccccc1)=[O+]2,CC#N,384.0
14017,O=C1O[B-]2(OC1=O)OC(c1ccccc1)=CC(c1ccccc1)=[O+]2,ClC(Cl)(Cl)Cl,384.0
11672,Cc1nc2c(ccc3c2sc(/C=C/c2cc4c5c(c2)CCCN5CCC4)[n+]3C)s1,CO,574.0
11672,Cc1nc2c(ccc3c2sc(/C=C/c2cc4c5c(c2)CCCN5CCC4)[n+]3C)s1,ClC(Cl)Cl,595.0
6765,CCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2nc3ccccc3[nH]2)n1,ClC(Cl)Cl,376.33
8339,COC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2nc3ccccc3[nH]2)n1,ClC(Cl)Cl,376.7
8547,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)CCCS(=O)(=O)[O-])C(C)(C)c2c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc21,O,679.0
6327,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CC(C)=O,680.0
6326,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,ClCCl,697.0
6327,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,C1CCOC1,684.0
6327,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CCO,682.0
6326,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,C1CCOC1,683.0
6326,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CC#N,680.0
6326,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CC(C)=O,682.0
6326,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CCO,685.0
6326,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CN(C)C=O,686.0
6326,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CO,681.0
6326,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CS(C)=O,689.0
5301,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,C1CCOC1,685.0
5301,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CC#N,682.0
5301,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CC(C)=O,685.0
5301,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CCO,688.0
5301,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CN(C)C=O,689.0
5301,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CO,683.0
5301,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CS(C)=O,692.0
5301,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,ClCCl,699.0
5302,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,C1CCOC1,684.0
5302,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CC#N,679.0
5302,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CC(C)=O,682.0
5302,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CCO,685.0
5302,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CN(C)C=O,686.0
5302,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CO,681.0
5302,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CS(C)=O,689.0
5302,CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,ClCCl,695.0
6327,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CN(C)C=O,683.0
6327,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CO,678.0
6327,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CS(C)=O,686.0
6327,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,ClCCl,693.0
6327,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CC#N,677.0
3618,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(-c3ccc(C(=O)NN)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccc2c(c1)Sc1cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc1N2CCCCCCCC)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,435.0
3619,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccc2c(c1)Sc1cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc1N2CCCCCCCC)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,435.0
4188,CCCCCCOc1cc(-n2cc(-c3ccc(N(c4ccc(-c5cn(-c6cc(OCCCCCC)c(/C=C(/C#N)C(=O)O)cc6OCCCCCC)nn5)cc4)c4ccc(-c5cn(-c6cc(OCCCCCC)c(/C=C(/C#N)C(=O)O)cc6OCCCCCC)nn5)cc4)cc3)nn2)c(OCCCCCC)cc1/C=C(/C#N)C(=O)O,C1COCCO1,348.0
5715,CCCCn1c2ccc(-c3ccc(-c4ccncc4)s3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21,C1CCOC1,395.0
12185,Fc1ccc(-c2cc3c4c(c2)CCc2cc(-c5ccc(F)cc5)cc(c2-4)CC3)cc1,ClC(Cl)Cl,323.560033
1015,CC(C)(C)c1ccc(-c2cc3c4c(c2)CCc2cc(-c5ccc(C(C)(C)C)cc5)cc(c2-4)CC3)cc1,ClC(Cl)Cl,329.7061683
9013,COc1ccc(-c2cc3c4c(c2)CCc2cc(-c5ccc(OC)cc5)cc(c2-4)CC3)cc1,ClC(Cl)Cl,332.1046601
3552,CCCCCCCCOc1ccc(C2=C(c3ccc(OCCCCCCCC)cc3)C(C)(C)c3ccccc32)cc1,C1CCCCC1,281.0
9399,COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)c3cc(OC)ccc32)cc1,C1CCCCC1,296.0
9401,COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)c3ccccc32)cc1,C1CCCCC1,283.0
14337,O=[N+]([O-])c1ccc(C#Cc2cc3ccccc3cc2C#Cc2ccc([N+](=O)[O-])cc2)cc1,ClCCl,347.0
8883,COc1cc2cc(C#Cc3ccc([N+](=O)[O-])cc3)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1OC,C1CCOC1,361.0
8883,COc1cc2cc(C#Cc3ccc([N+](=O)[O-])cc3)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1OC,ClC(Cl)Cl,362.0
8883,COc1cc2cc(C#Cc3ccc([N+](=O)[O-])cc3)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1OC,ClCCl,360.0
3586,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4sc(-c5ccc(C(=O)O)cc5)c5nccnc45)cc3)cc2)cc1,Cc1ccccc1,511.0
3587,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4sc(-c5ccc(C=C(C#N)C(=O)O)cc5)c5nccnc45)cc3)cc2)cc1,Cc1ccccc1,525.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,ClCCl,383.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,Clc1ccccc1,369.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,C1COCCO1,361.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CC(C)=O,360.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CCN(CC)CC,362.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CCO,361.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CCOC(C)=O,361.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CS(C)=O,362.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,Cc1ccccc1,364.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,ClC(Cl)Cl,367.0
1863,CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,ClCCCl,362.0
1510,CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)B1c1ccccc1,C1CCOC1,280.0
2987,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C(=O)O)cc3)sc2-c2cc(-c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c4nonc34)sc21,ClCCl,560.0
2985,CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)sc2-c2cc(-c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c4nonc34)sc21,ClCCl,568.0
2662,CCCCC(CC)COc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nsnc45)ccc32)cc1,C1CCOC1,476.0
12669,N#CC(=Cc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3nsnc23)s1)C(=O)O,C1CCOC1,474.0
12384,N#C/C(=C\c1ccc(-c2cc3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3s2)s1)C(=O)O,ClCCl,503.0
4180,CCCCCCOc1c2ccccc2c(OCCCCCC)c2cc(N(c3ccccc3)c3ccc4c(c3)Sc3cc(-c5ccc(/C=C(/C#N)C(=O)O)s5)ccc3N4CCCCCC)ccc12,C1CCOC1,448.0
5680,CCCCn1c2cc(-c3ccc(-c4ccc(C=O)cc4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,410.0
5683,CCCCn1c2cc(-c3ccc(-c4cccc(/C=C(\C#N)C(=O)O)c4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,448.0
5684,CCCCn1c2cc(-c3ccc(-c4cccc(C=O)c4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,393.0
8029,CN1c2cc3c(cc2-c2ccccc2C1(C)C)C(c1ccccc1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1ccccc1-2,CO,582.0
5342,CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,582.0
4877,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCC)c(N(c5ccc(OC)cc5)c5ccc(OC)cc5)s4)cc3CCCCCC)s2)s1,ClC(Cl)Cl,475.0
10299,Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O,CCO,500.0
4467,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C(=O)O)s5)c5nsnc45)s3)cc2)cc1,ClCCl,527.0
4159,CCCCCCOc1c(OCCCCCC)c(-c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)s2)c2nsnc2c1-c1ccc(/C=C(\C#N)C(=O)O)s1,C1CCOC1,536.0
5560,CCCC[C@H](CC)COc1ccc(N(c2ccc(OC[C@@H](CC)CCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)s3)cc2)cc1,C1CCOC1,542.0
4473,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nsnc45)s3)cc2)cc1,ClCCl,560.0
4162,CCCCCCOc1c(OCCCCCC)c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2nsnc2c1-c1ccc(/C=C(\C#N)C(=O)O)s1,C1CCOC1,501.0
9568,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(-c5cccs5)c5nsnc45)s3)cc2)cc1,ClC(Cl)Cl,510.0
4479,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5sc(C=C(C#N)C(=O)O)cc5CCCCCC)c5nsnc45)s3)cc2)cc1,ClCCl,522.0
12398,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nsnc23)s1)C(=O)O,C1CCOC1,533.0
4455,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s5)c5nsnc45)s3)cc2)cc1,ClCCl,569.0
4456,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5cc(CCCCCC)c(/C=C/C(=O)O)s5)c5nsnc45)s3)cc2)cc1,ClCCl,539.0
4457,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5cc(CCCCCC)c(C=C(C#N)C(=O)O)s5)c5nsnc45)s3)cc2)cc1,ClCCl,566.0
15254,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5cccs5)c5nsnc45)s3)cc2)cc1,ClC(Cl)Cl,495.0
7282,CN(C)c1cc(-c2ccc(C#Cc3ccncc3)cc2)cc2ccccc12,CC#N,306.2600321
7282,CN(C)c1cc(-c2ccc(C#Cc3ccncc3)cc2)cc2ccccc12,CCO,309.3900482
7282,CN(C)c1cc(-c2ccc(C#Cc3ccncc3)cc2)cc2ccccc12,ClCCl,311.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,C1CCOC1,525.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,C1COCCO1,524.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,CC#N,517.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,CC(C)O,518.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,CCO,516.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,CCOC(C)=O,523.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,CN(C)C=O,526.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,CO,514.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,CS(C)=O,522.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,Cc1ccccc1,527.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,ClC(Cl)Cl,523.0
1937,CC1=C(Cc2ccccc2)C(C)=[N+]2C1=C(C)c1c(C)c(-c3csc(N4CCOCC4)n3)c(C)n1[B-]2(F)F,ClCCl,522.0
6469,CCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(-c3ccc(C(=O)ON4C(=O)C=CC4=O)cc3C(=O)[O-])c2cc1C,CO,524.0
15408,c1ccc2c(c1)OP1(=NP3(=NP(Oc4ccc5ccc6cccc7ccc4c5c67)(Oc4ccc5ccc6cccc7ccc4c5c67)=N1)Oc1ccccc1-c1ccccc1O3)Oc1ccccc1-2,ClCCl,343.0
7239,CCn1c2ccccc2sc2c(C#N)c3[nH]c4ccccc4sc3c(C#N)c21,ClC(Cl)Cl,495.0
4724,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-n5c6cc(-c7ccc(OCC(CC)CCCC)cc7)sc6c6sc(-c7ccc(OCC(CC)CCCC)cc7)cc65)cc4)s3)c3nsnc23)sc1-c1ccc(C(=O)O)cc1,ClCCl,485.0
5633,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)nc2c(-c3cccs3)sc(-c3cccs3)c21,C1CCOC1,404.0
3033,CCCCCCCCCC1(CCCCCCCCC)c2cc(C#Cc3ccc(/C=C/c4ccc(N(CCCCCCCC)CCCCCCCC)cc4)cc3)ccc2-c2ccc(C#Cc3ccc(/C=C/c4ccc(N(CCCCCCCC)CCCCCCCC)cc4)cc3)cc21,Cc1ccccc1,411.0
2775,CCCCC1(CCCC)c2cc(C#Cc3ccc(/C=C(\C)c4ccccc4)cc3)ccc2-c2ccc(C#Cc3ccc(/C=C(\C)c4ccccc4)cc3)cc21,C1CCOC1,365.0
15000,c1ccc(-c2ccc3c4ccc(-c5ccccc5)c5c(-c6ccccc6)ccc(c6ccc(-c7ccccc7)c2c36)c54)cc1,ClCCl,486.0
266,C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,398.0
266,C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,394.0
266,C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCCCCCC,392.0
266,C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CS(C)=O,401.0
266,C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,400.0
12574,N#C/C(=C\c1ccc(O)c(O)c1)c1ccc(-c2ccc(-c3cccs3)s2)s1,CCO,429.0
8763,COc1cc(OC)c(/C=C/c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)s2)c(OC)c1,CN(C)C=O,545.0
10002,COc1cn2cc(-c3ccc(C#N)cc3)[n-][n+]2c1,ClCCl,378.0
13185,N#Cc1cccc(-c2cn3ccc[n+]3[n-]2)c1,ClCCl,327.0
11638,Cc1cn2cc(-c3ccc(C#N)cc3)[n-][n+]2c1,ClCCl,385.0
8349,COC(=O)c1ccc(-c2cn3ccc[n+]3[n-]2)c(C#N)c1,ClCCl,420.0
8350,COC(=O)c1ccc(-c2cn3ccc[n+]3[n-]2)cc1,ClCCl,376.0
13093,N#Cc1ccc(-c2cn3cc(C#N)c[n+]3[n-]2)cc1,ClCCl,360.0
13094,N#Cc1ccc(-c2cn3ccc[n+]3[n-]2)cc1,ClCCl,381.0
8314,COC(=O)c1cc(C#N)c(-c2cn3ccc[n+]3[n-]2)c(C#N)c1,ClCCl,466.0
13199,N#Cc1ccccc1-c1cn2ccc[n+]2[n-]1,ClCCl,376.0
7935,CN1/C(=C/C=N/c2sc3ccccc3[n+]2C)C(C)(C)c2ccccc21,CS(C)=O,469.0
4175,CCCCCCOc1c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4CCCCCC)cc2c(OCCCCCC)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc12,C1CCOC1,504.0
12404,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)s3)s2)s1)C(=O)O,ClCCl,467.0
4995,CCCCCCc1sc(-c2ccc(-c3ccc4c(c3)Sc3cc(/C=C(\C#N)C(=O)O)ccc3N4CCCCCC)s2)c2c1OCCO2,ClCCl,481.0
4908,CCCCCCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(CCCCCC)s5)s4)c4ccc5c(-c6ccc(-c7ccc(CCCCCC)s7)s6)cc(-c6ccc(-c7ccc(CCCCCC)s7)s6)c6ccc3c4c65)s2)s1,ClC(Cl)Cl,451.0
2069,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]21Oc2ccccc2O1,ClC(Cl)Cl,510.0
10731,Cc1cc(C)c(C2=C3C=CC(c4cccc5ccccc45)=[N+]3[B-](F)(F)n3c2ccc3-c2cccc3ccccc23)c(C)c1,ClC(Cl)Cl,538.0
5375,CCCCN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,456.0
4083,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,461.0
5378,CCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,456.0
4063,CCCCCCN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,461.0
13037,N#Cc1cc(-n2c3ccccc3c3cccnc32)c(-n2c3ccccc3c3cccnc32)cc1C#N,Cc1ccccc1,338.0794702
15329,c1ccc([B-]2(c3ccccc3)Oc3ccc4ccccc4c3-c3c4ccccc4cn[n+]32)cc1,Cc1ccccc1,436.0
3493,CCCCCCCCOc1cc2c(cc1OCCCCCCCC)c1cc(-c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c4nsnc34)sc1c1sc(CC(CN)C(O)O)cc21,C1CCOC1,526.0
6624,CCOC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4c5ccccc5c(-c5[nH]c(C)cc5C)n4[B-]3(F)F)C(C)=C2)cc1,ClCCl,680.0
978,CC(C)(C)c1cc2ccc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc4c5nc6cc(C#N)c(C#N)cc6nc5c(c1)c2c34,Cc1ccccc1,500.0
12030,F[B-]1(F)OC(c2ccc(N3CCCC3)cc2)=Cc2cccc[n+]21,ClC(Cl)Cl,438.0
629,CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1cccc(OCCOc2cc(NS(=O)(=O)c3ccc(C4=c5cc6c7c(c5Oc5c4cc4c8c5CCCN8CCC4)CCC[N+]=7CCC6)c(S(=O)(=O)[O-])c3)ccc2N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c1,O,589.0
2904,CCCCCCC1(CCCCCC)c2cc(-c3nc4cc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)cnc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,435.0
14191,O=P1(c2ccccc2)C(c2ccsc2)=C(c2ccsc2)c2ccccc21,C1CCOC1,355.0
10793,Cc1cc(C2=C(c3cc(C)sc3C)P(=O)(c3ccccc3)c3ccccc32)c(C)s1,C1CCOC1,355.0
10364,Cc1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,555.0
5921,CCN(CC)c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,499.0
10087,C[C@H](Nc1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12)C(=O)OC(C)(C)C,ClCCl,462.0
2261,CCC(C)Nc1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,456.0
1088,CC(C)(C)c1ccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)cc1,CC#N,563.0
1088,CC(C)(C)c1ccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)cc1,Cc1ccccc1,591.0
1088,CC(C)(C)c1ccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)cc1,ClCCl,579.0
9403,COc1ccc(C2=C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)=[N+]3C2=C(c2ccc(OC)cc2)c2c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)n2[B-]3(F)F)cc1,C1CCOC1,597.0
12078,F[B-]1(F)n2c(c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=[N+]21,C1CCOC1,573.0
9904,COc1cccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)c1,CC#N,569.0
9904,COc1cccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)c1,Cc1ccccc1,593.0
9904,COc1cccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)c1,ClCCl,583.0
9904,COc1cccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)c1,C1CCCCC1,591.0
9904,COc1cccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4cccc(OC)c4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)c1,C1CCOC1,587.0
1088,CC(C)(C)c1ccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)cc1,C1CCCCC1,589.0
1088,CC(C)(C)c1ccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=C(c2ccccc2)c2c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)cc1,C1CCOC1,585.0
11656,Cc1nc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)n1,Cc1ccccc1,370.0
5627,CCCCn1/c(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc3cccc1c32,CS(C)=O,672.0
4810,CCCCCCc1cc(-c2sc(-c3cc4c(s3)c3ccccc3n4CC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,502.0
4811,CCCCCCc1cc(-c2sc(-c3cc4c(s3)c3ccccc3n4CC)cc2CCCCCC)sc1C=C(C#N)C(=O)O,Cc1ccccc1,502.0
5863,CCCc1c(-c2sc(-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(CCC)(CCC)c4c6c(c7c(c4-5)C(CCC)(CCC)c4ccccc4-7)C(CCC)(CCC)c4ccccc4-6)cc3)c3c2OCCO3)sc2cc(C=C(C#N)C(=O)O)sc12,ClCCl,500.0
10623,Cc1cc(=O)oc2cc3c(cc12)c1c2ccccc2c2ccccc2c1c1c2ccccc2c2ccccc2c31,ClC(Cl)Cl,386.0
6788,CCOC(=O)c1ccc(C(=O)OCC)c(N2CCC2)c1,ClCCl,366.0
6803,CCOC(=O)c1ccc(N2CCC2)cc1,ClCCl,305.0
6831,CCOC(=O)c1ccccc1N1CCC1,ClCCl,331.0
5615,CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc3c(c2)S(=O)(=O)c2cc(N(c4ccc(CCCC)cc4)c4ccc(CCCC)cc4)ccc2-3)cc1,Cc1ccccc1,428.0
5615,CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc3c(c2)S(=O)(=O)c2cc(N(c4ccc(CCCC)cc4)c4ccc(CCCC)cc4)ccc2-3)cc1,ClC(Cl)Cl,436.0
9304,COc1ccc(/C=C/c2ncc(-c3ccccc3)o2)cc1OC,ClCCl,355.0
9080,COc1ccc(-c2cnc(/C=C/c3ccc(C#N)cc3)o2)cc1OC,ClCCl,370.0
9081,COc1ccc(-c2cnc(/C=C/c3ccc(OC)c(OC)c3)o2)cc1,ClCCl,360.0
9082,COc1ccc(-c2cnc(/C=C/c3ccccc3)o2)cc1OC,ClCCl,350.0
13128,N#Cc1ccc(/C=C/c2ncc(-c3ccccc3)o2)cc1,ClCCl,360.0
14345,O=[N+]([O-])c1ccc(C#Cc2ccccc2C#Cc2ccc([N+](=O)[O-])cc2)cc1,CC#N,350.0
157,C(#Cc1ccccc1C#Cc1ccccc1)c1ccccc1,CC#N,310.0
9354,COc1ccc(C#Cc2ccccc2C#Cc2ccc(OC)cc2)cc1,CC#N,320.0
8709,COc1cc(C#Cc2ccccc2)c(C#Cc2ccccc2)cc1OC,CC#N,325.0
1157,CC(C)(C)c1ccc(Oc2cc3c4c(ccc5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(ccc(c2c45)c86)C(=O)OC7=O)C(=O)OC3=O)cc1,ClCCl,544.0
13995,O=C1OC(=O)c2cc(Oc3ccccc3)c3c4ccc5c6c(cc(Oc7ccccc7)c(c7ccc1c2c73)c64)C(=O)OC5=O,CN1CCCC1=O,529.0
13995,O=C1OC(=O)c2cc(Oc3ccccc3)c3c4ccc5c6c(cc(Oc7ccccc7)c(c7ccc1c2c73)c64)C(=O)OC5=O,CN(C)C=O,530.0
13995,O=C1OC(=O)c2cc(Oc3ccccc3)c3c4ccc5c6c(cc(Oc7ccccc7)c(c7ccc1c2c73)c64)C(=O)OC5=O,C1CCOC1,516.0
14158,O=Cc1ccc2nc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c1,Cc1ccccc1,411.0
12315,N#C/C(=C/c1ccc2nc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c1)C(=O)O,ClC(Cl)Cl,411.0
169,C(#Cc1nc2ccccc2s1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,388.0
12868,N#CC(C#N)=Cc1ccc2nc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c1,Cc1ccccc1,457.0
1209,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(C(=O)c2ccncc2)c1,Cc1ccccc1,418.0
13861,O=C(c1ccncc1)c1cc(-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21,Cc1ccccc1,400.0
15185,c1ccc(B2Nc3cc4c(cc3-c3sc5ccccc5c32)NB(c2ccccc2)c2c-4sc3ccccc23)cc1,ClCCl,409.0
4899,CCCCCCc1cc2c3c(c1)c(=C1c4ccccc4Sc4ccccc41)c1cc(CCCCCC)cc4c1-n-3-c1c(cc(CCCCCC)cc1c4=C1c3ccccc3Sc3ccccc31)c2=C1c2ccccc2Sc2ccccc21,ClCCl,430.0
1438,CC(C)[Si](C#Cc1cc2c3c(c1)c(=C1c4ccccc4Sc4ccccc41)c1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4c1-n-3-c1c(cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1c4=C1c3ccccc3Sc3ccccc31)c2=C1c2ccccc2Sc2ccccc21)(C(C)C)C(C)C,ClCCl,428.0
7688,CN(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4nsnc4c3)ccc1-2,CS(C)=O,420.0
7688,CN(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4nsnc4c3)ccc1-2,Cc1ccccc1,413.0
7688,CN(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4nsnc4c3)ccc1-2,ClC(Cl)Cl,414.0
7688,CN(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4nsnc4c3)ccc1-2,O,446.0
7688,CN(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4nsnc4c3)ccc1-2,C1COCCO1,409.0
7688,CN(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4nsnc4c3)ccc1-2,CC#N,404.0
7688,CN(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4nsnc4c3)ccc1-2,CCO,407.0
14587,OCc1cc(/N=N/c2ccc(-c3cccs3)cc2F)ccc1O,CS(C)=O,399.0
14591,OCc1cc(/N=N\c2ccc(-c3cccs3)cc2F)ccc1O,CS(C)=O,321.0
2933,CCCCCCC1=C2C(C)=C(c3ccc(-c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)n4CC)cc3)C(C)=[N+]2[B-](F)(F)n2c(C)c(C=C(C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,531.0
5475,CCCCOc1ccc(-c2cc3c(o2)c(-c2ccc(OCCCC)cc2)c2n3[B-](F)(F)[N+]3=Cc4c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)cc5n4[B-](F)(F)[N+]3=C2)cc1,CN(C)C=O,620.0
5475,CCCCOc1ccc(-c2cc3c(o2)c(-c2ccc(OCCCC)cc2)c2n3[B-](F)(F)[N+]3=Cc4c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)cc5n4[B-](F)(F)[N+]3=C2)cc1,CS(C)=O,625.0
5475,CCCCOc1ccc(-c2cc3c(o2)c(-c2ccc(OCCCC)cc2)c2n3[B-](F)(F)[N+]3=Cc4c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)cc5n4[B-](F)(F)[N+]3=C2)cc1,Cc1ccccc1,626.0
5475,CCCCOc1ccc(-c2cc3c(o2)c(-c2ccc(OCCCC)cc2)c2n3[B-](F)(F)[N+]3=Cc4c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)cc5n4[B-](F)(F)[N+]3=C2)cc1,ClC(Cl)Cl,624.0
5475,CCCCOc1ccc(-c2cc3c(o2)c(-c2ccc(OCCCC)cc2)c2n3[B-](F)(F)[N+]3=Cc4c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)cc5n4[B-](F)(F)[N+]3=C2)cc1,ClCCl,622.0
5475,CCCCOc1ccc(-c2cc3c(o2)c(-c2ccc(OCCCC)cc2)c2n3[B-](F)(F)[N+]3=Cc4c(-c5ccc(OCCCC)cc5)c5oc(-c6ccc(OCCCC)cc6)cc5n4[B-](F)(F)[N+]3=C2)cc1,C1CCOC1,619.0
8008,CN1C2=Nc3n(C)c4ccccc4[n+]3CN2c2ccccc21,CO,339.0
5428,CCCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(OCc3cc(Oc4ccc5c6c(cccc46)C(=O)N(CCCC)C5=O)cc(Oc4ccc5c6c(cccc46)C(=O)N(CCCC)C5=O)c3)cc1)C2=O,CN(C)C=O,438.0
5428,CCCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(OCc3cc(Oc4ccc5c6c(cccc46)C(=O)N(CCCC)C5=O)cc(Oc4ccc5c6c(cccc46)C(=O)N(CCCC)C5=O)c3)cc1)C2=O,ClC(Cl)Cl,426.0
5352,CCCCN1C(=O)c2cccc3c(Oc4cc(COc5ccc(N6C(=O)c7cccc8c(NCCN(C)C)ccc(c78)C6=O)cc5)cc(Oc5ccc6c7c(cccc57)C(=O)N(CCCC)C6=O)c4)ccc(c23)C1=O,CN(C)C=O,430.0
5352,CCCCN1C(=O)c2cccc3c(Oc4cc(COc5ccc(N6C(=O)c7cccc8c(NCCN(C)C)ccc(c78)C6=O)cc5)cc(Oc5ccc6c7c(cccc57)C(=O)N(CCCC)C6=O)c4)ccc(c23)C1=O,ClC(Cl)Cl,430.0
5352,CCCCN1C(=O)c2cccc3c(Oc4cc(COc5ccc(N6C(=O)c7cccc8c(NCCN(C)C)ccc(c78)C6=O)cc5)cc(Oc5ccc6c7c(cccc57)C(=O)N(CCCC)C6=O)c4)ccc(c23)C1=O,CC#N,430.0
5428,CCCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc(OCc3cc(Oc4ccc5c6c(cccc46)C(=O)N(CCCC)C5=O)cc(Oc4ccc5c6c(cccc46)C(=O)N(CCCC)C5=O)c3)cc1)C2=O,CC#N,430.0
2372,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(/C=C/c4cccs4)ccc2-3)C(CC)(CC)c2cc(/C=C/c3cccs3)ccc2-1,C1CCOC1,382.0
5846,CCCOc1cc2c(C(C)(C)C)c(c1)Cc1cc(OCCCCC(=O)OCc3cc(/C=C(\C#N)C(=O)O)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)Cc1cc(OCCC)cc(c1C(C)(C)C)Cc1cc(OCCCCC(=O)OCc3cc(C=C(C#N)C(=O)O)sc3C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)cc(c1C(C)(C)C)C2,ClCCl,557.0
9491,COc1ccc(C2N=C(c3ccc(N(c4ccccc4)c4ccc(C=C(C#N)C(=O)O)cc4)cc3)NC2c2ccc(OC)cc2)cc1,CCO,405.0
2776,CCCCC1(CCCC)c2cc(C#Cc3ccc(C=C(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C#Cc3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,376.0
12564,N#C/C(=C\c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)cc1)C(=O)O,CCO,410.0
253,C(=C/c1cccc2ccccc12)\c1ncc(-c2ccccc2)o1,ClCCl,357.0
13610,O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2)SC1=S,ClCCl,468.0
10689,Cc1cc(C)c(B(c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c2c(C)cc(C)cc2C)c(C)c1,C1CCOC1,384.0
10689,Cc1cc(C)c(B(c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c2c(C)cc(C)cc2C)c(C)c1,CC(C)=O,380.0
10689,Cc1cc(C)c(B(c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c2c(C)cc(C)cc2C)c(C)c1,CS(C)=O,386.0
10689,Cc1cc(C)c(B(c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,381.0
10689,Cc1cc(C)c(B(c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c2c(C)cc(C)cc2C)c(C)c1,ClCCl,376.0
10201,C[Si](C)(c1ccc2cc3ccccc3cc2c1)[Si](C)(C)c1ccc2cc3ccccc3cc2c1,C1CCCCC1,381.2468885
13490,O=C(COc1ccccc1/C=N/N=C/c1ccccc1OCC(=O)c1ccccc1)c1ccccc1,C1CCOC1,344.0
9309,COc1ccc(/C=N/N=C/c2ccc(OC)cc2OCC(=O)c2ccccc2)c(OCC(=O)c2ccccc2)c1,C1CCOC1,356.0
13489,O=C(COc1ccc(Cl)cc1/C=N/N=C/c1cc(Cl)ccc1OCC(=O)c1ccccc1)c1ccccc1,C1CCOC1,355.0
3427,CCCCCCCCN1c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2Sc2cc(-c3ccc(-c4ccncc4)c4nsnc34)ccc21,ClCCl,454.0
12297,N#C/C(=C/c1ccc(N(c2ccc(N3CCc4ccccc43)cc2)c2ccc(N3CCc4ccccc43)cc2)cc1)C(=O)O,ClC(Cl)Cl,449.0
2209,CC1Cc2ccccc2N1c1ccc(N(c2ccc(/C=C(/C#N)C(=O)O)cc2)c2ccc(N3c4ccccc4CC3C)cc2)cc1,ClC(Cl)Cl,459.0
5974,CCN(CC)c1ccc(/C=C/c2sc3c4ccccc4ccc3[n+]2CCCS(=O)(=O)[O-])c(O)c1,CO,554.0
9601,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3sc(/C=C(/C#N)C(=O)O)c4c3OC[C@@]3(CO4)COc4c(/C=C(\C#N)C(=O)O)sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)c6nsnc56)c4OC3)c3nsnc23)cc1,CS(C)=O,555.0
2582,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)s1,ClCCl,636.0
5318,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)s1,ClCCl,627.0
5320,CCCCN1C(=O)C2=C(c3ccc(-c4ccc(C=O)s4)s3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)s1,ClCCl,643.0
12080,F[B-]1(F)n2c(c(-c3ccccc3)c(-c3cccs3)c2-c2ccccc2)N=C2C(c3ccccc3)=C(c3cccs3)C(c3ccccc3)=[N+]21,ClCCl,650.0
3505,CCCCCCCCOc1ccc(-c2c3c4n(c(-c5ccc(OCCCCCCCC)cc5)c3c3n2[B-](F)(F)[n+]2c(sc5ccccc52)N=3)[B-](F)(F)[n+]2c(sc3ccccc32)N=4)cc1,ClC(Cl)Cl,655.0
2638,CCCCC(CC)COc1cc(OCC(CC)CCCC)c2c#cc3ccc4sc5ccc(c#cc6cc(c#cc7ccc8sc9ccc(c#cc1c2)cc9c8c7)c(C(CCCC)OCCC)cc6C(CCCC)OCCC)cc5c4c3,ClCCl,333.0
2031,CC1=CC(C)(C)Nc2ccc3c(-c4ccc5c(c4)OCO5)c4ccc(=[NH2+])cc-4oc3c21,O,535.0
4218,CCCCCCOc1cc(OCCCCCC)cc(-c2ccc(C(=Cc3ccc(N4c5cc(-c6ccc(C7=C8C(=O)N(CC(CC)CCCC)C(c9ccc(-c%10ccc(C=C(C#N)C(=O)O)o%10)cc9)=C8C(=O)N7CC(CC)CCCC)s6)ccc5C5CCCC54)cc3)c3ccc(-c4cc(OCCCCCC)cc(OCCCCCC)c4)cc3)cc2)c1,C1CCOC1,602.0
3070,CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3sc(-c4sc(-c5ccc(N(c6ccc(-c7ccc(OCCCCCC)cc7OCCCCCC)cc6)c6ccc(-c7ccc(OCCCCCC)cc7OCCCCCC)cc6)cc5)c5c4OCCO5)c4c3OCCO4)cc21,ClCCl,612.0
14060,O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,CC#N,377.0
14060,O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,CO,379.0
14060,O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,CS(C)=O,382.0
14060,O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,ClC(Cl)Cl,379.0
11509,Cc1cccc(-c2c3ccccc3cc3ccccc23)n1,ClCCl,385.0
2801,CCCCC1(c2ccccc2)Nc2c(-c3ccc(N(C)c4ccccc4)cc3)ccc(-c3ccc(N(C)c4ccccc4)cc3)c2N=C1c1ccccc1,ClC(Cl)Cl,380.0
15318,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4cc5ccccc5cc4c3)n2)cc1,CCOC(C)=O,402.0
15318,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4cc5ccccc5cc4c3)n2)cc1,C1COCCO1,402.0
15318,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4cc5ccccc5cc4c3)n2)cc1,CC#N,401.0
15318,c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc4cc5ccccc5cc4c3)n2)cc1,CCCCOCCCC,402.0
2326,CCC1(CC)c2cc(/C=C(\C#N)c3ccc(C=C(C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,488.0
2326,CCC1(CC)c2cc(/C=C(\C#N)c3ccc(C=C(C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,482.0
850,CC(C)(C)OC(=O)COc1ccc2c(c1)oc(=O)c1c(=O)oc3ccccc3c12,CS(C)=O,366.0
850,CC(C)(C)OC(=O)COc1ccc2c(c1)oc(=O)c1c(=O)oc3ccccc3c12,ClCCl,365.0
9933,COc1cccc2c1oc(=O)c1c(=O)oc3cc(O)ccc3c12,ClCCl,365.0
6157,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3c(OC)cccc3c12,CS(C)=O,462.0
6157,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3c(OC)cccc3c12,ClCCl,458.0
6158,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc(Br)ccc3c12,CS(C)=O,469.0
6158,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc(Br)ccc3c12,ClCCl,466.0
6161,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc([N+](=O)[O-])ccc3c12,CS(C)=O,498.0
6161,CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc([N+](=O)[O-])ccc3c12,ClCCl,494.0
14547,O=c1oc2ccccc2c2c1c(=O)oc1cc(O)cc(O)c12,CS(C)=O,388.0
14547,O=c1oc2ccccc2c2c1c(=O)oc1cc(O)cc(O)c12,ClCCl,385.0
14548,O=c1oc2ccccc2c2c1c(=O)oc1cc(O)ccc12,CS(C)=O,376.0
3111,CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2c(c1)oc(=O)c1c(=O)oc3ccccc3c12,CS(C)=O,464.0
3111,CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2c(c1)oc(=O)c1c(=O)oc3ccccc3c12,ClCCl,463.0
14548,O=c1oc2ccccc2c2c1c(=O)oc1cc(O)ccc12,ClCCl,374.0
13397,Nc1ccc2c(c1)oc(=O)c1c(=O)oc3ccccc3c12,CS(C)=O,438.0
13397,Nc1ccc2c(c1)oc(=O)c1c(=O)oc3ccccc3c12,ClCCl,411.0
6465,CCNc1cc2oc(=O)c3c(=O)oc4ccccc4c3c2cc1C,CS(C)=O,454.0
6465,CCNc1cc2oc(=O)c3c(=O)oc4ccccc4c3c2cc1C,ClCCl,441.0
9933,COc1cccc2c1oc(=O)c1c(=O)oc3cc(O)ccc3c12,CS(C)=O,378.0
7193,CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,C1CCOC1,498.0
7193,CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,CC(C)=O,500.0
7193,CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,CS(C)=O,519.0
7193,CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,ClC(Cl)Cl,506.0
7193,CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,ClCCl,506.0
6223,CCN(CC)c1ccc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5cc6ccc(N(CC)CC)cc6oc5=O)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4)cc3)c(=O)oc2c1,ClCCl,465.0
12097,F[B-]1(F)n2c(cc(Br)c2Br)C(c2ccccc2)=C2C=C(Br)C(c3ccc[nH]3)=[N+]21,ClC(Cl)Cl,626.0
3778,CCCCCCCCc1nc2cc(C(=O)OC)ccn2c1NC1CCCCC1,CS(C)=O,368.0
4994,CCCCCCc1nc2cc(C(=O)OC)ccn2c1NC1CCCCC1,CS(C)=O,368.0
3959,CCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc32)c2ccc(Br)cc21,ClC(Cl)Cl,400.0
7892,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc(Cl)c(Cl)c3Cl)cc2)cc1,CS(C)=O,429.0
7888,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1,CS(C)=O,429.0
11631,Cc1ccsc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,430.0
3469,CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(/C=C(/C#N)C(=O)O)o2)c2nsnc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,463.0
9343,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,C1CCCCC1,335.0
9343,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,C1COCCO1,336.0
9343,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,CC#N,334.0
9343,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,CCO,336.0
9343,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,CS(C)=O,338.0
9343,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,ClC(Cl)Cl,338.0
9343,COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,ClCCl,338.0
11048,Cc1ccc(/C2=c3\cc/c(o3)=C(\c3ccc(C)cc3)c3ccc([nH]3)-c3ccc4n3[B-](F)(F)[N+]3=C(C=CC3=C4c3cccs3)c3ccc2[nH]3)cc1,ClC(Cl)Cl,709.0
13036,N#Cc1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1,Cc1ccccc1,342.0
202,C(=C/c1c2ccccc2cc2ccccc12)\c1cnc2ccccc2c1,CC#N,386.0
202,C(=C/c1c2ccccc2cc2ccccc12)\c1cnc2ccccc2c1,CC1CCCCC1,386.0
6399,CCN1CCN(c2ccc(/N=N/c3cc(C(=O)OC)cc(C(=O)OC)c3)cc2)CC1,CCOC(C)=O,416.0
6400,CCN1CCN(c2ccc(/N=N/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CC1,CCOC(C)=O,427.0
6401,CCN1CCN(c2ccc(/N=N/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1,CCOC(C)=O,454.0
6402,CCN1CCN(c2ccc(/N=N/c3ccc(C#N)cc3)cc2)CC1,CCOC(C)=O,428.0
6403,CCN1CCN(c2ccc(/N=N/c3ccc(C(=O)OC)cc3)cc2)CC1,CCOC(C)=O,419.0
6404,CCN1CCN(c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)CC1,CCOC(C)=O,414.0
6405,CCN1CCN(c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)CC1,CCOC(C)=O,448.0
1819,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4sc(-c5sc(/C=C(\C#N)C(=O)O)c6c5C5C=CC6CC5)c5c4C4C=CC5CC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClCCl,472.0
2594,CCCCC(CC)CN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Cl)cc5c6c(cc(Cl)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O,Cc1ccccc1,560.0
2597,CCCCC(CC)CN1C(=O)c2cc(Oc3ccc(OC)cc3)c3c4c(Cl)cc5c6c(cc(Cl)c(c7c(Oc8ccc(OC)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O,Cc1ccccc1,565.0
10861,Cc1cc2cccc3cnc1n32,CO,411.0
4303,CCCCCCOc1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(C4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc32)c(OCCCCCC)c1,ClCCl,519.0
1146,CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c2c45)c86)C(=O)OC7=O)C(=O)OC3=O)cc1,ClC(Cl)Cl,581.0
3342,CCCCCCCCN(CCCCCCCC)c1ccc(/C=C/c2ccc(C#Cc3ccc(-c4ccc(C#Cc5ccc(/C=C/c6ccc(N(CCCCCCCC)CCCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1,Cc1ccccc1,406.0
384,C1=C(/C=C/c2ccccc2)B(c2ccccc2)N2CCN3B(c4ccccc4)C(/C=C/c4ccccc4)=Cc4ccc1c2c43,ClCCl,400.0
14174,O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3n2-c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)c1,ClCCl,304.0
7318,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)cc2)cc1,C1CCCCC1,353.0
7318,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)cc2)cc1,C1CCOC1,342.0
7318,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)cc2)cc1,CN(C)C=O,350.0
7318,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)cc2)cc1,CS(C)=O,342.0
7318,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)cc2)cc1,Cc1ccccc1,360.0
7318,CN(C)c1ccc(-c2ccc(-c3cc(N4CCCCC4)c(C#N)c4c3-c3ccccc3CC4)cc2)cc1,ClC(Cl)Cl,348.0
12992,N#Cc1c(N2CCCCC2)cc(-c2ccc(-c3ccccc3)cc2)c2c1CCc1ccccc1-2,C1CCOC1,332.0
12362,N#C/C(=C\c1cc2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2s1)C(=O)O,ClCCl,495.0
3241,CCCCCCCCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1cc2sc(/C=C(\C#N)C(=O)O)cc2s1,ClCCl,489.0
4763,CCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1cc2sc(/C=C(\C#N)C(=O)O)cc2s1,ClCCl,489.0
10000,COc1ccn2c3c(c(-c4cccs4)c2c1)CN(C(C)CO)C3=O,ClCCl,335.0
1528,CC(CO)N1Cc2c(-c3cccs3)c3cc(C#N)ccn3c2C1=O,ClCCl,398.0
1529,CC(CO)N1Cc2c(-c3cccs3)c3ccccn3c2C1=O,ClCCl,322.0
736,CC(=O)c1ccn2c3c(c(-c4cccs4)c2c1)CN(C(C)CO)C3=O,ClCCl,349.0
2390,CCC1(CC)c2ccccc2-c2ccc(N3c4ccccc4Sc4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)cc43)cc21,ClCCl,496.0
2930,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N3c4ccccc4Sc4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)cc43)cc21,ClCCl,493.0
2531,CCCC1(CCC)c2ccccc2-c2ccc(N3c4ccccc4Sc4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)cc43)cc21,ClCCl,497.0
5221,CCCCN(CCCC)c1ccc(/C=C/c2ccc3c(c2)CCc2cc(/C=C/c4ccc(N(CCCC)CCCC)cc4)ccc2-3)cc1,Cc1ccccc1,412.7
5221,CCCCN(CCCC)c1ccc(/C=C/c2ccc3c(c2)CCc2cc(/C=C/c4ccc(N(CCCC)CCCC)cc4)ccc2-3)cc1,CS(C)=O,420.5
6103,CCN(CC)c1ccc2c(C(=O)ON3C(=O)C=CC3=O)cc(=O)oc2c1,CO,432.0
1744,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCC3)cc21,CS(C)=O,400.0
1744,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCC3)cc21,Cc1ccccc1,394.0
1744,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCC3)cc21,ClC(Cl)Cl,396.0
1744,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCC3)cc21,O,407.0
1744,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCC3)cc21,C1COCCO1,391.0
1744,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCC3)cc21,CC#N,391.0
1744,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCCC3)cc21,CCO,395.0
11201,Cc1ccc(N(/C2=C3\C=CC(=N3)/C(N(c3ccc(C)cc3)c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2ccc(C(=O)O)cc2)c2ccc(C)cc2)cc1,ClCCl,636.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,C1COCCO1,463.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,CC#N,458.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,CC1CCCCC1,462.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,CCOC(C)=O,458.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,CCOCC,458.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,CN(C)C=O,464.0
11538,Cc1cccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)c1,ClC(Cl)Cl,401.5
9449,COc1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,410.5
12024,F[B-]1(F)OC(c2ccc(Br)cc2)=Cc2c3ccccc3cc[n+]21,ClC(Cl)Cl,403.0
12041,F[B-]1(F)OC(c2ccccc2)=Cc2c3ccccc3cc[n+]21,ClC(Cl)Cl,400.0
12027,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2c3ccccc3cc[n+]21,ClC(Cl)Cl,398.5
11174,Cc1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,404.0
12035,F[B-]1(F)OC(c2cccc(Br)c2)=Cc2c3ccccc3cc[n+]21,ClC(Cl)Cl,399.5
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,CO,458.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,COC(C)=O,460.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,466.0
7568,CN(C)c1ccc(C2=Cc3c4ccccc4cc[n+]3[B-](F)(F)O2)cc1,C1CCOC1,462.0
4365,CCCCCCOc1ccc(N(c2ccc(C3SC4C(SC5C6SC7C(CCCCCC)C(/C=C(\C#N)C(=O)O)SC7C6N(c6ccc(OCCCCCC)cc6)C45)C3CCCCCC)cc2)c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2c4c(c5c(c2-3)C(CCCCCC)(CCCCCC)c2ccccc2-5)C(CCCCCC)(CCCCCC)c2ccccc2-4)cc1,ClCCl,538.0
3776,CCCCCCCCc1nc2c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)sc3c3sc(-c4ccc(-c5ccc6c(c5)C5CCCC5N6c5ccc(C)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3c2nc1CCCCCCCC,C1CCOC1,504.0
3537,CCCCCCCCOc1ccc(-c2nc3c(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)ccc(-c4cc5c6nc(CCCCCCCC)c(CCCCCCCC)nc6c6cc(-c7ccc(/C=C(\C#N)C(=O)O)s7)sc6c5s4)c3nc2-c2ccc(OCCCCCCCC)cc2)cc1,C1CCOC1,498.0
3146,CCCCCCCCCCCCN1c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2Oc2cc(/C=C(\C#N)C(=O)O)ccc21,ClCCl,517.0
15086,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccccc4N(c4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc4)c4ccccc45)cc3)n2)cc1,Cc1ccccc1,400.0
5992,CCN(CC)c1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,ClCCl,447.0
5992,CCN(CC)c1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,403.0
5992,CCN(CC)c1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CN(C)C=O,416.0
14200,O=P1(c2ccccc2)c2ccc(N3c4ccccc4Sc4ccccc43)cc2-c2cc(N3c4ccccc4Sc4ccccc43)ccc21,Cc1ccccc1,422.0
813,CC(C)(C)NC(=O)C(c1cc(Br)cc(Br)c1)N(C(=O)c1ccccc1)c1cccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)c1,C1CCOC1,501.5
3628,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1c2ccccc2c(N(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccccc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClC(Cl)Cl,664.0
1949,CC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C)n1[B-]2(F)F,ClCCl,568.0
3491,CCCCCCCCOc1cc(C)cc(OCCCCCCCC)c1-n1c2cc(C=C(C#N)C(=O)O)c3cccc4c5cccc6c(-c7ccc(N(c8ccc(OCCCCCC)cc8)c8ccc(OCCCCCC)cc8)cc7)cc1c(c65)c2c34,ClC(Cl)Cl,531.0
14107,O=Cc1c2ccccc2n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12,CS(C)=O,400.0
669,CC(=O)c1c2ccccc2n2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c12,CC#N,410.0
669,CC(=O)c1c2ccccc2n2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c12,CS(C)=O,413.0
670,CC(=O)c1c2ccccc2n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12,CC#N,408.0
670,CC(=O)c1c2ccccc2n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12,CS(C)=O,415.0
10890,Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n3c(c2-c2ccc(C)cc2)c(C=O)c2cc(Br)ccc23)cc1,CC#N,413.0
10890,Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n3c(c2-c2ccc(C)cc2)c(C=O)c2cc(Br)ccc23)cc1,CS(C)=O,413.0
10891,Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n3c(c2-c2ccc(C)cc2)c(C=O)c2ccccc23)cc1,CC#N,415.0
10891,Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n3c(c2-c2ccc(C)cc2)c(C=O)c2ccccc23)cc1,CS(C)=O,417.0
9737,COc1ccc2c(c1)c(C=O)c1c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n12,CC#N,405.0
9737,COc1ccc2c(c1)c(C=O)c1c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n12,CS(C)=O,408.0
9738,COc1ccc2c(c1)c(C=O)c1c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)n12,CC#N,402.0
9738,COc1ccc2c(c1)c(C=O)c1c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)n12,CS(C)=O,407.0
8903,COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n3c(c2-c2ccc(OC)cc2)c(C(C)=O)c2ccccc23)cc1,CC#N,410.0
8903,COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n3c(c2-c2ccc(OC)cc2)c(C(C)=O)c2ccccc23)cc1,CS(C)=O,413.0
8904,COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n3c(c2-c2ccc(OC)cc2)c(C=O)c2cc(Br)ccc23)cc1,CC#N,413.0
8904,COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n3c(c2-c2ccc(OC)cc2)c(C=O)c2cc(Br)ccc23)cc1,CS(C)=O,415.0
8905,COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n3c(c2-c2ccc(OC)cc2)c(C=O)c2cc(OC)ccc23)cc1,CC#N,406.0
8905,COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n3c(c2-c2ccc(OC)cc2)c(C=O)c2cc(OC)ccc23)cc1,CS(C)=O,410.0
8906,COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n3c(c2-c2ccc(OC)cc2)c(C=O)c2ccccc23)cc1,CC#N,415.0
8906,COc1ccc(-c2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n3c(c2-c2ccc(OC)cc2)c(C=O)c2ccccc23)cc1,CS(C)=O,417.0
14107,O=Cc1c2ccccc2n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12,CC#N,410.0
4042,CCCCCCN1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2S(=O)(=O)c2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc21,C1CCOC1,418.0
4531,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc(/C=C(/C#N)C(=O)O)s5)ccc3N4CCCCCC)cc2)cc1,C1CCOC1,416.0
4421,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3c5nsnc5c5c6sc(C#Cc7ccc(-c8ccc(C(=O)O)cc8)c8nsnc78)cc6n(CC(CC)CCCC)c5c3n4CC(CC)CCCC)cc2)cc1,ClCCl,523.0
4370,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc(N(c3ccc(OCCCCCC)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)cc(N(c3ccc(OCCCCCC)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)c2)cc1,C1CCOC1,440.0
1083,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccc([N+](=O)[O-])cc6)s5)ccc(c34)C2=O)c1,CO,393.0
1083,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccc([N+](=O)[O-])cc6)s5)ccc(c34)C2=O)c1,CS(C)=O,400.0
1083,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccc([N+](=O)[O-])cc6)s5)ccc(c34)C2=O)c1,Cc1ccccc1,392.0
1084,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccccc6)s5)ccc(c34)C2=O)c1,CS(C)=O,405.0
1084,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccccc6)s5)ccc(c34)C2=O)c1,Cc1ccccc1,398.0
1084,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccccc6)s5)ccc(c34)C2=O)c1,CO,403.0
11176,Cc1ccc(C2=Nc3cccc4[n+]3[B-](F)(O2)OC(c2ccc(C)cc2)=N4)cc1,ClCCl,394.0
12145,F[B-]12OC(c3ccccc3)=Nc3cccc([n+]31)N=C(c1ccccc1)O2,ClCCl,394.0
9459,COc1ccc(C2=Nc3cccc4[n+]3[B-](F)(O2)OC(c2ccc(OC)cc2)=N4)cc1,ClCCl,399.0
131,C(#Cc1ccc(N(c2ccc(C#Cc3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2)c2ccc(C#Cc3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2)cc1)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1,C1CCOC1,379.0
131,C(#Cc1ccc(N(c2ccc(C#Cc3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2)c2ccc(C#Cc3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2)cc1)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1,Cc1ccccc1,378.0
270,C(=C/c1cnc2ccccc2n1)\c1ccc(N2CCCCC2)cc1,C1CCOC1,410.0
270,C(=C/c1cnc2ccccc2n1)\c1ccc(N2CCCCC2)cc1,CC#N,410.0
270,C(=C/c1cnc2ccccc2n1)\c1ccc(N2CCCCC2)cc1,CCCCCCC,402.0
270,C(=C/c1cnc2ccccc2n1)\c1ccc(N2CCCCC2)cc1,CS(C)=O,423.0
270,C(=C/c1cnc2ccccc2n1)\c1ccc(N2CCCCC2)cc1,ClCCl,414.0
391,C1=C(c2ccccc2)C(c2ccccc2)=CC1c1ccccc1,C1CCOC1,290.0
4036,CCCCCCN1c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2Sc2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CCCCCC)s3)ccc21,ClCCl,462.0
6385,CCN1C(=O)C(C2C(=O)c3c4ccccc4cc4cc5ccccc5c2c34)SC1=S,ClCCl,510.1576182
15421,c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2,Cc1ccccc1,309.0
4167,CCCCCCOc1c(OCCCCCC)c2cc(-c3cc4c5nn([C@@H](CC)CCCCC)nc5c5cc(/C=C(/C#N)C(=O)O)sc5c4s3)sc2c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc12,C1CCOC1,470.0
2474,CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccc(C)s5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccc(C)s3)cc2S1(=O)=O,C1COCCO1,374.0
2473,CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccc(C(C)=O)s5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccc(C(C)=O)s3)cc2S1(=O)=O,C1COCCO1,363.0
4520,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(-c7ccc(C=C(C#N)C(=O)O)o7)cc6)=C5C(=O)N4CC(CC)CCCC)s3)cc2)cc1,C1CCOC1,587.0
11261,Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c4ccc(-c5ccc(-c6ccc(C(=O)O)cc6)c6nsnc56)s4)sc2-3)cc1,ClC(Cl)Cl,520.0
1139,CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc2c43)cc1,Cc1ccccc1,451.0
12708,N#CC(=Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,CCO,406.0
12489,N#C/C(=C\c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,CCO,406.0
5795,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21,CO,635.0
5795,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21,CS(C)=O,643.0
5795,CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21,O,635.0
7918,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cc(F)cc(F)c2)C(C)(C)c2ccccc21,CCO,636.0
7918,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cc(F)cc(F)c2)C(C)(C)c2ccccc21,CO,633.0
7918,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cc(F)cc(F)c2)C(C)(C)c2ccccc21,CS(C)=O,644.0
7918,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cc(F)cc(F)c2)C(C)(C)c2ccccc21,O,631.0
7919,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccc(C(F)(F)F)cc2)C(C)(C)c2ccccc21,CCO,637.0
7919,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccc(C(F)(F)F)cc2)C(C)(C)c2ccccc21,CO,634.0
7919,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccc(C(F)(F)F)cc2)C(C)(C)c2ccccc21,CS(C)=O,643.0
7919,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccc(C(F)(F)F)cc2)C(C)(C)c2ccccc21,O,632.0
7920,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccc(F)cc2)C(C)(C)c2ccccc21,CCO,639.0
7920,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccc(F)cc2)C(C)(C)c2ccccc21,CO,636.0
7920,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccc(F)cc2)C(C)(C)c2ccccc21,CS(C)=O,643.0
7920,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccc(F)cc2)C(C)(C)c2ccccc21,O,633.0
7921,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21,CCO,637.0
7921,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21,CO,634.0
7921,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21,CS(C)=O,642.0
7921,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21,O,633.0
7922,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21,CCO,640.0
7922,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21,CO,637.0
7922,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21,CS(C)=O,645.0
7922,CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21,O,634.0
7945,CN1B(c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-c2c1ccc1ccccc21,C1CCCCC1,367.0
15025,c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,C1CCCCC1,375.0
15025,c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,CC#N,375.0
15025,c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,CO,366.0
15025,c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,Cl,577.0
15025,c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,ClCCl,382.0
15025,c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,O,375.0
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCC#N,359.99712
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCCC#N,359.99712
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCCCCC,360.9977979
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCCO,360.9977979
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCO,360.9977979
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CO,363.0027588
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,Cc1ccccc1,362.0040544
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,C1CCOC1,362.0040544
14949,c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CC#N,359.99712
13377,Nc1ccc2c(-c3ccccc3CO)c3ccc(=[NH2+])cc-3[se]c2c1,O,533.0
4827,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)Cc1ccc([Si](OC)(OC)OC)cc1,ClC(Cl)Cl,507.0
8249,COC(=O)c1[nH]c(-c2ccccc2)c2nnc3ccsc3c12,ClCCl,401.0
15462,c1ccc2c(c1)ccc1ccc3c(c12)-c1c(ccc2ccc4ccccc4c12)C3,ClCCl,400.0
3867,CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2n1,ClCCl,592.0
3876,CCCCCCCCn1nc2c(-c3ccc(C(=O)O)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2n1,ClCCl,578.0
2360,CCC1(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,C1CCOC1,363.0
2360,CCC1(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,CC#N,359.0
2360,CCC1(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,CC(C)=O,361.0
2360,CCC1(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,CCCCCC,364.0
2360,CCC1(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,Cc1ccccc1,366.0
1621,CC1(C)C2=[N+](CCCCCC(=O)NCCCNC(=O)CCCCCN3/C(=C/C=C/C=C/C=C/2)C(C)(C)c2cc(S(=O)(=O)[O-])ccc23)c2ccc(S(=O)(=O)[O-])cc21,CO,754.0
1621,CC1(C)C2=[N+](CCCCCC(=O)NCCCNC(=O)CCCCCN3/C(=C/C=C/C=C/C=C/2)C(C)(C)c2cc(S(=O)(=O)[O-])ccc23)c2ccc(S(=O)(=O)[O-])cc21,O,749.0
4098,CCCCCCN1c2ccc(C#Cc3ccc4c(c3)C(CCCC)(CCCC)c3cc(C#Cc5ccc6c(c5)Sc5cc(/C=C(/C#N)C(=O)O)ccc5N6CCCCCC)ccc3-4)cc2Sc2cc(/C=C(/C#N)C(=O)O)ccc21,C1CCOC1,449.0
15456,c1ccc2c(c1)cc1c3ccccc3c3cc4ccccc4c4ccc2c1c43,ClCCl,385.0
13601,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)SC1=S,CN(C)C=O,403.0
437,C1=CN2B(C=Cc3ccccc32)C(N2CCOCC2)=C1,C1CCCCC1,319.0
10713,Cc1cc(C)c(B2c3cc(C)ccc3N3c4ccc(C)cc4B(c4c(C)cc(C)cc4C)c4cc(C)cc2c43)c(C)c1,ClCCl,457.0
11427,Cc1ccc2c(c1)B(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1cc(C)cc3c1N2c1ccc(C)cc1B3c1c(C(C)C)cc(C(C)C)cc1C(C)C,ClCCl,457.0
4304,CCCCCCOc1ccc(-n2c3cc(C=C(C#N)C(=O)O)sc3c3sc(-c4ccc(-c5ccc6c(c5)C5CCCC5N6c5ccc(C)cc5)c5nonc45)cc32)cc1,ClCCl,558.0
15035,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)s3)[nH]c2-c2ccccc2)cc1,CC(=O)O,392.001568
15035,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)s3)[nH]c2-c2ccccc2)cc1,CC(C)=O,384.5001925
15035,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)s3)[nH]c2-c2ccccc2)cc1,CCOC(C)=O,385.0001925
9109,COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)[nH]4)s3)[nH]c2-c2ccc(OC)cc2)cc1,CC#N,365.0
15035,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)s3)[nH]c2-c2ccccc2)cc1,CCOCC,383.99754245
15035,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)s3)[nH]c2-c2ccccc2)cc1,CO,382.0000764
15035,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)s3)[nH]c2-c2ccccc2)cc1,ClC(Cl)Cl,394.99575385
15035,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)s3)[nH]c2-c2ccccc2)cc1,C1CCOC1,385.9980314
15035,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)s3)[nH]c2-c2ccccc2)cc1,CC#N,385.0
1182,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1cc(-c2ccc(F)cc2)cc2c1B3c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13,Cc1ccccc1,469.9177438
1183,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1cc(-c2cccc(F)c2)cc2c1B3c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13,Cc1ccccc1,467.0975323
1184,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c1n2-c1cc(-c2ccccc2F)cc2c1B3c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13,Cc1ccccc1,471.5628672
12092,F[B-]1(F)n2c(c3ccccc3c2-c2ccccc2)C=C2c3ccccc3C(c3ccccc3)=[N+]21,C1CCOC1,640.0
12092,F[B-]1(F)n2c(c3ccccc3c2-c2ccccc2)C=C2c3ccccc3C(c3ccccc3)=[N+]21,ClCCl,634.0
9467,COc1ccc(C2=[N+]3C(=Cc4c5ccc(OC)cc5c(-c5ccc(OC)cc5)n4[B-]3(F)F)c3ccc(OC)cc32)cc1,ClCCl,673.0
3894,CCCCCCCN1/C(=C/C2=C([O-])/C(=C\C3=[N+](CCCCCCC)c4ccc(C5=C([O-])/C(=C\C6=[N+](CCCC)c7ccc(C(=O)O)cc7C6(C)C)C5=O)cc4C3(C)C)C2=O)C(C)(C)c2cc(C3=C([O-])C(=CC4=[N+](CCCC)c5ccccc5C4(C)C)C3=O)ccc21,ClC(Cl)Cl,856.0
1816,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)cc21,C1CCOC1,461.0
4382,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(C=C(C#N)C(=O)O)cc4)c4nn(CCCCCC)nc34)cc2)cc1,C1CCOC1,454.0
4378,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4nn(CCCCCC)nc34)cc2)cc1,C1CCOC1,454.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CC(C)OC(C)C,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCCCCC,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCCCOCCCC,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCN(CC)CC,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCOC(C)=O,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCOCC,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CN(C)C=O,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,ClC(Cl)Cl,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,ClCCl,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,C1CCOC1,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CC#N,368.0
14232,O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CC(C)=O,368.0
3004,CCCCCCCCC1(CCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc5c(c4)[C@H]4CCC[C@H]4N5c4ccc(C)cc4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc21,ClCCl,557.0
3001,CCCCCCCCC1(CCCCCCCC)c2cc(/C=C(/C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc5c(c4)[C@H]4CCC[C@H]4N5c4ccc(C)cc4)c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)nc34)cc21,ClCCl,555.0
3002,CCCCCCCCC1(CCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)nc34)cc21,ClCCl,555.0
2785,CCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)cc21,C1CCOC1,398.0
12480,N#C/C(=C\c1ccc(-c2ccc(N3c4ccc(cc4)/C=C\c4ccc(cc4)N(c4ccccc4)c4ccc(cc4)/C=C\c4ccc3cc4)cc2)s1)C(=O)O,ClCCl,492.0
4869,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(N2c3ccc(cc3)/C=C\c3ccc(cc3)N(c3ccccc3)c3ccc(cc3)/C=C\c3ccc2cc3)cc1,ClCCl,450.0
3793,CCCCCCCCn1c(=O)/c(=C/c2ccc(N3c4ccccc4C4CCCC43)s2)s/c1=C(/C#N)C(=O)O,ClC(Cl)Cl,550.0
12880,N#CC(C#N)=c1s/c(=C\c2ccc(N3c4ccccc4C4CCCC43)s2)c(=O)n1CC(=O)O,ClC(Cl)Cl,558.0
12622,N#C/C(C(=O)O)=c1/s/c(=C\c2ccc(N3c4ccccc4C4CCCC43)s2)c(=O)n1CC(=O)O,ClC(Cl)Cl,550.0
2264,CCC(C)[Si](C#Cc1c2nc3c4ccccc4c(=O)c4ccccc4c3nc2c(C#C[Si](C(C)CC)(C(C)CC)C(C)CC)c2nc3c4ccccc4c(=O)c4ccccc4c3nc12)(C(C)CC)C(C)CC,ClCCl,544.0
4867,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4sc5ccccc5c4c3)cc2CCCCCC)s1,ClC(Cl)Cl,477.0
6432,CCN1c2cc3oc4cc(=[N+](CC)CC)ccc-4c(-c4ccccc4C(=O)[O-])c3cc2N(CC)C2CCCCC21,CCO,584.0
2791,CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4ccsc4c4sc(-c5cc6c(s5)c5sc(/C=C(\C#N)C(=O)O)cc5n6-c5ccc6c(c5)C(CCCC)(CCCC)c5ccccc5-6)cc43)cc21,C1CCOC1,499.0
5651,CCCCn1c(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)nc(-c2ccccc2)c1-c1ccccc1,ClCCl,339.0
3227,CCCCCCCCCCCC[C@@H](CCCCCCCCCC)CN1c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(N3c4ccccc4Sc4ccccc43)ccc21,ClCCl,472.0
11337,Cc1ccc(N2c3ccc(/C=C/C4=C/C(=C(\C#N)C(=O)O)CC(C)(C)C4)cc3C3CCCC32)cc1,CC#N,497.0
11338,Cc1ccc(N2c3ccc(/C=C/C4=C/C(=C(\C#N)C(=O)O)CCC4)cc3C3CCCC32)cc1,ClC(Cl)Cl,532.0
11338,Cc1ccc(N2c3ccc(/C=C/C4=C/C(=C(\C#N)C(=O)O)CCC4)cc3C3CCCC32)cc1,ClCCl,532.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CC(C)=O,409.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CCCCCC,405.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CCOC(C)=O,409.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CN(C)C=O,410.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CS(C)=O,408.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,Cc1ccccc1,411.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClC(Cl)Cl,409.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,411.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,406.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1COCCO1,411.0
3014,CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CC#N,406.0
1359,CC(C)CCOc1ccc(N(c2ccc(/C=C/c3nc4ccc(C(=O)O)cc4nc3/C=C/c3ccc(N(c4ccc(OCCC(C)C)cc4)c4ccc(OCCC(C)C)cc4)cc3)cc2)c2ccc(OCCC(C)C)cc2)cc1,ClC(Cl)Cl,484.0
9540,COc1ccc(N(c2ccc(/C=C/c3nc4ccc(C(=O)O)cc4nc3/C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,483.0
4870,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc2c3n(c(-c4ccccc4OC)c2c1)[B-](F)(F)[N+]1=C(c2ccccc2OC)c2cc(-c4sc(CO)cc4CCCCCC)ccc2C1=C3,C1CCOC1,644.0
4846,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc2c(c1)C(c1ccccc1OC)=[N+]1C2=Cc2c3ccc(-c4sc(/C=C(\C#N)C(=O)O)cc4CCCCCC)cc3c(-c3ccccc3OC)n2[B-]1(F)F,C1CCOC1,647.0
4884,CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc2c(c1)C(c1ccccc1OC)=[N+]1C2=Cc2c3ccc(-c4sc(/C=C(/C#N)C(=O)O)cc4CCCCCC)cc3c(-c3ccccc3OC)n2[B-]1(F)F,C1CCOC1,647.0
4851,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc2c3n(c(-c4ccccc4OC)c2c1)[B-](F)(F)[N+]1=C(c2ccccc2OC)c2cc(-c4sc(CO)cc4CCCCCC)ccc2C1=C3,C1CCOC1,644.0
3112,CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)OC4=O,CS(C)=O,566.0
7721,CN(C)c1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)OC4=O,CS(C)=O,561.0
13999,O=C1OC(=O)c2ccc3c4ccc(Br)c5cccc(c6ccc1c2c63)c54,CS(C)=O,503.0
14001,O=C1OC(=O)c2ccc3c4cccc5cccc(c6ccc1c2c63)c54,CS(C)=O,495.0
14001,O=C1OC(=O)c2ccc3c4cccc5cccc(c6ccc1c2c63)c54,ClC(Cl)Cl,544.0
5281,CCCCN(CCCC)c1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)OC4=O,CS(C)=O,561.0
7721,CN(C)c1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)OC4=O,CC#N,556.0
3355,CCCCCCCCN(CCCCCCCC)c1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)OC4=O,CC#N,560.0
3355,CCCCCCCCN(CCCCCCCC)c1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)OC4=O,CS(C)=O,564.0
13658,O=C(O)C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,483.0
9532,COc1ccc(N(c2ccc(/C=C/c3cc[n+](CC(=O)O)cc3)cc2)c2ccc(OC)cc2)cc1,ClCCl,504.0
430,C1=CC2C=c3c(cc4cccc5cc6ccccc6c3c45)C3=c4ccccc4=CC(=C1)C32,ClCCl,592.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,ClC(Cl)Cl,497.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,ClCCl,495.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,OCC(O)CO,512.5
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,C1CCCCC1,438.5
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,C1COCCO1,453.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,CC#N,463.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,CC(C)=O,462.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,CCCCCCC,436.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,CCO,466.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,CCOC(C)=O,457.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,CN(C)C=O,469.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,CS(C)=O,475.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,Cc1ccccc1,459.5
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,ClC(Cl)Cl,467.0
7750,CN(C)c1ccc2nc(/C=C/c3ccccc3)c(=O)oc2c1,ClCCl,467.5
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,C1CCCCC1,467.5
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,C1COCCO1,478.5
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,CC#N,489.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,CC(C)=O,488.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,CC(O)CO,502.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,CCCCCCC,465.5
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,CCO,494.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,CCOC(C)=O,482.5
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,CN(C)C=O,498.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,CS(C)=O,503.0
7459,CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1,Cc1ccccc1,485.5
1814,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)o5)cc4)cc3)cc21,C1CCOC1,418.0
1070,CC(C)(C)c1ccc(/C2=C3/N=C(C=C3/C=C(/C#N)C(=O)O)/C(c3ccc(C(C)(C)C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(C)(C)C)cc2)=C2\N=C(C(c3ccccc3)=C2c2ccccc2)/C=4c2ccc(C(C)(C)C)cc2)cc1,ClCCl,628.0
8528,COCCOCCOCCOc1ccc(N2c3ccc(-c4ccc(OC)cc4)cc3Sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc32)cc1,C1CCOC1,454.0
9050,COc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc2N3c2ccc(OC)cc2)cc1,C1CCOC1,449.0
8524,COCCOCCOCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc2N3c2ccc(OCCOCCOCCOC)cc2)cc1,C1CCOC1,451.0
1450,CC(C)[Si](c1cc(/C=C(/C#N)C(=O)O)c(-c2cc3c(s2)-c2sc(-c4sc([Si](C(C)C)(C(C)C)C(C)C)cc4/C=C(\C#N)C(=O)O)cc2C32c3ccc(-c4ccc(C(C)(C)C)cc4)cc3-c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)s1)(C(C)C)C(C)C,C1CCOC1,490.0
1451,CC(C)[Si](c1cc(/C=C(\C#N)C(=O)O)c(-c2cc3c(s2)-c2sc(-c4sc([Si](C(C)C)(C(C)C)C(C)C)cc4/C=C(\C#N)C(=O)O)cc2C32c3ccc(-c4ccc(C(C)(C)C)cc4)cc3-c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)s1)(C(C)C)C(C)C,C1CCOC1,490.0
3520,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)O)cc6)c6nsnc56)s4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(OCCCCCCCC)c1,ClCCl,491.0
988,CC(C)(C)c1ccc(-[n+]2nc3c(-c4ccc(Oc5ccccc5)cc4)cc(C(C)(C)C)cc3c3ccc(Oc4ccccc4)cc32)cc1,ClCCl,526.0
15323,c1ccc(Oc2ccc(-c3cccc4c3n[n+](-c3ccccc3)c3cc(Oc5ccccc5)ccc43)cc2)cc1,ClCCl,544.0
5981,CCN(CC)c1ccc(/C=C2\CC/C(=C\c3ccc(N(c4ccc(/C=C5\CC/C(=C\c6ccc(N(CC)CC)cc6)C5=C(C#N)C#N)cc4)c4ccc(/C=C5\CC/C(=C\c6ccc(N(CC)CC)cc6)C5=C(C#N)C#N)cc4)cc3)C2=C(C#N)C#N)cc1,CN(C)C=O,590.0
1400,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3cc4c(cc3nc12)C1c2ccccc2C4c2ccccc21)(C(C)C)C(C)C,CCCCCC,675.0
1400,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3cc4c(cc3nc12)C1c2ccccc2C4c2ccccc21)(C(C)C)C(C)C,ClCCl,683.0
13901,O=C1C=C(Nc2ccc(F)c(F)c2)C(=O)c2ccccc21,CO,454.0
13902,O=C1C=C(Nc2ccc(F)cc2)C(=O)c2ccccc21,CCCCCC,445.0
13902,O=C1C=C(Nc2ccc(F)cc2)C(=O)c2ccccc21,CO,461.0
13903,O=C1C=C(Nc2ccc(F)cc2F)C(=O)c2ccccc21,CCCCCC,439.0
13903,O=C1C=C(Nc2ccc(F)cc2F)C(=O)c2ccccc21,CO,443.0
13904,O=C1C=C(Nc2ccc(F)cc2[N+](=O)[O-])C(=O)c2ccccc21,CO,448.0
13905,O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21,CO,451.0
13906,O=C1C=C(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)c2ccccc21,CO,437.0
13907,O=C1C=C(Nc2cccc(F)c2)C(=O)c2ccccc21,CCCCCC,440.0
9643,COc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1,CCCCCC,458.0
9643,COc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1,CO,479.0
13907,O=C1C=C(Nc2cccc(F)c2)C(=O)c2ccccc21,CO,459.0
13908,O=C1C=C(Nc2cccc(F)c2F)C(=O)c2ccccc21,CCCCCC,428.0
13908,O=C1C=C(Nc2cccc(F)c2F)C(=O)c2ccccc21,CO,439.0
13909,O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21,CCCCCC,450.0
13909,O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21,CO,466.0
13911,O=C1C=C(Nc2ccccc2F)C(=O)c2ccccc21,CCCCCC,442.0
13911,O=C1C=C(Nc2ccccc2F)C(=O)c2ccccc21,CO,448.0
13912,O=C1C=C(Nc2ccccc2[N+](=O)[O-])C(=O)c2ccccc21,CO,450.0
9992,COc1ccccc1NC1=CC(=O)c2ccccc2C1=O,CCCCCC,468.0
9992,COc1ccccc1NC1=CC(=O)c2ccccc2C1=O,CO,476.0
13899,O=C1C=C(Nc2cc(F)cc(F)c2)C(=O)c2ccccc21,CO,448.0
13900,O=C1C=C(Nc2cc(F)ccc2F)C(=O)c2ccccc21,CCCCCC,430.0
13900,O=C1C=C(Nc2cc(F)ccc2F)C(=O)c2ccccc21,CO,450.0
10139,C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CCO,651.0
1922,CC1(CCCCC(=O)NCCCCCCO)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21,O,651.0
8538,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,O,648.0
8539,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,648.0
8543,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,648.0
5800,CCCN1/C(=C/C=C/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CO,637.0
5800,CCCN1/C(=C/C=C/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,645.0
5800,CCCN1/C(=C/C=C/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,O,633.0
6316,CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(C(=O)O)cc3C2(C)C)C(C)(C)c2cc(C(=O)O)ccc21,CCO,571.0
7932,CN1/C(=C/C=C/C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2cc(CC(=O)O)ccc21,CCO,660.0
6328,CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CO,638.0
4611,CCCCCCOc1ccc(N2c3ccccc3Sc3cc(-c4ccc5c(c4)Sc4cc(-c6ccc7c(c6)Sc6cc(/C=C(\C#N)C(=O)O)ccc6N7c6ccc(OCCCCCC)cc6)ccc4N5c4ccc(OCCCCCC)cc4)ccc32)cc1,ClCCl,496.0
3599,CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(-c5sc(/C=C6\SC(=S)N(C(=O)O)C6=O)c6c5OCCO6)c5nccnc45)c4c3OCCO4)cc2)cc1,Cc1ccccc1,584.0
260,C(=C/c1ccnc2ccccc12)\c1c2ccccc2cc2ccccc12,CC#N,387.0
260,C(=C/c1ccnc2ccccc12)\c1c2ccccc2cc2ccccc12,CC1CCCCC1,387.0
14372,O=[N+]([O-])c1ccc([N+]2=CC3=C(O[B-]2(F)F)c2ccccc2SC3)cc1,ClCCl,440.0
10528,Cc1cc(/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,574.0
191,C(=C/N1CCCC1)\c1nc2ccccc2nc1-c1ccccc1,CC#N,438.0
8347,COC(=O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,Cc1ccccc1,361.0
8347,COC(=O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,ClCCl,360.0
14994,c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3)cc1,C1CCOC1,329.0
14994,c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3)cc1,CC#N,341.0
14994,c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3)cc1,CCCCO,339.0
14994,c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3)cc1,CCO,338.0
14994,c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3)cc1,CN(C)C=O,338.0
14994,c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3)cc1,CO,336.0
14994,c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3)cc1,Cc1ccccc1,332.0
14994,c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3)cc1,ClCCl,332.0
8347,COC(=O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CC#N,363.0
8347,COC(=O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CCCCO,375.0
8347,COC(=O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CCO,375.0
8347,COC(=O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C(=O)OC)cc4)ccc2N3)cc1,CO,370.0
4710,CCCCCCc1cc(-c2cc3c(-c4ccc(CC(CC)CCCC)s4)c4sccc4c(-c4ccc(CC(CC)CCCC)s4)c3s2)sc1-c1cc(CCCCCC)c(-c2sc(/C=C(\C#N)C(=O)O)c3c2OCCO3)s1,C1CCOC1,501.0
8383,COC(=O)c1ccc(OCCCCCCn2c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2/C=C(\C#N)C(=O)O)cc1,ClCCl,488.0
875,CC(C)(C)OC(=O)c1ccc(OCCCCCCn2c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2/C=C(\C#N)C(=O)O)cc1,ClCCl,486.0
2668,CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)o4)c4nc5c(nc34)-c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)cc1,ClCCl,531.0
5214,CCCCCn1c2ccccc2c2cc(N3c4ccc(-c5ccc(/C=C6\SC(=S)N(CC(=O)O)C6=O)cc5)cc4[C@H]4CCC[C@H]43)ccc21,CO,456.0
12316,N#C/C(=C/c1cn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12)C(=O)O,CCO,375.0
12607,N#C/C(=C\c1cn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12)C(=O)O,CCO,375.0
4791,CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1C=C1C(=O)c2cc(C(=O)O)ccc2S1(=O)=O,ClC(Cl)Cl,614.0
10236,C[Si]1(C)c2cc3c(cc2-c2sc4ccccc4c21)[Si](C)(C)c1c-3sc2ccccc12,C1CCOC1,409.0
13440,Nc1n[n+]([O-])c2cc(F)ccc2[n+]1[O-],O,468.0
13441,Nc1n[n+]([O-])c2ccccc2[n+]1[O-],CC#N,477.0
13441,Nc1n[n+]([O-])c2ccccc2[n+]1[O-],O,457.0
9720,COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-],CC#N,432.0
9720,COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-],O,440.0
13440,Nc1n[n+]([O-])c2cc(F)ccc2[n+]1[O-],CC#N,489.0
3709,CCCCCCCC[N+]=1c2ccc(C(=O)O)cc2C(C)(C)C1/C=C1\C(=O)C(c2cc3sc(-c4ccc5c(c4)Sc4cc(OCC(CC)CCCC)ccc4N5CCCCCC)cc3s2)=C1[O-],C1CCOC1,662.0
3828,CCCCCCCCn1c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc(C=C(C#N)C(=O)O)o2)ccc1n3CCCCCCCC,C1CCOC1,540.0
395,C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/c1ccc(-c2cccs2)s1,C1CCOC1,439.0
3483,CCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(Br)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1Br,ClCCl,410.0
4193,CCCCCCOc1cc(/C=C/c2cc(OCCCCCC)c(/C=C/c3cc(OCCCCCC)c(C=C(C#N)C#N)cc3OCCCCCC)cc2OCCCCCC)c(OCCCCCC)cc1C=C(C#N)C#N,ClCCl,518.0
4196,CCCCCCOc1cc(/C=C/c2cc(OCCCCCC)c(/C=C/c3cc(OCCCCCC)c(C=O)cc3OCCCCCC)cc2OCCCCCC)c(OCCCCCC)cc1C=O,ClCCl,449.0
8564,CON(C)C(=O)c1ccc(/C=C/c2ccc(/C=C/c3ccc(C(=O)N(C)OC)cc3)cc2)cc1,c1ccccc1,368.0
8516,COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C/[N+](=O)[O-])cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C/[N+](=O)[O-])cc1,ClCCl,447.0
8517,COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(C=C(C#N)C#N)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(C=C(C#N)C#N)cc1,ClCCl,465.0
6205,CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1,CC#N,404.5
14483,O=c1c2ccccc2n(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc12,ClCCl,394.0
389,C1=C(c2ccccc2)B(c2ccccc2)N2CCN3B(c4ccccc4)C(c4ccccc4)=Cc4ccc1c2c43,ClCCl,348.0
12099,F[B-]1(F)n2c(cc3c2-c2ccccc2CC3)C(c2ccc(I)cc2)=C2C=C3CCc4ccccc4C3=[N+]21,ClC(Cl)Cl,634.0
1969,CC1=C2CCc3ccccc3C2=[N+]2C1=C(c1ccc(I)cc1)c1c(C)c3c(n1[B-]2(F)F)-c1ccccc1CC3,ClC(Cl)Cl,619.0
1875,CC1(C)c2ccccc2N(c2ccc(-c3nc4ccncc4nc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,414.0
6313,CCN1/C(=C/C2=C3CCCC(/C=C/C4=[N+](CC)c5ccccc5C4(C)C)=C3Oc3c2cc2c4c3CCCN4CCC2)C(C)(C)c2ccccc21,ClCCl,724.0
1642,CC1(C)CC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C/C(=C(/C#N)C(=O)O)C1,ClC(Cl)Cl,487.0
1643,CC1(C)CC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C/C(=C(\C#N)C(=O)O)C1,CC#N,450.0
1644,CC1(C)CC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC(=C(C#N)C#N)C1,ClC(Cl)Cl,498.0
283,C(=C/c1nc2ccccc2[nH]1)\c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1,C1CCOC1,389.0
283,C(=C/c1nc2ccccc2[nH]1)\c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1,CC#N,382.0
283,C(=C/c1nc2ccccc2[nH]1)\c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1,CC(C)=O,395.0
283,C(=C/c1nc2ccccc2[nH]1)\c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1,CN(C)C=O,390.0
283,C(=C/c1nc2ccccc2[nH]1)\c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1,CO,384.0
283,C(=C/c1nc2ccccc2[nH]1)\c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1,CS(C)=O,392.0
5438,CCCCOC(=O)/C=C/c1c(C(=O)OC)cc2ccccn12,ClCCl,394.0
4447,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5c(s4)/C(=C/c4ccc(/C=C(\C#N)C(=O)O)s4)c4ccccc4-5)s3)cc2)cc1,C1CCOC1,546.0
6320,CCN1/C(=C/C=C2\CCCc3c2[o+]c2cc4c(cc2c3-c2ccccc2C(=O)N(C)CCCC(=O)O)C(CS(=O)(=O)[O-])=CC(C)(C)N4CC)C(C)(C)c2c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc21,CCO,765.0
7359,CN(C)c1ccc(-c2nc(C#N)c(C#N)n2C)cc1,CO,309.0
7359,CN(C)c1ccc(-c2nc(C#N)c(C#N)n2C)cc1,ClC(Cl)Cl,326.0
7359,CN(C)c1ccc(-c2nc(C#N)c(C#N)n2C)cc1,C1CCCCC1,323.0
7359,CN(C)c1ccc(-c2nc(C#N)c(C#N)n2C)cc1,CC#N,313.0
11650,Cc1cscc1-c1cc2c3cc(-c4cscc4C)c4nc(C(F)(F)C(F)(F)C(F)(F)F)nc5c(-c6cscc6C)cc(c6cc(-c7cscc7C)c7nc(C(F)(F)C(F)(F)C(F)(F)F)nc1c7c26)c3c45,C1CCOC1,493.0
11944,FC(F)(F)C(F)(F)C(F)(F)c1nc2c(-c3ccsc3)cc3c4cc(-c5ccsc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccsc7)cc(c7cc(-c8ccsc8)c(n1)c2c37)c4c56,C1CCOC1,538.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,C1CCCCC1,376.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,C1CCOC1,376.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,C1COCCO1,377.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,CC#N,372.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,CCCCCCC,373.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,CCO,377.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,CN(C)C=O,375.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,CO,377.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,O,391.0
11697,Cc1nn(-c2ccccc2)c(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c1C#N,OCCO,379.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,C1CCOC1,390.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,C1COCCO1,389.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,CC#N,389.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,CC1CCCCC1,386.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,CCOC(C)=O,387.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,CCOCC,386.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,CN(C)C=O,392.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,COC(C)=O,389.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,CS(C)=O,396.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,Cc1ccccc1,393.0
7455,CN(C)c1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1,ClC(Cl)Cl,393.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1COCCO1,440.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CC#N,435.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCCCCC,438.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCO,446.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCOC(C)=O,437.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CN(C)C=O,440.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CS(C)=O,446.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,Cc1ccccc1,443.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,ClCCl,445.0
4403,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1CCOC1,441.0
10090,C[C@H]1CC(C)(C)N(C)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,CCO,462.0
2177,CC1CC(C)(C)N(C)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,CCO,462.0
13129,N#Cc1ccc(/C=C2\C=C(c3ccccc3)NC2=O)cc1,C1COCCO1,438.0
13972,O=C1NC(c2ccccc2)=C/C1=C\c1ccccc1,C1COCCO1,422.0
1369,CC(C)CN1C(=O)/C(=C/c2ccc(C#N)cc2)C=C1c1ccccc1,C1COCCO1,440.0
1370,CC(C)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccccc1,C1COCCO1,456.0
8362,COC(=O)c1ccc(/C=C2\C=C(c3ccccc3)NC2=O)cc1,C1COCCO1,437.0
9421,COc1ccc(C2=C/C(=C\c3ccccc3)C(=O)N2)cc1OC,C1COCCO1,431.0
9418,COc1ccc(C2=C/C(=C\c3ccc(C#N)cc3)C(=O)N2)cc1OC,C1COCCO1,457.0
8356,COC(=O)c1ccc(/C=C2\C=C(c3ccc(C#N)cc3)N(CC(C)C)C2=O)cc1,C1COCCO1,438.0
9420,COc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2CC(C)C)cc1,C1COCCO1,465.0
8358,COC(=O)c1ccc(/C=C2\C=C(c3ccc(OC)c(OC)c3)NC2=O)cc1,C1COCCO1,454.0
8360,COC(=O)c1ccc(/C=C2\C=C(c3ccc([N+](=O)[O-])cc3)N(CC(C)C)C2=O)cc1,C1COCCO1,442.0
599,CC(=O)Nc1ccc(C2=C/C(=C\c3ccc(C#N)cc3)C(=O)N2)cc1,C1COCCO1,456.0
600,CC(=O)Nc1ccc(C2=C/C(=C\c3ccc(C#N)cc3)C(=O)N2CC(C)C)cc1,C1COCCO1,450.0
1247,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)nc1,Cc1ccccc1,365.7686212
3699,CCCCCCCC[N+]1=C(/C=C2\C(=O)C(/C=c3/c4cccc5cccc(c54)n3CCCCCC)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CCO,771.0
3905,CCCCCCCN\1C2=CC=CC3=C2C(=CC=C3)/C1=C/C4=C(/C(=C/C5=[N+](C6=C(C5(C)C)C=C(C=C6)C(=O)O)CCCC)/C4=O)[O-],CCO,782.0
11556,Cc1cccc2c3ccccc3n(-c3ccc(-c4c(-c5ccccc5)c(C#N)c(C#N)c(-c5ccccc5)c4-c4ccc(-n5c6ccccc6c6cccc(C)c65)cc4)cc3)c12,Cc1ccccc1,339.0
9691,COc1ccc2c(COc3ccc(Cl)cc3/C=N/N=C/c3cc(Cl)ccc3OCc3cc(=O)oc4cc(OC)ccc34)cc(=O)oc2c1,C1CCOC1,326.0
9692,COc1ccc2c(COc3ccccc3/C=N/N=C/c3ccccc3OCc3cc(=O)oc4cc(OC)ccc34)cc(=O)oc2c1,C1CCOC1,319.0
9310,COc1ccc(/C=N/N=C/c2ccc(OC)cc2OCc2cc(=O)oc3cc(OC)ccc23)c(OCc2cc(=O)oc3cc(OC)ccc23)c1,C1CCOC1,321.0
15174,c1ccc(-n2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc2-c2ccccn2)cc1,ClCCl,341.0
11835,Cn1c(=O)c(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(O)c2ccccc21,Cc1ccccc1,486.0
11835,Cn1c(=O)c(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(O)c2ccccc21,ClCCl,487.0
11835,Cn1c(=O)c(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(O)c2ccccc21,O,476.0
11835,Cn1c(=O)c(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(O)c2ccccc21,C1CCOC1,490.0
11835,Cn1c(=O)c(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(O)c2ccccc21,CC(C)=O,483.0
11835,Cn1c(=O)c(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(O)c2ccccc21,CCOC(C)=O,482.0
11835,Cn1c(=O)c(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(O)c2ccccc21,CO,475.0
11835,Cn1c(=O)c(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(O)c2ccccc21,CS(C)=O,487.0
11836,Cn1c(=O)c(/N=N/c2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c(O)c2ccccc21,C1CCOC1,412.0
11836,Cn1c(=O)c(/N=N/c2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c(O)c2ccccc21,CC(C)=O,407.0
11836,Cn1c(=O)c(/N=N/c2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c(O)c2ccccc21,CCOC(C)=O,411.0
11836,Cn1c(=O)c(/N=N/c2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c(O)c2ccccc21,CO,400.0
11836,Cn1c(=O)c(/N=N/c2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c(O)c2ccccc21,CS(C)=O,396.0
11836,Cn1c(=O)c(/N=N/c2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c(O)c2ccccc21,Cc1ccccc1,414.0
11836,Cn1c(=O)c(/N=N/c2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c(O)c2ccccc21,ClCCl,415.0
11836,Cn1c(=O)c(/N=N/c2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c(O)c2ccccc21,O,385.0
5371,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Oc2cc(-c3ccc(C=O)cc3)ccc21,C1CCOC1,432.0
5371,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Oc2cc(-c3ccc(C=O)cc3)ccc21,CC#N,429.0
5371,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Oc2cc(-c3ccc(C=O)cc3)ccc21,CC(C)=O,427.0
5371,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Oc2cc(-c3ccc(C=O)cc3)ccc21,CCCCCC,414.0
5371,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Oc2cc(-c3ccc(C=O)cc3)ccc21,CS(C)=O,441.0
5371,CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Oc2cc(-c3ccc(C=O)cc3)ccc21,Cc1ccccc1,429.0
3043,CCCCCCCCCCC1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3\N(C)c4ccc(-c5ccc(C=C(C#N)C(=O)O)cc5)cc4C3(C)C)=C2[O-])=[N+](CCCCCC)c2ccccc21,ClC(Cl)Cl,654.0
3311,CCCCCCCCCC[C@]1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3\N(C)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)cc4C3(C)C)=C2[O-])=[N+](CCCCCC)c2ccccc21,ClC(Cl)Cl,654.0
3302,CCCCCCCCCC[C@@]1(CCCCCCCC)/C(=C\C2=C([O-])/C(=C\C3=[N+](C)c4ccccc4C3(C)C)C2=O)N(CCCCCCC)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc21,ClC(Cl)Cl,654.0
3040,CCCCCCCCCCC1(CCCCCCCC)/C(=C/C2=C([O-])/C(=C\C3=[N+](C)c4ccccc4C3(C)C)C2=O)N(CCCCCCC)c2ccc(-c3ccc(C=C(C#N)C(=O)O)cc3)cc21,ClC(Cl)Cl,654.0
3921,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(N(CCCCCC)CCCCCC)cc4)cc3)cc2)cc1,Cc1ccccc1,374.0
6643,CCOC(=O)c1c(-c2c(Cl)c3cc(C)ccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC,ClCCl,331.0
6644,CCOC(=O)c1c(-c2c(Cl)c3cc(C)ccc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC,ClCCl,331.0
6645,CCOC(=O)c1c(-c2c(Cl)c3cc(C)ccc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC,ClCCl,332.0
6646,CCOC(=O)c1c(-c2c(Cl)c3ccccc3oc2=O)nn(-c2ccc(Br)cc2)c1C(=O)OCC,ClCCl,322.0
6647,CCOC(=O)c1c(-c2c(Cl)c3ccccc3oc2=O)nn(-c2ccc(OC)cc2)c1C(=O)OCC,ClCCl,321.0
6648,CCOC(=O)c1c(-c2c(Cl)c3ccccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC,ClCCl,321.0
6649,CCOC(=O)c1c(-c2c(Cl)c3ccccc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC,ClCCl,321.0
6650,CCOC(=O)c1c(-c2c(Cl)c3ccccc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC,ClCCl,322.0
6654,CCOC(=O)c1c(-c2cc3cc(OC)ccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC,ClCCl,351.0
6655,CCOC(=O)c1c(-c2cc3cc(OC)ccc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC,ClCCl,352.0
6659,CCOC(=O)c1c(-c2cc3ccc(OC)cc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC,ClCCl,337.0
6660,CCOC(=O)c1c(-c2cc3ccc(OC)cc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC,ClCCl,337.0
6661,CCOC(=O)c1c(-c2cc3ccc(OC)cc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC,ClCCl,337.0
6662,CCOC(=O)c1c(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC,ClCCl,338.0
6663,CCOC(=O)c1c(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC,ClCCl,339.0
6664,CCOC(=O)c1c(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC,ClCCl,341.0
6665,CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(Br)cc2)c1C(=O)OCC,ClCCl,323.0
6666,CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(C)c(C)c2)c1C(=O)OCC,ClCCl,322.0
6667,CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(Cl)cc2)c1C(=O)OCC,ClCCl,323.0
6668,CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(OC)cc2)c1C(=O)OCC,ClCCl,323.0
6669,CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC,ClCCl,321.0
6670,CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC,ClCCl,325.0
6671,CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(F)c2)c1C(=O)OCC,ClCCl,324.0
6672,CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC,ClCCl,323.0
6676,CCOC(=O)c1c(C(=O)OC)c(-c2cc3cc(OC)ccc3oc2=O)nn1-c1ccccc1,ClCCl,351.0
8250,COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(Br)cc2)c1C(=O)OC,ClCCl,325.0
8251,COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OC,ClCCl,324.0
8252,COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OC,ClCCl,273.0
8253,COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(F)c2)c1C(=O)OC,ClCCl,323.0
8254,COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccccc2)c1C(=O)OC,ClCCl,322.0
1545,CC/[NH+]=c1\cc2oc3cc(NCCC(=O)NC(C(=O)OC)c4ccccc4)c4ccccc4c3nc-2cc1C,CCO,580.0
1545,CC/[NH+]=c1\cc2oc3cc(NCCC(=O)NC(C(=O)OC)c4ccccc4)c4ccccc4c3nc-2cc1C,O,590.0
9770,COc1ccc2c3c(c4ccc(OC)cc4c2c1)C(C)(C)c1ccccc1-3,C1CCCCC1,388.0
3611,CCCCCCCCOc1ccc2c3c(c4ccc(OCCCCCCCC)cc4c2c1)C(C)(C)c1ccccc1-3,C1CCCCC1,388.0
9703,COc1ccc2c(c1)C(C)(C)c1c-2c2ccc(OC)cc2c2cc(OC)ccc12,C1CCCCC1,394.0
7113,CCn1c(-c2ccc(-c3ncc(/C=C(\C#N)C(=O)O)s3)s2)nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,458.0
15118,c1ccc(-c2nc3sc4cc5c(cc4c3s2)OCO5)cc1,CS(C)=O,359.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,C1CCCCC1,423.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,C1CCOC1,438.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,C1COCCO1,436.2
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CC#N,444.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CC(C)=O,441.2
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CC1COC(=O)O1,445.6
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CCCCCCCCO,445.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CCCCCO,446.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CCCCO,444.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CCCO,445.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CCO,446.8
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CCOC(C)=O,436.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CN(C)C=O,447.2
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CO,445.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,CS(C)=O,452.0
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,Cc1ccccc1,435.8
14062,O=C1c2ccccc2-c2ccc(N3CCN(c4ccccc4)CC3)c3cccc1c23,ClC(Cl)Cl,443.0
8247,COC(=O)c1[nH]c(-c2ccccc2)c2nnc3c4ccccc4oc3c12,ClCCl,403.0
13703,O=C(O)c1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)cc1,CO,387.0
3697,CCCCCCCC[N+]1=C(/C=C2\C(=O)C(/C=c3/c4cccc5c(OCCCC)ccc(c54)n3CCCCCC)=C2[O-])C(C)(C)c2c1ccc1cc(C(=O)O)ccc21,CCO,806.0
3698,CCCCCCCC[N+]1=C(/C=C2\C(=O)C(/C=c3/c4cccc5cccc(c54)n3CCCCCC)=C2[O-])C(C)(C)c2c1ccc1cc(C(=O)O)ccc21,CCO,784.0
3353,CCCCCCCCN(CCCCCCCC)c1ccc2c3c1cccc3/c(=C/C1=C([O-])/C(=C/C3=[N+](CCCCCCCC)c4ccc5cc(C(=O)O)ccc5c4C3(C)C)C1=O)n2CCCCCC,CCO,820.0
3694,CCCCCCCC[N+]1=C(/C=C2\C(=O)C(/C=c3/c4cccc5c(C[C@H](CC)CCCC)ccc(c54)n3CCCCCC)=C2[O-])C(C)(C)c2c1ccc1cc(C(=O)O)ccc21,CCO,796.0
3695,CCCCCCCC[N+]1=C(/C=C2\C(=O)C(/C=c3/c4cccc5c(N(CCCC)CCCC)ccc(c54)n3CCCCCC)=C2[O-])C(C)(C)c2c1ccc1cc(C(=O)O)ccc21,CCO,818.0
3696,CCCCCCCC[N+]1=C(/C=C2\C(=O)C(/C=c3/c4cccc5c(N(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC)ccc(c54)n3CCCCCC)=C2[O-])C(C)(C)c2c1ccc1cc(C(=O)O)ccc21,CCO,815.0
10980,Cc1ccc(-c2nc(/C=C/c3ccccc3)c(/C=C/c3ccccc3)[nH]2)cc1,ClCCl,355.0
14302,O=[N+]([O-])c1ccc(-c2nc(/C=C/c3ccc(Cl)cc3)c(/C=C/c3ccc(Cl)cc3)[nH]2)cc1,ClCCl,425.0
14303,O=[N+]([O-])c1ccc(-c2nc(/C=C/c3ccccc3)c(/C=C/c3ccccc3)[nH]2)cc1,ClCCl,435.0
11067,Cc1ccc(/C=C/c2nc(-c3ccc(C)cc3)[nH]c2/C=C/c2ccc(C)cc2)cc1,ClCCl,365.0
11068,Cc1ccc(/C=C/c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2/C=C/c2ccc(C)cc2)cc1,ClCCl,445.0
11069,Cc1ccc(/C=C/c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2/C=C/c2ccc(C)cc2)cc1,ClCCl,370.0
11070,Cc1ccc(/C=C/c2nc(-c3ccccc3)[nH]c2/C=C/c2ccc(C)cc2)cc1,ClCCl,365.0
11768,Clc1ccc(/C=C/c2nc(-c3ccccc3)[nH]c2/C=C/c2ccc(Cl)cc2)cc1,ClCCl,375.0
275,C(=C/c1nc(-c2ccccc2)[nH]c1/C=C/c1ccccc1)\c1ccccc1,ClCCl,365.0
9293,COc1ccc(/C=C/c2nc(-c3ccc(C)cc3)[nH]c2/C=C/c2ccc(OC)cc2)cc1,ClCCl,375.0
9294,COc1ccc(/C=C/c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2/C=C/c2ccc(OC)cc2)cc1,ClCCl,455.0
9295,COc1ccc(/C=C/c2nc(-c3ccccc3)[nH]c2/C=C/c2ccc(OC)cc2)cc1,ClCCl,380.0
10979,Cc1ccc(-c2nc(/C=C/c3ccc(Cl)cc3)c(/C=C/c3ccc(Cl)cc3)[nH]2)cc1,ClCCl,385.0
14524,O=c1nc(-c2ccc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2)c2c(=O)nc(-c3ccccc3)c1=2,CCO,543.0
14525,O=c1nc(-c2ccc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)cc2)c2c(=O)nc(-c3ccccc3)c1=2,CCO,541.0
14985,c1ccc(-c2ccc(-c3ccc4c(c3)CCCO4)cc2)cc1,C1CCCCC1,289.0
5021,CCCCCCn1c2c(c3cc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,416.0
15332,c1ccc([B-]23Oc4ccccc4-c4c5[n+]6c(c([n+]42)-c2ccccc2O3)-c2ccccc2O[B-]6(c2ccccc2)Oc2ccccc2-5)cc1,ClCCl,574.0
2823,CCCCCC(CC)n1c2ccc(OC)cc2c2cc(-c3ccc(C=C(C#N)C(=O)O)o3)c3ccccc3c21,ClCCl,462.0
5175,CCCCC[C@@H](CC)n1c2ccc(OC)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)c3ccccc3c21,ClCCl,462.0
14250,O=S(=O)(c1ccccc1)c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1,Cc1ccccc1,360.0
12956,N#Cc1c(-n2nnc3c2CCC2C(CC3)[C@@H]2CO)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12,CO,287.0
1115,CC(C)(C)c1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(C(C)(C)C)cc2)cc1,CCO,644.0
1115,CC(C)(C)c1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(C(C)(C)C)cc2)cc1,ClCCl,644.0
13735,O=C(O)c1ccc(C#C/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccccc2)=C2/C=CC(=N2)/C=4N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,445.0
13736,O=C(O)c1ccc(C#C/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccccc2)=C2/C=CC(=N2)/C=4N(c2ccccc2)c2ccccc2)cc1O,C1CCOC1,448.0
3769,CCCCCCCCc1cccc(CCCCCCCC)c1/C1=C2\C=CC(=N2)/C(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)c(O)c1)=C1/C=CC(=N1)/C=3c1c(CCCCCCCC)cccc1CCCCCCCC,C1CCOC1,448.0
3770,CCCCCCCCc1cccc(CCCCCCCC)c1/C1=C2\C=CC(=N2)/C(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(CCCCCCCC)cccc1CCCCCCCC,C1CCOC1,447.0
12745,N#CC(=Cc1ccc(C#C/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccccc2)=C2/C=CC(=N2)/C=4N(c2ccccc2)c2ccccc2)cc1)C(=O)O,C1CCOC1,453.0
4953,CCCCCCc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(CCCCCC)cc2)cc1,C1CCOC1,647.0
4953,CCCCCCc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(CCCCCC)cc2)cc1,CCO,646.0
5172,CCCCCOc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(OCCCCC)cc2)cc1,CCO,665.0
13527,O=C(O)C(=Cc1ccc(C#C/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccccc2)=C2/C=CC(=N2)/C=4N(c2ccccc2)c2ccccc2)cc1)C(=O)O,C1CCOC1,449.0
9525,COc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(OC)cc2)cc1,CCO,664.0
970,CC(C)(C)c1cc2c3c(c1)C(C)(C)c1cc(C(C)(C)C)cc4c1N3c1c(cc(-c3cc5sc(/C=C/c6cc7sc(/C=C(\C#N)C(=O)S)cc7s6)cc5s3)cc1C4(C)C)C2(C)C,C1CCOC1,474.0
4691,CCCCCCc1c(/C=C/c2sc3c(CCCCCC)c(-c4cc5c6c(c4)C(C)(C)c4cc(C(C)(C)C)cc7c4N6c4c(cc(C(C)(C)C)cc4C7(C)C)C5(C)C)sc3c2CCCCCC)sc2c(CCCCCC)c(/C=C(\C#N)C(=O)S)sc12,C1CCOC1,481.0
5338,CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c(=O)[nH]/c(=C\c6ccc7ccccc7n6)c6cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c4c56,ClCCl,626.0
12355,N#C/C(=C\c1cc2c(c3ccccc13)N(c1ccc(C=C(c3ccccc3)c3ccccc3)cc1)C1CCCC21)C(=O)O,ClC(Cl)Cl,507.0
12025,F[B-]1(F)OC(c2ccc(Br)cc2)=Cc2ccc3ccccc3[n+]21,ClC(Cl)Cl,430.0
12029,F[B-]1(F)OC(c2ccc(C(F)(F)F)cc2)=Cc2ccc3ccccc3[n+]21,ClC(Cl)Cl,424.0
11175,Cc1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,432.0
12036,F[B-]1(F)OC(c2cccc(Br)c2)=Cc2ccc3ccccc3[n+]21,ClC(Cl)Cl,426.0
12044,F[B-]1(F)OC(c2ccccc2)=Cc2ccc3ccccc3[n+]21,ClC(Cl)Cl,427.0
12044,F[B-]1(F)OC(c2ccccc2)=Cc2ccc3ccccc3[n+]21,ClCCl,426.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,472.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1COCCO1,472.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CC#N,468.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CC1CCCCC1,473.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CCOC(C)=O,468.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CCOCC,467.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CN(C)C=O,474.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CO,468.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,COC(C)=O,468.0
7570,CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,477.0
9451,COc1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,439.0
11539,Cc1cccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)c1,ClC(Cl)Cl,429.0
12235,Fc1cccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)c1,ClC(Cl)Cl,425.0
8885,COc1cc2cc(OC)c(-c3ccc([N+](=O)[O-])cc3)cc2cc1-c1ccc([N+](=O)[O-])cc1,ClCCl,337.0
8885,COc1cc2cc(OC)c(-c3ccc([N+](=O)[O-])cc3)cc2cc1-c1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,336.0
1907,CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)c4nsnc34)cc21,Cc1ccccc1,475.4180602
2897,CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-1,ClC(Cl)Cl,440.0
60,C#C/C(=C\c1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2c4c(c5c(c2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc2-5)C(CCCCCC)(CCCCCC)c2cc(-c3ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc3)ccc2-4)s1)C(=O)O,CC#N,474.0
2909,CCCCCCC1(CCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)c4nsnc34)cc21,ClCCl,496.0
10101,C[C@]12SC(=O)C=C1c1nc(-c3ccc(Cl)cc3)[nH]c1C1=CC(=O)S[C@@]12C,CC#N,451.0
10102,C[C@]12SC(=O)C=C1c1nc(-c3ccc(Cl)cc3Cl)[nH]c1C1=CC(=O)S[C@@]12C,CC#N,475.0
10103,C[C@]12SC(=O)C=C1c1nc(-c3ccc(O)cc3)[nH]c1C1=CC(=O)S[C@@]12C,CC#N,470.0
10104,C[C@]12SC(=O)C=C1c1nc(-c3ccccc3)[nH]c1C1=CC(=O)S[C@@]12C,CC#N,460.0
10105,C[C@]12SC(=O)C=C1c1nc(-c3ccccc3O)[nH]c1C1=CC(=O)S[C@@]12C,CC#N,455.0
9138,COc1ccc(-c2nc3c([nH]2)C2=CC(=O)S[C@]2(C)[C@@]2(C)SC(=O)C=C32)cc1,CC#N,392.0
9887,COc1cccc(-c2nc3c([nH]2)C2=CC(=O)S[C@]2(C)[C@@]2(C)SC(=O)C=C32)c1OC,CC#N,397.0
9958,COc1ccccc1-c1nc2c([nH]1)C1=CC(=O)S[C@]1(C)[C@@]1(C)SC(=O)C=C21,CC#N,390.0
10986,Cc1ccc(-c2nc3c([nH]2)C2=CC(=O)S[C@]2(C)[C@@]2(C)SC(=O)C=C32)cc1,CC#N,455.0
5862,CCCc1[o+]c2c(CCC)c(CCC)c3cc4cccc5ccc6cc(c1CCC)c2c3c6c54,ClCCl,582.0
9198,COc1ccc(-n2c3ccccc3c3cc(-c4cc5sc6cc(C=C(C#N)C(=O)O)sc6c5s4)ccc32)cc1,C1COCCO1,428.0
9198,COc1ccc(-n2c3ccccc3c3cc(-c4cc5sc6cc(C=C(C#N)C(=O)O)sc6c5s4)ccc32)cc1,CCO,428.0
2865,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5cccc(C)c45)ccc(c23)C1=O,CCCCCC,326.6
2865,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5cccc(C)c45)ccc(c23)C1=O,CCCCCCCCCCCCCC,327.0
2865,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5cccc(C)c45)ccc(c23)C1=O,CCCCCCCCCCCO,329.0
2865,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5cccc(C)c45)ccc(c23)C1=O,CCCCO,327.8
2865,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5cccc(C)c45)ccc(c23)C1=O,CN(C)C=O,328.8
2865,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5cccc(C)c45)ccc(c23)C1=O,Cc1ccccc1,328.8
2865,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5cccc(C)c45)ccc(c23)C1=O,ClC(Cl)Cl,329.0
2866,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CCCCCC,322.6
2866,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CCCCCCCCCCCCCC,322.6
2866,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CCCCCCCCCCCO,323.8
2866,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CCCCO,323.6
2866,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CN(C)C=O,323.8
2866,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,Cc1ccccc1,324.0
2866,CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,ClC(Cl)Cl,325.0
5750,CCCCn1c2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc(OC)cc3)cc2c2cc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc(OC)cc3)ccc21,ClCCl,406.0
5751,CCCCn1c2ccc(N(c3ccccc3)c3ccc(OC)cc3)cc2c2cc(N(c3ccc(/C=C(/C#N)C(=O)O)cc3)c3ccc(OC)cc3)ccc21,ClCCl,424.0
5752,CCCCn1c2ccc(N(c3ccccc3)c3ccc(OC)cc3)cc2c2cc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc(OC)cc3)ccc21,ClCCl,424.0
5749,CCCCn1c2ccc(N(c3ccc(/C=C(/C#N)C(=O)O)cc3)c3ccc(OC)cc3)cc2c2cc(N(c3ccc(/C=C(/C#N)C(=O)O)cc3)c3ccc(OC)cc3)ccc21,ClCCl,406.0
12087,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2ccc3ccccc3[n+]21,CC#N,481.0
12087,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2ccc3ccccc3[n+]21,CCCCCC,490.0
12087,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2ccc3ccccc3[n+]21,Cc1ccccc1,490.0
12087,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2ccc3ccccc3[n+]21,ClCCl,455.0
12087,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2ccc3ccccc3[n+]21,C1CCOC1,486.0
644,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,C1CCOC1,464.0
644,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,CC#N,468.0
644,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,CC(C)=O,464.0
644,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,CS(C)=O,478.0
644,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,Cc1ccccc1,468.0
644,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,ClC(Cl)Cl,474.0
644,CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,ClCCl,472.0
9240,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c4ccccc34)=[O+][B-](F)(F)O2)c2ccccc12,CC#N,530.0
9240,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c4ccccc34)=[O+][B-](F)(F)O2)c2ccccc12,CC(C)=O,532.0
9240,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c4ccccc34)=[O+][B-](F)(F)O2)c2ccccc12,CCOC(C)=O,524.0
9240,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c4ccccc34)=[O+][B-](F)(F)O2)c2ccccc12,CCOCC,516.0
9240,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c4ccccc34)=[O+][B-](F)(F)O2)c2ccccc12,ClC(Cl)(Cl)Cl,523.0
9240,COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c4ccccc34)=[O+][B-](F)(F)O2)c2ccccc12,ClCCl,536.0
5121,CCCCCCn1c2ccccc2c2cc(C#Cc3ccc(N(c4ccc(C#Cc5ccc6c(c5)c5ccccc5n6CCCCCC)cc4)c4ccc(C=C(C#N)C(=O)O)cc4)cc3)ccc21,ClCCl,438.0
2905,CCCCCCC1(CCCCCC)c2cc(-c3nc4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cnc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,457.0
14937,c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1,ClCCl,493.0
7079,CCc1cccc(CC)c1-c1c2ccccc2c(-c2c(CC)cccc2CC)c2cc3ccccc3cc12,ClCCl,495.0
8947,COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cc4ccccc4cc23)cc1,ClCCl,495.0
10099,C[C@](c1ccc(OCCCCCCN2c3ccccc3Sc3cc(/C=C(/C#N)C(=O)O)ccc32)cc1)(c1ccc(OCCCCCCN2c3ccccc3Sc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1)c1ccc(OCCCCCN2c3ccccc3Sc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,CN(C)C=O,413.0
2189,CC1CC(C)(C)N(C)c2ccc(C=Cc3ccc(C=Cc4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,CCO,492.0
10096,C[C@H]1CC(C)(C)N(C)c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,CCO,492.0
1605,CC1(C)C(c2ccc(/C=C(\C#N)C(=O)O)s2)=Nc2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,464.0
3682,CCCCCCCC[N+]1=C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)(C)c2cc(C(=O)O)ccc21,CCO,552.0
3042,CCCCCCCCCCC1(CCCCCCCC)C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=[N+](CCCCCC)c2ccc(C(=O)O)cc21,CO,559.0
10136,C[N+]1=C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)(C)c2cc(C(=O)O)ccc21,CO,549.0
4670,CCCCCC[N+]1=C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)(C)c2cc(C(=O)O)ccc21,CO,551.0
2053,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC#N,499.0
2053,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,502.0
2053,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCO,500.0
2053,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)c1c(C)cc(C)n1[B-]2(F)F,CN(C)C=O,500.0
2053,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)c1c(C)cc(C)n1[B-]2(F)F,Cc1ccccc1,504.0
2053,CC1=CC(C)=[N+]2C1=C(c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,502.0
12130,F[B-]1(F)n2cccc2C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C2C=CC=[N+]21,CC#N,498.0
12130,F[B-]1(F)n2cccc2C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C2C=CC=[N+]21,CCCCCC,501.0
12130,F[B-]1(F)n2cccc2C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C2C=CC=[N+]21,CCO,500.0
12130,F[B-]1(F)n2cccc2C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C2C=CC=[N+]21,CN(C)C=O,502.0
12130,F[B-]1(F)n2cccc2C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C2C=CC=[N+]21,Cc1ccccc1,505.0
12130,F[B-]1(F)n2cccc2C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C2C=CC=[N+]21,ClCCl,502.0
2438,CCC1=C(C)C2=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,523.0
2438,CCC1=C(C)C2=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCC,526.0
2438,CCC1=C(C)C2=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCO,525.0
2438,CCC1=C(C)C2=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,526.0
2438,CCC1=C(C)C2=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,529.0
2438,CCC1=C(C)C2=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,527.0
2138,CC1=[N+]2C(=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,508.0
2138,CC1=[N+]2C(=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCCCCC,512.0
2138,CC1=[N+]2C(=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCO,511.0
2138,CC1=[N+]2C(=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CN(C)C=O,512.0
2138,CC1=[N+]2C(=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,516.0
2138,CC1=[N+]2C(=C(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,ClCCl,513.0
981,CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4c(N(c5ccccc5)c5ccccc5)cc(c1)c2c34,CCCCCC,392.0
9158,COc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1,CS(C)=O,355.0
4428,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc5c6sc(/C=C(\C#N)C(=O)O)cc6n(-c6ccc(OCCCCCC)cc6)c5c3n4-c3ccc(OCCCCCC)cc3)cc2)cc1,ClCCl,560.0
4430,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc5c6sc(C=C(C#N)C(=O)O)cc6n(-c6ccc(CCCCCC)cc6)c5c3n4-c3ccc(CCCCCC)cc3)cc2)cc1,ClCCl,560.0
4431,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc5c6sc(C=C(C#N)C(=O)O)cc6n(-c6ccc(OCCCCCC)cc6)c5c3n4-c3ccc(OCCCCCC)cc3)cc2)cc1,ClCCl,560.0
6431,CCN1c2cc3c(cc2N(CC)C2CCCCC21)C(c1ccccc1C(=O)[O-])=c1cc2c4c(c1O3)CCC[N+]=4CCC2,CCO,593.0
15391,c1ccc2c(c1)B1c3ccccc3-c3ccc4c5c3N1C1=C2c2ccccc2B(c2ccccc2-4)N15,ClCCl,411.0
11508,Cc1cccc(-c2c3ccccc3c(-c3cccc(C)n3)c3ccccc23)n1,ClCCl,393.0
13994,O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C[C@H]2c2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1,ClC(Cl)Cl,295.0
5196,CCCCCc1ccc(-c2ccc(C#Cc3cc(C#Cc4ccc(-c5ccc(CCCCC)cc5)cc4)c4ccc5c(C(=O)c6ccccc6)cc(C#Cc6ccc(-c7ccc(CCCCC)cc7)cc6)c6ccc3c4c65)cc2)cc1,ClCCl,466.0
2318,CCC1(CC)c2cc(-c3ccc4c(c3)C(CC)(CC)c3cc(C(C)(C)C)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(C(C)(C)C)ccc3-4)cc21,CO,349.5762712
2528,CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)ccc3-4)cc21,C1CCCCC1,350.0
2504,CCCC1(CCC)c2cc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(C(C)(C)CC)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(C(C)(C)CC)ccc3-4)cc21,C1CCCCC1,351.0
2703,CCCCC(CC)Cn1c2c3ccc(-c4ccc5c6ccccc6n(CC)c5c4)cc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,473.0
12605,N#C/C(=C\c1ccncc1)c1nc(-c2ccc(Cl)cc2)cs1,CC#N,357.0
12606,N#C/C(=C\c1ccncc1)c1nc(-c2ccccc2)cs1,CN(C)C=O,368.0
12606,N#C/C(=C\c1ccncc1)c1nc(-c2ccccc2)cs1,CS(C)=O,371.0
12606,N#C/C(=C\c1ccncc1)c1nc(-c2ccccc2)cs1,Cc1ccccc1,372.0
12606,N#C/C(=C\c1ccncc1)c1nc(-c2ccccc2)cs1,ClCCl,418.0
12606,N#C/C(=C\c1ccncc1)c1nc(-c2ccccc2)cs1,CC#N,361.0
12606,N#C/C(=C\c1ccncc1)c1nc(-c2ccccc2)cs1,CCO,370.0
9103,COc1ccc(-c2csc(/C(C#N)=C/c3ccncc3)n2)cc1,CC#N,382.0
9103,COc1ccc(-c2csc(/C(C#N)=C/c3ccncc3)n2)cc1,CCO,392.0
9103,COc1ccc(-c2csc(/C(C#N)=C/c3ccncc3)n2)cc1,CN(C)C=O,388.0
9103,COc1ccc(-c2csc(/C(C#N)=C/c3ccncc3)n2)cc1,CS(C)=O,390.0
9103,COc1ccc(-c2csc(/C(C#N)=C/c3ccncc3)n2)cc1,Cc1ccccc1,392.0
9103,COc1ccc(-c2csc(/C(C#N)=C/c3ccncc3)n2)cc1,ClCCl,389.0
14841,c1cc(N2CCCC2)ccn1,CC#N,285.0
14841,c1cc(N2CCCC2)ccn1,CC1CCCCC1,293.0
14841,c1cc(N2CCCC2)ccn1,CCCCCCC,293.0
14841,c1cc(N2CCCC2)ccn1,CCO,286.0
14841,c1cc(N2CCCC2)ccn1,CN(C)C=O,284.0
14841,c1cc(N2CCCC2)ccn1,ClC(Cl)Cl,285.0
14841,c1cc(N2CCCC2)ccn1,O,280.0
4033,CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2ccc(-c3ccc4ccccc4c3)cc21,C1CCOC1,434.0
10359,Cc1c2c(n3ccc(-c4ccccc4)cc13)C(=O)N(C(C)CO)C2,ClCCl,349.0
8366,COC(=O)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)NC2=O)cc1,C1COCCO1,405.0
8367,COC(=O)c1ccc(/C=C2\N=C(c3ccccc3)NC2=O)cc1,C1COCCO1,394.0
9454,COc1ccc(C2=N/C(=C\c3ccc(C#N)cc3)C(=O)N2)cc1OC,C1COCCO1,405.0
9456,COc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2)cc1OC,C1COCCO1,390.0
13978,O=C1NC(c2ccccc2)=N/C1=C\c1ccccc1,C1COCCO1,384.0
13131,N#Cc1ccc(/C=C2\N=C(c3ccccc3)NC2=O)cc1,C1COCCO1,393.0
8364,COC(=O)c1ccc(/C=C2\N=C(c3ccc(OC)c(OC)c3)NC2=O)cc1,C1COCCO1,403.0
15411,c1ccc2c(c1)Oc1ccccc1C21c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21,ClC(Cl)Cl,364.0
11028,Cc1ccc(/C2=C3/N=C(C(c4ccccc4)=C3c3ccccc3)/C(c3ccc(C)cc3)=c3\[nH]/c(c(-c4ccccc4)c3-c3ccccc3)=C(/c3ccc(C)cc3)C3=N/C(=C(/c4ccc(C)cc4)c4[nH]c2c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)cc1,ClCCl,721.0
13117,N#Cc1ccc(/C2=C3/N=C(C(c4ccccc4)=C3c3ccccc3)/C(c3ccc(C#N)cc3)=c3\[nH]/c(c(-c4ccccc4)c3-c3ccccc3)=C(/c3ccc(C#N)cc3)C3=N/C(=C(/c4ccc(C#N)cc4)c4[nH]c2c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)cc1,ClCCl,704.0
14327,O=[N+]([O-])c1ccc(/C2=C3/N=C(C(c4ccccc4)=C3c3ccccc3)/C(c3ccc([N+](=O)[O-])cc3)=c3\[nH]/c(c(-c4ccccc4)c3-c3ccccc3)=C(/c3ccc([N+](=O)[O-])cc3)C3=N/C(=C(/c4ccc([N+](=O)[O-])cc4)c4[nH]c2c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)cc1,ClCCl,711.0
9225,COc1ccc(/C2=C3/N=C(C(c4ccccc4)=C3c3ccccc3)/C(c3ccc(OC)cc3)=c3\[nH]/c(c(-c4ccccc4)c3-c3ccccc3)=C(/c3ccc(OC)cc3)C3=N/C(=C(/c4ccc(OC)cc4)c4[nH]c2c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)cc1,ClCCl,731.0
11972,FC(F)(F)c1ccc(/C2=C3/N=C(C(c4ccccc4)=C3c3ccccc3)/C(c3ccc(C(F)(F)F)cc3)=c3\[nH]/c(c(-c4ccccc4)c3-c3ccccc3)=C(/c3ccc(C(F)(F)F)cc3)C3=N/C(=C(/c4ccc(C(F)(F)F)cc4)c4[nH]c2c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)cc1,ClCCl,708.0
8177,COC(=O)C1=C(C(=O)OC)C2(c3cc(Cl)ccc3-c3c(Cl)cc(Cl)cc32)C2(/C=C/c3ccccc3)c3cc(OC)c(OC)cc3CCN12,ClCCl,327.0
8178,COC(=O)C1=C(C(=O)OC)C2(c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)C2(/C=C/c3ccccc3)c3cc(OC)c(OC)cc3CCN12,ClCCl,337.0
8179,COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3c(Br)cc(Br)cc32)C2(/C=C/c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3CCN12,ClCCl,328.0
8180,COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3c(Br)cc(Br)cc32)C2(/C=C/c3ccccc3)c3cc(OC)c(OC)cc3CCN12,ClCCl,328.0
8182,COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)C2(/C=C/c3ccccc3)c3cc(OC)c(OC)cc3CCN12,ClCCl,333.0
6547,CCOC(=O)C1=C(C(=O)OCC)C2(c3cc(Cl)ccc3-c3ccc(Cl)cc32)C2(/C=C/c3ccccc3)c3cc(OC)c(OC)cc3CCN12,ClCCl,327.0
6548,CCOC(=O)C1=C(C(=O)OCC)C2(c3ccccc3-c3c(Br)cc(Br)cc32)C2(/C=C/c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3CCN12,ClCCl,329.0
13638,O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)s2)SC1=S,ClCCl,464.0
14910,c1cc2sc3ccsc3c2s1,ClCCl,291.0
10173,C[Si](C)(C)[Si](c1cc2sc3cc([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)sc3c2s1)([Si](C)(C)C)[Si](C)(C)C,ClCCl,334.0
15489,c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccccc34)ccc2c1,ClCCl,377.0
11241,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3cc(SC#N)c4cc(-c5cc(C)c(/C=C(\C#N)C(=O)O)s5)ccc43)cc2)cc1,ClC(Cl)Cl,426.0
11242,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3ccc4cc(-c5cc(C)c(/C=C(\C#N)C(=O)O)s5)ccc43)cc2)cc1,ClC(Cl)Cl,430.0
566,CB1Nc2cccc3c2-n2c1ccc2B(C)N3,ClCCl,309.0
4,B1Nc2cccc3c2-n2c1ccc2BN3,ClCCl,316.0
2739,CCCCC(CC)Cn1c2ccccc2c2c(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1ccccc1n3CC(CC)CCCC,ClCCl,420.0
4429,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc5c6sc(/C=C(\C#N)C(=O)O)cc6n(CCCCCC)c5c3n4CCCCCC)cc2)cc1,ClCCl,562.0
4432,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc5c6sc(C=C(C#N)C(=O)O)cc6n(CCCCCC)c5c3n4CCCCCC)cc2)cc1,ClCCl,562.0
7527,CN(C)c1ccc(C(=Cc2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(C=C(C#N)C(=O)O)cc6)cc5)s4)s3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,434.0
15297,c1ccc(N(c2ccccc2)c2ccc3c(ccc4nc5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5nc43)c2)cc1,C1CCCCC1,471.0
15297,c1ccc(N(c2ccccc2)c2ccc3c(ccc4nc5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5nc43)c2)cc1,C1CCOC1,474.0
15297,c1ccc(N(c2ccccc2)c2ccc3c(ccc4nc5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5nc43)c2)cc1,CN(C)C=O,477.0
15297,c1ccc(N(c2ccccc2)c2ccc3c(ccc4nc5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5nc43)c2)cc1,Cc1ccccc1,473.0
15297,c1ccc(N(c2ccccc2)c2ccc3c(ccc4nc5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5nc43)c2)cc1,ClCCl,476.0
407,C1=C2B(Nc3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1C(c1ccccc1)=C2c1ccccc1,Cc1ccccc1,443.0
407,C1=C2B(Nc3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,443.0
407,C1=C2B(Nc3ccc(N(c4ccccc4)c4ccccc4)cc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1C(c1ccccc1)=C2c1ccccc1,CCCCCC,443.0
13556,O=C(O)CCCCCNC(=O)N(CCCS(=O)(=O)[O-])c1ccc2nc(-c3cc[n+](CCCS(=O)(=O)[O-])cc3)oc2c1,O,347.0
13548,O=C(O)CCCC(=O)Nc1ccc2nc(-c3cc[n+](CCCS(=O)(=O)[O-])cc3)oc2c1,O,375.0
13557,O=C(O)CCCCCNC(=O)Nc1ccc2nc(-c3cc[n+](CCCS(=O)(=O)[O-])cc3)oc2c1,O,397.0
13567,O=C(O)CCCCC[n+]1ccc(-c2nc3ccc(OCCCS(=O)(=O)[O-])cc3o2)cc1,O,382.0
2955,CCCCCCCCC(CCCCCC)COc1ccc(-c2cc3c4c5c2cccc5c2cccc5c(C#Cc6ccc(-c7ccc(C(=O)O)cc7)c7nsnc67)cc(c4c52)n3CC(CCCCCC)CCCCCCCC)cc1,C1CCOC1,512.0
14801,[O-][n+]1c(/C=C/C=C/c2ccccc2)nc(N2CCOCC2)c2c1CCCC2,ClCCl,400.0
2141,CC1=[N+]2C(=C(c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c3ccc(/C=C/c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)n3[B-]2(F)F)C=C1,C1CCOC1,587.0
12863,N#CC(C#N)=Cc1ccc2c(c1)[nH]c1c3ccccc3sc21,ClCCl,445.0
8477,COC1CCC2/C3=C4\CC/C5=C(\C6C(C)CC(C)CC6C)C6=N/C(=C(/C7CCC(C(=O)O)CC7)C7CCC(/C(C8C(C)CC(C)CC8C)=C8/C=C(C3=N8)C3CCCC1C32)N7[Zn]N45)C=C6,ClCCl,679.0
2600,CCCCC(CC)CN1C(=O)c2ccc3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5c6c(ccc(c7c(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc(c2c37)C1=O)c64)C(=O)N(CC(CC)CCCC)C5=O,ClC(Cl)Cl,577.0
3408,CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5c6c(ccc(c7c(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,561.0
15498,c1ccc2cc3c(cc2c1)cc1ccc2c4cc5ccccc5cc4cc4ccc3c1c42,Cc1ccccc1,573.0
9154,COc1ccc(-c2nc3ccccc3nc2-c2ccc(OC)cc2)cc1,ClC(Cl)Cl,368.0
15113,c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,ClC(Cl)Cl,344.0
8540,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCS(=O)(=O)O)C(C)(C)C2CC(S(=O)(=O)O)=CC=C21,O,651.0
8541,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCS(=O)(=O)O)C(C)(C)C2CC(S(=O)(=O)[O-])=CC=C21,O,651.0
8542,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCS(=O)(=O)[O-])C(C)(C)C2CC(S(=O)(=O)[O-])=CC=C21,O,651.0
8544,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCS(=O)(=O)[O-])C(C)(C)C2CC(S(=O)(=O)[O-])=CC=C21,O,651.0
8545,COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCS(=O)(=O)[O-])C(C)(CCCS(=O)(=O)O)C2CC(S(=O)(=O)[O-])=CC=C21,O,654.0
4711,CCCCCCc1cc(-c2cc3c(s2)c2ccccc2n3CC)sc1-c1cc(CCCCCC)c(-c2cc(CCCCCC)c(-c3sc(/C=C(\C#N)C(=O)O)cc3CCCCCC)s2)s1,Cc1ccccc1,490.0
10709,Cc1cc(C)c(B2c3cc(C(C)(C)C)cc4ccc5ccc6cc(C(C)(C)C)cc2c6c5c34)c(C)c1,C1CCCCC1,427.0
12918,N#Cc1c(-c2ccc(Oc3ccccc3)cc2)c(N)n2ccccc12,CN(C)C=O,400.0
2369,CCC1(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2-1,C1CCOC1,398.0
2702,CCCCC(CC)Cn1c2c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,466.0
7739,CN(C)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)sc2c1,C1CCCCC1,385.5
7739,CN(C)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)sc2c1,CC#N,388.0
7739,CN(C)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)sc2c1,CC(C)O,389.0
7739,CN(C)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)sc2c1,CO,389.0
7739,CN(C)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)sc2c1,CS(C)=O,396.0
7739,CN(C)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)sc2c1,ClC(Cl)Cl,383.0
7739,CN(C)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)sc2c1,c1ccccc1,392.0
12726,N#CC(=Cc1ccc(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)o1)C(=O)O,C1CCOC1,522.0
11718,Cc1s[c+](N2CCOCC2)sc1-c1cc(I)cc(I)c1[O-],C1CCOC1,425.0
11718,Cc1s[c+](N2CCOCC2)sc1-c1cc(I)cc(I)c1[O-],CC#N,409.0
11718,Cc1s[c+](N2CCOCC2)sc1-c1cc(I)cc(I)c1[O-],CO,371.0
11718,Cc1s[c+](N2CCOCC2)sc1-c1cc(I)cc(I)c1[O-],ClCCl,413.0
10387,Cc1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c(C)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,398.0
7149,CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,C1CCOC1,414.0
7149,CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,CC(C)=O,417.0
7149,CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,CO,414.0
7149,CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,Cc1ccccc1,412.0
7149,CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,ClC(Cl)Cl,417.0
7149,CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,ClCCl,418.0
2291,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccc6c(c5)C(CC)(CC)c5cc(-c7ccc(-c8ccc(/C=C(\C#N)C(=O)O)s8)s7)ccc5-6)ccc3-4)cc21,C1CCOC1,465.0
15048,c1ccc(-c2nc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)[se]2)cc1,ClC(Cl)Cl,384.0
453,C1=Cc2ccc3ccccc3c2NB1c1ccccc1,C1CCCCC1,360.0
4776,CCCCCCc1cc(-c2ccc3c(c2)C(=C(C#N)C#N)c2cc(-c4cc(CCCCCC)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)s4)ccc2-3)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,369.0
4777,CCCCCCc1cc(-c2ccc3c(c2)C(=C(C#N)C#N)c2cc(-c4cc(CCCCCC)c(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)s4)ccc2-3)sc1C=C(C#N)C(=O)O,ClC(Cl)Cl,303.0
8843,COc1cc2c(cc1/C=C/C1=C/C(=C(\C#N)C(=O)O)c3ccccc3O1)C(C)CC(C)(C)N2C,CCO,448.0
2938,CCCCCCC1CC(C)(CCCCCC)N(C)c2cc(OC)c(/C=C/C3=C/C(=C(\C#N)C(=O)O)c4ccccc4O3)cc21,CCO,455.0
2180,CC1CC(C)(C)N(C)c2ccc(/C=C/C3=C/C(=C(\C#N)C(=O)O)c4ccccc4O3)cc21,CCO,431.0
863,CC(C)(C)OC(=O)NCCCN1Cc2c(-c3ccc(C#N)cc3)c3ccc4occc4n3c2C1=O,ClCCl,381.0
867,CC(C)(C)OC(=O)NCCCN1Cc2c(-c3ccccc3)c3ccc4occc4n3c2C1=O,ClCCl,372.0
5934,CCN(CC)c1ccc(-c2c3c(n4c2ccc2occc24)C(=O)N(CCCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,386.0
1743,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCC3)cc21,C1COCCO1,375.0
1743,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCC3)cc21,CC#N,377.0
1743,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCC3)cc21,CCO,380.0
1743,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCC3)cc21,CS(C)=O,386.0
1743,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCC3)cc21,Cc1ccccc1,378.0
1743,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCC3)cc21,ClC(Cl)Cl,384.0
1743,CC1(C)c2cc(C=O)ccc2-c2ccc(N3CCC3)cc21,O,377.0
8438,COC(=O)c1ccn2c(Nc3ccc(F)cc3)c(/C=C/c3ccc(OC)cc3)nc2c1,CS(C)=O,400.0
4204,CCCCCCOc1cc(C=C2C(=O)c3ccccc3C2=O)c(OCCCCCC)cc1C=C1C(=O)c2ccccc2C1=O,ClCCl,512.0
2648,CCCCC(CC)COc1ccc(-c2cc3c(s2)c2c4nsnc4c4c5sc(C#Cc6ccc(C(=O)O)cc6)cc5n(CC(CC)CCCC)c4c2n3CC(CC)CCCC)cc1,ClCCl,476.0
1234,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7)c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7)cc6)cc5)c5nsnc45)cc3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,422.0
8629,COc1c2ccccc2c(OC)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc4sccc4cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c12,ClCCl,639.0
8627,COc1c2ccccc2c(OC)c2c(C#CC(C)(C)C)c3cc4sccc4cc3c(C#CC(C)(C)C)c12,ClCCl,624.0
11168,Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3c2ccc3N2CCCC2)cc1,ClCCl,473.0
10719,Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCCC2)c(C)c1,ClCCl,479.0
13967,O=C1NC(=O)c2ccc(N3CCOCC3)c3cccc1c23,ClC(Cl)Cl,394.0
5019,CCCCCCn1c(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1/N=N\c1cc(C(=O)O)cc(C(=O)O)c1,C1CCOC1,615.0
5020,CCCCCCn1c(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1/N=N\c1ccc(C(=O)O)cc1,C1CCOC1,625.0
3986,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5ccc6c7c(cccc57)C(=O)N(CCCCCC)C6=O)s4)ccc(c23)C1=O,ClC(Cl)Cl,395.0
6495,CCNc1ccc2nc3cc/c(=[NH+]\CC)cc-3oc2c1,CO,589.0
10336,Cc1c(COC(=O)Cc2c[nH]c3ccccc23)n2c(OCC(=O)Cc3c[nH]c4ccccc34)c(C)c(=O)n2c1=O,CCO,382.0
9951,COc1ccccc1-c1cc(-c2ccc(N)cc2)[o+]c(-c2ccc(N)cc2)c1,CCO,582.0
13319,Nc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N)cc3)[o+]2)cc1,CCO,590.0
14951,c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1,CC#N,403.0
14951,c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1,CCO,417.0
14951,c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1,ClCCCl,420.0
7276,CN(C)[c+]1scc(-c2cc(I)cc(I)c2[O-])s1,CC#N,425.0
7276,CN(C)[c+]1scc(-c2cc(I)cc(I)c2[O-])s1,CO,394.0
7276,CN(C)[c+]1scc(-c2cc(I)cc(I)c2[O-])s1,ClCCl,430.0
7276,CN(C)[c+]1scc(-c2cc(I)cc(I)c2[O-])s1,C1CCOC1,438.0
7317,CN(C)c1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)s2)cc1,ClC(Cl)Cl,362.0
3535,CCCCCCCCOc1ccc(-c2nc3c(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)c4nc(-c5ccc(OCCCCCCCC)cc5)c(-c5ccc(OCCCCCCCC)cc5)nc4c(-c4ccc(/C=C(\C#N)C(=O)O)s4)c3nc2-c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,638.0
3392,CCCCCCCCN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5c4OCCO5)cc3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,C1CCOC1,530.0
13513,O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2oc(-c3cc4ccccc4oc3=O)nc2c1,ClCCl,360.0
6198,CCN(CC)c1ccc2cc(-c3nc4cc(C(=O)Nc5ccc(C)cc5[N+](=O)[O-])ccc4o3)c(=O)oc2c1,ClCCl,445.0
6199,CCN(CC)c1ccc2cc(-c3nc4cc(C(=O)Nc5cccc(C)c5)ccc4o3)c(=O)oc2c1,ClCCl,440.0
6200,CCN(CC)c1ccc2cc(-c3nc4cc(C(=O)Nc5cccc(OC)c5)ccc4o3)c(=O)oc2c1,ClCCl,437.0
6201,CCN(CC)c1ccc2cc(-c3nc4cc(C(=O)Nc5ccccc5)ccc4o3)c(=O)oc2c1,ClCCl,442.0
5300,CCCCCCCCCCCCN1/C(=C\C2=C([O-])C(=Cc3cc(C(C)(C)C)[s+]c(C(C)(C)C)c3)C2=O)C(C)(C)c2cc(C(=O)O)ccc21,ClC(Cl)Cl,745.0
3118,CCCCCCCCCCCCN1/C(=C/C=2C(=O)/C(=C\c3cc(C(C)(C)C)[s+]c(C(C)(C)C)c3)C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,ClC(Cl)Cl,745.0
5293,CCCCN1/C(=C/C2=C([O-])C(=Cc3cc(C(C)(C)C)[s+]c(C(C)(C)C)c3)C2=O)C(C)(C)c2cc(C(=O)O)ccc21,ClC(Cl)Cl,745.0
13497,O=C(N/N=C/c1ccccc1O)c1cccc2ccccc12,C1CCOC1,334.0
13497,O=C(N/N=C/c1ccccc1O)c1cccc2ccccc12,CC#N,332.0
13497,O=C(N/N=C/c1ccccc1O)c1cccc2ccccc12,CC(C)=O,343.0
13497,O=C(N/N=C/c1ccccc1O)c1cccc2ccccc12,CCO,400.0
13497,O=C(N/N=C/c1ccccc1O)c1cccc2ccccc12,CN(C)C=O,395.0
13497,O=C(N/N=C/c1ccccc1O)c1cccc2ccccc12,CS(C)=O,329.0
13497,O=C(N/N=C/c1ccccc1O)c1cccc2ccccc12,ClCCl,328.0
5725,CCCCn1c2ccc(-c3ccc4ccccc4c3)cc2c2ccc3c4cc(-c5ccc6ccccc6c5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,327.0
90,C#Cc1ccc(-c2nc(-c3ccc(C#C)s3)nc(-c3ccc(C#C)s3)n2)s1,ClCCl,348.0
6639,CCOC(=O)c1[nH]c(C)c(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5c(C)[nH]c(C(=O)OCC)c5C)n4[B-]3(F)F)C(C)=C2I)c1C,CS(C)=O,693.0
6639,CCOC(=O)c1[nH]c(C)c(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5c(C)[nH]c(C(=O)OCC)c5C)n4[B-]3(F)F)C(C)=C2I)c1C,ClCCl,678.0
6639,CCOC(=O)c1[nH]c(C)c(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5c(C)[nH]c(C(=O)OCC)c5C)n4[B-]3(F)F)C(C)=C2I)c1C,C1CCOC1,685.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,C1CCOC1,396.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,C1COCCO1,396.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CC#N,398.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CC(C)(C)O,411.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CC(C)=O,394.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CC(C)O,413.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CCCCCO,417.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CCCO,415.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CCO,414.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CCOC(C)=O,395.0
10791,Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,CCOCC,395.0
5814,CCCN1c2ccccc2Sc2cc(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)ccc21,ClCCl,499.0
9175,COc1ccc(-c2oc3cccc4[n+]3c2-c2ccccc2-4)cc1,ClCCl,405.0
11759,Clc1ccc(-c2oc3cccc4[n+]3c2-c2ccccc2-4)cc1,ClCCl,370.0
12199,Fc1ccc(-c2oc3cccc4[n+]3c2-c2ccccc2-4)cc1,ClCCl,372.0
7382,CN(C)c1ccc(-c2oc3cccc4[n+]3c2-c2ccccc2-4)cc1,ClCCl,506.0
9890,COc1cccc(-c2oc3cccc4[n+]3c2-c2ccccc2-4)c1,ClCCl,376.0
15141,c1ccc(-c2oc3cccc4[n+]3c2-c2ccccc2-4)cc1,ClCCl,368.0
4905,CCCCCCc1ccc(-c2cc(CCCCCC)c(-c3ccc(-c4sc(-c5ccc(P(=O)(O)O)s5)cc4CCCCCC)c4nsnc34)s2)s1,ClC(Cl)Cl,504.0
4929,CCCCCCc1ccc(-c2sc(-c3ccc(-c4cc(CCCCCC)c(-c5ccc(P(=O)(O)O)s5)s4)c4nsnc34)cc2CCCCCC)s1,CCO,511.0
4929,CCCCCCc1ccc(-c2sc(-c3ccc(-c4cc(CCCCCC)c(-c5ccc(P(=O)(O)O)s5)s4)c4nsnc34)cc2CCCCCC)s1,ClC(Cl)Cl,504.0
10182,C[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([Si](C)(C)C)s5)s4)c4nsnc34)s2)s1,C1CCOC1,513.0
3488,CCCCCCCCOc1cc(C)cc(OCCCCCCCC)c1-n1c2cc(C#Cc3ccc(C(=O)O)cc3)c3cccc4c5cccc6c(C#Cc7ccc(N(c8ccc(OCCCCCC)cc8)c8ccc(OCCCCCC)cc8)cc7)cc1c(c65)c2c34,ClCCl,501.0
6873,CCOP1(=O)c2cccc3cccc(c23)-c2cccc3cccc1c23,ClCCl,346.0
13796,O=C([O-])COc1cc(NC(=O)c2ccc(-c3c4cc(Cl)c(=O)cc-4oc4cc(O)c(Cl)cc34)c(C(=O)[O-])c2)ccc1N(CC(=O)[O-])CC(=O)[O-],O,506.0
4664,CCCCCCSc1ccc(N(c2ccc(SCCCCCC)cc2)c2ccc(-c3sc(C4=C/C(=C5/C=C(c6sc(C#Cc7ccc(C(=O)O)cc7)c(CCCCCC)c6CCCCCC)OC5=O)C(=O)O4)c(CCCCCC)c3CCCCCC)cc2)cc1,ClC(Cl)Cl,666.0
8005,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,C1COCCO1,344.0
8005,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,CC#N,355.0
8005,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,CCCCO,350.0
8005,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,CCCO,350.0
8005,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,CCO,351.0
8005,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,CCOC(C)=O,342.0
8005,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,CO,354.0
8007,CN1C(C(=O)Nc2ccccn2)=C([O-])c2sccc2S1(=O)=O,CC#N,382.0
8007,CN1C(C(=O)Nc2ccccn2)=C([O-])c2sccc2S1(=O)=O,CCCCO,377.0
8007,CN1C(C(=O)Nc2ccccn2)=C([O-])c2sccc2S1(=O)=O,CCCO,376.0
8007,CN1C(C(=O)Nc2ccccn2)=C([O-])c2sccc2S1(=O)=O,CCO,375.0
8007,CN1C(C(=O)Nc2ccccn2)=C([O-])c2sccc2S1(=O)=O,CO,373.0
13841,O=C(c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1)c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,Cc1ccccc1,337.0
5283,CCCCN(CCCC)c1ccc2nc3c4ccccc4c(=O)c(-c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)c-3oc2c1,ClCCl,551.0
14184,O=P1(c2ccccc2)C(c2ccc(C3=Cc4ccccc4P3(=O)c3ccccc3)cc2)=Cc2ccccc21,C1CCOC1,387.0
5956,CCN(CC)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)c(O)c1,C1CCOC1,362.0
5956,CCN(CC)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)c(O)c1,CC#N,363.0
5956,CCN(CC)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)c(O)c1,CCCCCC,361.0
5956,CCN(CC)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)c(O)c1,CO,359.0
5956,CCN(CC)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)c(O)c1,CS(C)=O,365.0
5956,CCN(CC)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)c(O)c1,Cc1ccccc1,367.0
5956,CCN(CC)c1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3[nH]2)c(O)c1,ClCCl,370.0
1820,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4sc(-c5sc(C=C(C#N)C(=O)O)c6c5OCCO6)c5c4OCCO5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,544.0
4727,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)s3)c3nsnc23)sc1/C=C(/C#N)C(=O)O,ClCCl,557.0
6906,CCOc1ccc(N(c2ccc(OCC)cc2)c2ccc(-c3ccc(-c4ccc5c(c4)sc4cnccc45)s3)cc2)cc1,CS(C)=O,412.0
2559,CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(CC(CC)CCCC)CC(CC)CCCC,C1CCOC1,426.0
7162,CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(/C=C5\SC(=S)N(CC(=O)O)C5=O)s4)ccc3n(CC)c21,C1CCOC1,507.0
7164,CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(C=C5SC(=S)N(CC(=O)O)C5=O)s4)ccc3n(CC)c21,C1CCOC1,507.0
6674,CCOC(=O)c1c(/N=C/c2cccs2)sc(/N=C/c2ccc(-c3cccs3)s2)c1C(=O)OCC,CC#N,470.0
14777,[NH2+]=c1ccc2c(-c3ccc4ccccc4c3)c3c(cc4n3CCCCCC=C4)oc-2c1,O,535.0
9790,COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4oc4cc5n(c34)CCCCCC=C5)ccc2c1,O,535.0
1771,CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc4n(-c4ccccc4)c3cc21,CN(C)C=O,412.0
9472,COc1ccc(C2=[N+]3C(=Nc4c(-c5ccc6ccccc6c5)c(Br)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3ccc4ccccc4c3)=C2Br)cc1,ClCCl,692.0
9473,COc1ccc(C2=[N+]3C(=Nc4c(-c5ccc6ccccc6c5)cc(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3ccc4ccccc4c3)=C2)cc1,ClCCl,704.0
1470,CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)ccc32)c(C(C)C)c1,Cc1ccccc1,429.0
1706,CC1(C)OB(c2ccc3ccc4cccc5ccc2c3c45)OC1(C)C,Cc1ccccc1,378.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,ClC(Cl)Cl,376.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,CC(C)O,376.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,CCCCO,377.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,CCO,375.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,CCOC(C)=O,372.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,CN(C)C=O,379.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,CO,374.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,CS(C)=O,381.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,C1CCCCC1,360.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,C1COCCO1,366.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,CC#N,364.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,CC(C)O,365.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,CCCCO,367.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,CCO,365.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,CCOC(C)=O,365.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,CN(C)C=O,370.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,CO,364.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,CS(C)=O,372.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,Cc1ccccc1,366.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,ClC(Cl)Cl,367.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,ClCCl,366.0
8783,COc1cc(OC)cc(-c2ccc(-c3ccc(C#N)s3)s2)c1,O,337.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,C1CCCCC1,369.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,C1COCCO1,373.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,CC#N,373.0
7899,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)s2)cc1,C1CCOC1,474.0
7901,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)cc1,C1CCOC1,474.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,ClCCl,377.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,O,340.0
9023,COc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)cc1,Cc1ccccc1,376.0
10202,C[Si](C)(c1cccc2cc3ccccc3cc12)[Si](C)(C)c1cccc2cc3ccccc3cc12,C1CCCCC1,385.8221752
13559,O=C(O)CCCCCNC(=O)c1ccc(-c2c3ccc(O)cc3[o+]c3cc(O)ccc23)c(C(=O)O)c1,O,494.0
6292,CCN(CCCS(=O)(=O)O)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N(CC)CCCS(=O)(=O)O)cc3[o+]c2c1,CCO,556.0
10832,Cc1cc2c(-c3cc(Cl)c(Cl)cc3C(=O)N(C)CCCC(=O)O)c3cc(C)c(NCCCS(=O)(=O)O)cc3[o+]c2cc1NCCCS(=O)(=O)[O-],O,549.0
6295,CCN(CCCS(=O)(=O)[O-])c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N(CC)CCCS(=O)(=O)O)cc3[o+]c2c1,CCO,556.0
6296,CCN(CCCS(=O)(=O)[O-])c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N(CC)CCCS(=O)(=O)[O-])cc3[o+]c2c1,CCO,556.0
6052,CCN(CC)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CCO,547.0
6053,CCN(CC)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N(CC)CCCS(=O)(=O)O)cc3[o+]c2c1,CCO,548.0
6054,CCN(CC)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CCO,560.0
7788,CN(CCCC(=O)O)C(=O)c1ccccc1-c1c2ccc(NCCCS(=O)(=O)O)cc2[o+]c2cc(NCCCS(=O)(=O)O)ccc12,O,533.0
7789,CN(CCCC(=O)O)C(=O)c1ccccc1-c1c2ccc(NCCCS(=O)(=O)[O-])cc2[o+]c2cc(NCCCS(=O)(=O)O)ccc12,O,533.0
7790,CN(CCCC(=O)O)C(=O)c1ccccc1-c1c2ccc(NCCCS(=O)(=O)[O-])cc2[o+]c2cc(NCCCS(=O)(=O)[O-])ccc12,O,533.0
13349,Nc1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N)cc3[o+]c2c1,CCO,507.0
13350,Nc1ccc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)NCCCS(=O)(=O)O)c3[o+]c2c1S(=O)(=O)O,O,491.0
13351,Nc1ccc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)NCCCS(=O)(=O)O)c3[o+]c2c1S(=O)(=O)[O-],O,491.0
7636,CN(C)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CCO,544.0
10831,Cc1cc2c(-c3cc(Cl)c(Cl)cc3C(=O)N(C)CCCC(=O)O)c3cc(C)c(NCCCS(=O)(=O)O)cc3[o+]c2cc1NCCCS(=O)(=O)O,O,549.0
10833,Cc1cc2c(-c3cc(Cl)c(Cl)cc3C(=O)N(C)CCCC(=O)O)c3cc(C)c(NCCCS(=O)(=O)[O-])cc3[o+]c2cc1NCCCS(=O)(=O)[O-],O,549.0
13352,Nc1ccc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)NCCCS(=O)(=O)[O-])c3[o+]c2c1S(=O)(=O)[O-],O,491.0
11213,Cc1ccc(N(c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)c2cc(C)c3c(c2)CN2CN3Cc3cc(N(c4ccc(/C=C5\SC(=S)N(CC(=O)O)C5=O)cc4)c4ccc(C)c(C)c4)cc(C)c32)cc1C,CS(C)=O,475.0
4448,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5CCCCCC)cc3)cc2)cc1,ClCCl,484.0
11941,FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C=C3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(c4c56)=C4C=C(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C(=N1)C2C34,C1CCOC1,594.0
11941,FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C=C3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(c4c56)=C4C=C(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C(=N1)C2C34,Cc1ccccc1,611.0
14294,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,C1CCOC1,423.0
14294,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,CN(C)C=O,431.0
14294,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,CS(C)=O,436.0
14294,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,Cc1ccccc1,420.0
14294,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,ClC(Cl)Cl,424.0
14294,O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,ClCCl,425.0
1902,CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n2c4ccccc4nc32)c2ccccc21,Cc1ccccc1,376.0
13745,O=C(O)c1ccc(C2=C(/C=C/c3[se]c4ccccc4[n+]3CCCCS(=O)(=O)[O-])CCC/C2=C\C=C2/[Se]c3ccccc3N2CCCCS(=O)(=O)[O-])cc1,CO,800.0
282,C(=C/c1nc2ccccc2[nH]1)\c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1,ClCCl,382.0
8658,COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1nc2ccccc2[nH]1,ClCCl,400.0
8658,COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1nc2ccccc2[nH]1,CO,391.0
8658,COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1nc2ccccc2[nH]1,C1CCOC1,401.0
8658,COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1nc2ccccc2[nH]1,CC#N,398.0
282,C(=C/c1nc2ccccc2[nH]1)\c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1,C1CCOC1,381.0
282,C(=C/c1nc2ccccc2[nH]1)\c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1,CC#N,376.0
282,C(=C/c1nc2ccccc2[nH]1)\c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1,CO,375.0
3841,CCCCCCCCn1c2ccccc2c2c3c(ccc21)ccc1c3c2cc(/C=C(\C#N)C(=O)O)ccc2n1CCCCCCCC,ClC(Cl)Cl,435.0
11884,Cn1c2ccccc2c2c3c(ccc21)ccc1c3c2cc(/C=C(\C#N)C(=O)O)ccc2n1C,ClC(Cl)Cl,435.0
1442,CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(nc12)C1c2ccccc2C3c2ccccc21)(C(C)C)C(C)C,CCCCCC,349.0
1440,CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4cc5ccccc5cc43)nc12)(C(C)C)C(C)C,CCCCCC,463.0
3522,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCCCC)cc4)cc3)c3ccc(-c4ccc(C#Cc5cc6c(OCCCCCCCC)c7sc(-c8ccc(C(=O)O)cc8)cc7c(OCCCCCCCC)c6s5)c5nsnc45)cc3)cc2)cc1,C1CCOC1,491.0
13758,O=C(O)c1ccc2c(c1)c1cccc3cnc2n31,CO,420.0
7714,CN(C)c1ccc2c(c1)c1cccc3cnc2n31,CO,469.0
11785,Clc1ccc2c(c1)c1cccc3cnc2n31,CO,428.0
1277,CC(C)(C)c1ccc2c(c1)c1cccc3cnc2n31,CO,424.0
13788,O=C(OCCCCCCO)c1ccc2c(c1)c1cccc3cnc2n31,CO,420.0
15433,c1ccc2c(c1)c1cccc3cnc2n31,CO,421.0
14763,[N-]=[N+]=NCc1ccc2c(c1)c1cccc3cnc2n31,CO,423.0
14595,OCc1ccc2c(c1)c1cccc3cnc2n31,CO,423.0
8827,COc1cc2c(c(OC)c1OC)c1cccc3cnc2n31,CO,420.0
12172,Fc1c(F)c(F)c2c(c1F)c1cccc3cnc2n31,CO,450.0
12226,Fc1ccc2c(c1)c1cccc3cnc2n31,CO,430.0
8390,COC(=O)c1ccc2c(c1)c1cccc3cnc2n31,CO,420.0
13176,N#Cc1ccc2c(c1)c1cccc3cnc2n31,CO,450.0
14579,OCCOc1ccc2c(c1)c1cccc3cnc2n31,CO,438.0
9932,COc1cccc2c1c1ncc3cccc2n31,CO,438.0
14790,[NH3+]Cc1ccc2c(c1)c1cccc3cnc2n31,CO,424.0
8427,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(S(=O)(=O)O)o3)nc2c1,CS(C)=O,393.0
8422,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(C)o3)nc2c1,CS(C)=O,398.0
8423,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(Cl)o3)nc2c1,CS(C)=O,392.0
1889,CC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2P3(=O)c2ccccc2)c2ccccc21,Cc1ccccc1,389.0
6876,CCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3cc4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4s3)s2)s1,C1CCOC1,419.0
4690,CCCCCCc1c(/C=C/c2ccc(/C3=C4\C=CC(=N4)/C(c4c(C)cc(C)cc4C)=c4/cc/c5n4[Zn]n4c3ccc4/C(c3c(C)cc(C)cc3C)=C3/C=CC(=N3)/C=5c3c(C)cc(C)cc3C)cc2)sc(/C=C/c2sc(/C=C(\C#N)C(=O)O)c(CCCCCC)c2CCCCCC)c1CCCCCC,ClCCl,553.0
9762,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,CC#N,328.0
9762,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,CS(C)=O,330.0
9762,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,O,372.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,CCCCCCCCO,335.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,CCCCCCO,335.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,CCCCO,335.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,CCO,333.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,CS(C)=O,338.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,Cc1ccccc1,337.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,ClC(Cl)Cl,338.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,C1COCCO1,336.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,CC#N,334.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,CC(=O)N(C)C,337.0
14893,c1cc2ccc3ccc(-c4ccc(-c5nnc(-c6ccc(-c7nnc(-c8ccc(-c9ccc%10ccc%11cccc%12ccc9c%10c%11%12)s8)o7)cc6)o5)s4)c4ccc(c1)c2c34,CCCCCCCCCCO,336.0
351,C(S/C=C/c1ccc(-c2ccc(/C=C/SC=C3CCCC3)cc2)cc1)=C1CCCC1,ClCCl,352.0
3794,CCCCCCCCn1c(=O)/c(=C\c2ccc(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc4c(c3)c3ccccc3n4CCCCC)cc2)s/c1=C(/C#N)C(=O)O,CO,454.0
12892,N#CC1=CC(Br)=CC(C#N)=P1(c1ccccc1)c1ccccc1,ClC(Cl)Cl,482.0
12894,N#CC1=CC(C=O)=CC(C#N)=P1(c1ccccc1)c1ccccc1,ClC(Cl)Cl,434.0
12896,N#CC1=CC=CC(C#N)=P1(c1ccccc1)c1ccccc1,ClC(Cl)Cl,458.0
5354,CCCCN1C(=O)c2cccc3cc(C#CC#Cc4cc5c6c(cccc6c4)C(=O)N(CCCC)C5=O)cc(c23)C1=O,ClCCl,314.0
2906,CCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,427.0
6350,CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21,CCO,559.0
564,CB1C=Cc2ccc3ccccc3c2N1,C1CCCCC1,352.0
3,B1C=Cc2ccc3ccccc3c2N1,C1CCCCC1,351.5
494,C=CB1C=Cc2ccc3ccccc3c2N1,C1CCCCC1,355.0
7267,CN(C)CCN(Cc1c2ccccc2c(CN(CCN(C)C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CN(C)C=O,340.0
7267,CN(C)CCN(Cc1c2ccccc2c(CN(CCN(C)C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CO,341.0
7267,CN(C)CCN(Cc1c2ccccc2c(CN(CCN(C)C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],ClC(Cl)Cl,342.0
7267,CN(C)CCN(Cc1c2ccccc2c(CN(CCN(C)C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C1CCCCC1,340.0
7267,CN(C)CCN(Cc1c2ccccc2c(CN(CCN(C)C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C1CCOC1,351.0
7267,CN(C)CCN(Cc1c2ccccc2c(CN(CCN(C)C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC#N,347.0
7267,CN(C)CCN(Cc1c2ccccc2c(CN(CCN(C)C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)=O,352.0
7267,CN(C)CCN(Cc1c2ccccc2c(CN(CCN(C)C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CCO,341.0
5362,CCCCN1[C@H]2CC[C@@H]([C@H]3CC[C@@H]4[C@H]5CC[C@H]([C@H]6CC[C@@H](/C=C(\C#N)C(=O)O)S6)C[C@@H]5C5(OCCO5)C5(OCCO5)[C@@H]4C3)C[C@H]2S[C@H]2CCCC[C@H]21,ClCCl,460.0
5945,CCN(CC)c1ccc(-c2ccc(-c3nc4ccccc4c(=O)[nH]3)s2)cc1,CC#N,404.0
5945,CCN(CC)c1ccc(-c2ccc(-c3nc4ccccc4c(=O)[nH]3)s2)cc1,Cc1ccccc1,410.0
8854,COc1cc2c(cc1OC)C1=C3C(=O)N4C=Cc5cc(OC)c(OC)cc5C4=C3C(=O)N1C=C2,CN(C)C=O,593.0
8854,COc1cc2c(cc1OC)C1=C3C(=O)N4C=Cc5cc(OC)c(OC)cc5C4=C3C(=O)N1C=C2,ClC(Cl)Cl,593.0
3163,CCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)C1=C3C(=O)N4C=Cc5cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc5C4=C3C(=O)N1C=C2,CN(C)C=O,592.0
3163,CCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)C1=C3C(=O)N4C=Cc5cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc5C4=C3C(=O)N1C=C2,ClC(Cl)Cl,590.0
3275,CCCCCCCCCCCCn1cccc1/C=C/c1ccc(/C=C/c2cccn2CCCCCCCCCCCC)cc1,Cc1ccccc1,398.0
3274,CCCCCCCCCCCCn1cccc1/C=C/c1cc(OCCCC)c(/C=C/c2cccn2CCCCCCCCCCCC)cc1OCCCC,Cc1ccccc1,411.0
2521,CCCC1(CCC)c2ccccc2-c2c1c1c(c3c2C(CCC)(CCC)c2ccc(N(c4ccc(OC)cc4)c4ccc(-c5sc(/C=C(\C#N)C(=O)O)c6c5OCCO6)cc4)cc2-3)C(CCC)(CCC)c2ccc(N(c3ccc(OC)cc3)c3ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)cc3)cc2-1,ClCCl,520.0
10231,C[Si]1(C)c2cc(-c3ccccc3)ccc2C=Cc2ccc(-c3ccccc3)cc21,ClCCl,379.0
9051,COc1ccc(-c2ccc3c(c2)[Si](C)(C)c2cc(-c4ccc(OC)cc4)ccc2C=C3)cc1,ClCCl,385.0
976,CC(C)(C)c1cc2c3cc(C(C)(C)C)c(-c4cc5cc6c7cccc8cccc(c9cc(C(C)(C)C)cc(c5cc4C(C)(C)C)c96)c87)cc3cc3c4cccc5cccc(c(c1)c23)c54,CC1CCCCC1,446.0
13862,O=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,C1CCOC1,341.8312388
13862,O=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,Cc1ccccc1,360.0840336
13862,O=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,ClCCl,341.8312388
8511,COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1,ClCCl,461.0
15056,c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ncccc54)cc(-n4c5ccccc5c5ncccc54)c3)n2)cc1,Cc1ccccc1,345.6953642
4861,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c(c3)c3ccc5c6ccccc6n(CC(CC)CCCC)c5c3n4CC(CC)CCCC)cc2CCCCCC)s1,ClC(Cl)Cl,479.0
2751,CCCCC(CC)Cn1c2ccccc2c2ccc3c4cc(-c5ccc(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)s7)s6)s5)ccc4n(CC(CC)CCCC)c3c21,ClC(Cl)Cl,483.0
7116,CCn1c(-c2ccc(/C=C(\C#N)C(=O)O)s2)nc(-c2ccc3c(c2)C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)c1-c1ccc2c(c1)C(CC)(CC)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2,ClCCl,430.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CCOC(C)=O,474.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CO,473.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CS(C)=O,490.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,Cc1ccccc1,481.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,ClCCl,489.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,C1COCCO1,475.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CC#N,482.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CC(C)=O,479.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CCCCCC,466.0
14112,O=Cc1cc(N2CCCCC2)c2ccc3c(N4CCCCC4)cc(C=O)c4ccc1c2c43,CCO,477.0
15182,c1ccc(/C(=C(\c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccc(-c3ccccc3)cc2)cc1,C1CCOC1,280.0
1641,CC1(C)CC(/C=C/c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)=C/C(=C(/C#N)C(=O)O)C1,ClC(Cl)Cl,508.0
14807,[O-][n+]1c(/C=C/c2cccs2)nc(N2CCOCC2)c2c1CCCC2,ClCCl,400.0
11291,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5nc(-c6ccc(C)s6)c(-c6ccc(C)s6)nc45)cc3C3CCCC32)cc1,ClCCl,410.0
11292,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5nc(-c6ccc(C)s6)c(-c6ccc(C)s6)nc45)cc3[C@H]3CCC[C@H]32)cc1,ClCCl,475.0
11310,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)cc5)c5nc(-c6ccc(C)s6)c(-c6ccc(C)s6)nc45)cc3C3CCCC32)cc1,ClCCl,475.0
8984,COc1ccc(-c2cc(C)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,ClC(Cl)Cl,342.0
8984,COc1ccc(-c2cc(C)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,C1CCOC1,339.0
8984,COc1ccc(-c2cc(C)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1,CN(C)C=O,340.0
12156,F[Si](c1ccccc1)(c1ccccc1)c1cccc2ccccc12,C1CCOC1,286.0
9335,COc1ccc(C#Cc2cc(C#N)c(C#Cc3ccccc3)cc2C#N)cc1,ClC(Cl)Cl,395.0
9336,COc1ccc(C#Cc2cc(C#N)c(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,397.0
7504,CN(C)c1ccc(C#Cc2ccc(C#Cc3cc(C#N)ccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,421.0
128,C(#Cc1ccc(C#Cc2ccccc2)cc1)c1ccccc1,ClC(Cl)Cl,328.0
13137,N#Cc1ccc(C#Cc2ccc(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,340.0
7506,CN(C)c1ccc(C#Cc2ccc(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,414.0
9340,COc1ccc(C#Cc2ccc(C#Cc3cc(C#N)ccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,368.0
10049,CSc1ccc(C#Cc2cc(C#N)c(C#Cc3cc(C#N)ccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,410.0
10050,CSc1ccc(C#Cc2cc(C#N)c(C#Cc3ccccc3)cc2C#N)cc1,ClC(Cl)Cl,410.0
10051,CSc1ccc(C#Cc2cc(C#N)c(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,402.0
10052,CSc1ccc(C#Cc2ccc(C#Cc3cc(C#N)ccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,374.0
10054,CSc1ccc(C#Cc2ccc(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,366.0
7493,CN(C)c1ccc(C#Cc2cc(C#N)c(C#Cc3cc(C#N)ccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,476.0
7494,CN(C)c1ccc(C#Cc2cc(C#N)c(C#Cc3ccccc3)cc2C#N)cc1,ClC(Cl)Cl,449.0
7495,CN(C)c1ccc(C#Cc2cc(C#N)c(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,462.0
9345,COc1ccc(C#Cc2ccc(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,359.0
9334,COc1ccc(C#Cc2cc(C#N)c(C#Cc3cc(C#N)ccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,402.0
11799,Clc1cnc2nn3ccccc3c2c1,C1CCOC1,373.0
12382,N#C/C(=C\c1ccc(-c2cc3sc(-c4ccc(N(c5ccc6c(c5)OCCO6)S5=CC6=C(C=C5)OCCO6)cc4)cc3s2)cc1)C(=O)O,ClCCl,474.0
348,C(C#Cc1ccccc1)#Cc1ccccc1,CCO,326.0
5080,CCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccc(C=C(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)ccc21,ClCCl,412.0
2578,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C5=C6C(C)=CC(C)=[N+]6[B-](F)(F)n6c(C)cc(C)c65)cc4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(C3=C4C(C)=CC(C)=[N+]4[B-](F)(F)n4c(C)cc(C)c43)cc2)s1,Cc1ccccc1,615.0
1603,CC1(C)C(c2ccc(/C=C(\C#N)C(=O)O)cc2)=Nc2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,435.0
2558,CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(C=C(C#N)C(=O)O)o3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(CC(CC)CCCC)CC(CC)CCCC,C1CCOC1,408.0
4551,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)c5nsnc45)cc3CCCCCC)cc2)cc1,ClCCl,545.0
2780,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,C1CCCCC1,418.0
2780,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,C1CCOC1,421.0
2780,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,CC#N,420.0
2780,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,CCOC(C)=O,419.0
2780,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,CN(C)C=O,427.0
2780,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,Cc1ccccc1,424.0
2780,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,ClC(Cl)Cl,421.0
2780,CCCCC1(CCCC)c2cc(C#Cc3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,ClCCl,424.0
3684,CCCCCCCC[N+]1=C(/C=C2/C(=O)C(/C=C3/N(CC)c4cc5ccccc5cc4C3(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CN(C)C=O,662.0
3692,CCCCCCCC[N+]1=C(/C=C2\C(=O)C(/C=C3/N(CC)c4cc5ccccc5cc4C3(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CCO,662.0
5290,CCCCN1/C(=C/C2=C([O-])/C(=C/C3=[N+](CCC(=O)O)c4ccccc4C3(C)C)C2=O)C(C)(C)c2cc3ccccc3cc21,ClCCl,651.0
13951,O=C1Cc2ccc(cc2)CC(=O)Cc2ccc(c3nsnc23)C1,ClC(Cl)Cl,384.0
13951,O=C1Cc2ccc(cc2)CC(=O)Cc2ccc(c3nsnc23)C1,C1CCCCC1,384.0
13951,O=C1Cc2ccc(cc2)CC(=O)Cc2ccc(c3nsnc23)C1,CC#N,382.0
5755,CCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc(C=C(C#N)C(=O)O)s2)ccc1n3CCCC,CO,538.0
15555,c1csc(-c2ccc3c4ccc(-c5cccs5)cc4n(-c4cccs4)c3c2)c1,ClCCl,352.0
1664,CC1(C)CC(=O)c2cc(F)cc(F)c2N1,CC#N,377.0
1664,CC1(C)CC(=O)c2cc(F)cc(F)c2N1,CCO,386.0
1665,CC1(C)CC(=O)c2ccc(F)cc2N1,CCO,368.0
1666,CC1(C)CC(=O)c2ccccc2N1,CCO,383.0
672,CC(=O)c1cc2c(cc1F)NC(C)(C)CC2=O,CC#N,352.0
1323,CC(C)=CC(=O)c1cc2c(cc1F)NC(C)(C)CC2=O,CC#N,356.0
1661,CC1(C)CC(=O)c2c(F)c(F)c(F)c(F)c2N1,CC#N,360.0
1663,CC1(C)CC(=O)c2cc(F)c(F)cc2N1,CC#N,369.0
1663,CC1(C)CC(=O)c2cc(F)c(F)cc2N1,CCO,381.0
6222,CCN(CC)c1ccc2cc(/C=C/c3ccc(N(c4ccc(/C=C(/C#N)C(=O)O)cc4)c4ccc(/C=C/c5cc6ccc(N(CC)CC)cc6oc5=O)cc4)cc3)c(=O)oc2c1,ClCCl,454.0
3166,CCCCCCCCCCCCOc1cc2c3c(ccc4c5c(OC6CCC(C(C)(C)C)CC6)cc6c7c(ccc(c1c34)c75)C(=O)N(C1CCCCC1)C6=O)C(=O)N(C1CCCCC1)C2=O,ClC(Cl)Cl,558.0
5587,CCCCc1cc(-c2cccc(COC)c2)oc1-c1cccc(COC)c1,ClC(Cl)Cl,326.0
4424,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4-c3ccc(OCCCCCC)cc3)c3nsnc23)cc1,ClCCl,567.0
7204,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,CCOC(C)=O,405.0
7204,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,CN(C)C=O,411.0
7204,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,Cc1ccccc1,410.0
7204,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,ClCCl,415.0
7206,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,C1CCOC1,388.0
7206,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,CCOC(C)=O,384.0
7206,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,CN(C)C=O,392.0
7206,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,Cc1ccccc1,389.0
7206,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,ClCCl,390.0
7207,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,C1CCOC1,408.0
7207,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,CCOC(C)=O,405.0
7207,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,CN(C)C=O,415.0
7207,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,Cc1ccccc1,411.0
7207,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(S(C)(=O)=O)n3)ccc21,ClCCl,417.0
7208,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,C1CCOC1,396.0
7208,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,CCOC(C)=O,392.0
7208,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,CN(C)C=O,399.0
7208,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,Cc1ccccc1,396.0
7208,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,ClCCl,396.0
7209,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,C1CCOC1,382.0
7209,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,CCOC(C)=O,379.0
7209,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,CN(C)C=O,386.0
7209,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,Cc1ccccc1,383.0
7209,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,ClCCl,386.0
7204,CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(C#N)n3)ccc21,C1CCOC1,410.0
1275,CC(C)(C)c1ccc2c(c1)c1cc3c4cc(C(C)(C)C)ccc4c4c5c6ccc(C(C)(C)C)cc6c6cc7c8cc(C(C)(C)C)ccc8c8c2c1c(c34)c(c78)c65,CCCCCC,542.1523448
1275,CC(C)(C)c1ccc2c(c1)c1cc3c4cc(C(C)(C)C)ccc4c4c5c6ccc(C(C)(C)C)cc6c6cc7c8cc(C(C)(C)C)ccc8c8c2c1c(c34)c(c78)c65,CCOCC,541.5651232
1275,CC(C)(C)c1ccc2c(c1)c1cc3c4cc(C(C)(C)C)ccc4c4c5c6ccc(C(C)(C)C)cc6c6cc7c8cc(C(C)(C)C)ccc8c8c2c1c(c34)c(c78)c65,Cc1ccccc1,545.8515284
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,CC(=O)O,360.0
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,CC(C)=O,360.0
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,CCOCC,359.0
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,CO,357.0
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,CS(C)=O,380.0
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,CCOC(C)=O,359.0
26,Brc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(Br)cc5)c(-c5ccc(Br)cc5)[nH]4)cc3)[nH]c2-c2ccc(Br)cc2)cc1,CS(C)=O,389.0
10973,Cc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(C)cc5)c(-c5ccc(C)cc5)[nH]4)cc3)[nH]c2-c2ccc(C)cc2)cc1,CS(C)=O,395.0
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,ClC(Cl)Cl,358.0
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,C1CCOC1,361.0
15034,c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1,CC#N,356.5
8447,COC(=O)c1nc(-c2cccc3ccccc23)oc1C,CCOC(C)=O,317.0
8447,COC(=O)c1nc(-c2cccc3ccccc23)oc1C,C1CCCCC1,318.0
8447,COC(=O)c1nc(-c2cccc3ccccc23)oc1C,CC#N,308.0
8447,COC(=O)c1nc(-c2cccc3ccccc23)oc1C,CCO,309.0
11279,Cc1ccc(N2C(c3ccccc3NS(=O)(=O)c3ccc(C)cc3)=NC(c3ccccc3)C2c2ccccc2)cc1,Cc1ccccc1,300.0
3255,CCCCCCCCCCCCc1cc(C#Cc2c3ccccc3c(C#Cc3ccc(N(CCCCCCCC)CCCCCCCC)cc3)c3ccccc23)c(CCCCCCCCCCCC)cc1C#Cc1ccc(C(=O)O)cc1,C1CCOC1,504.0
7502,CN(C)c1ccc(C#Cc2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,ClC(Cl)Cl,369.0
7502,CN(C)c1ccc(C#Cc2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,C1CCCCC1,372.0
7502,CN(C)c1ccc(C#Cc2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,CC#N,357.0
7502,CN(C)c1ccc(C#Cc2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,CO,356.0
11046,Cc1ccc(/C2=c3\cc/c(o3)=C(\c3ccc(C)cc3)c3ccc([nH]3)-c3ccc4n3[B-](F)(F)[N+]3=C(C=CC3=C4c3ccc[nH]3)c3ccc2[nH]3)cc1,ClC(Cl)Cl,717.0
7940,CN1/C(=C\C=C\C2=C3C=CC(c4ccccc4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccccc2)C(C)(C)c2ccccc21,CC#N,671.0
5653,CCCCn1c(-c2ccc(-c3nnc(-c4cccs4)o3)cc2)nc(-c2ccccc2)c1-c1ccccc1,ClCCl,340.0
3062,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/C=C/c3nc4ccccc4s3)c3cccc4c5cccc6c(/C=C/C=C/c7nc8ccccc8s7)cc1c(c65)c2c34,C1CCCCC1,530.0
3062,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/C=C/c3nc4ccccc4s3)c3cccc4c5cccc6c(/C=C/C=C/c7nc8ccccc8s7)cc1c(c65)c2c34,CC#N,528.0
3062,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/C=C/c3nc4ccccc4s3)c3cccc4c5cccc6c(/C=C/C=C/c7nc8ccccc8s7)cc1c(c65)c2c34,Cc1ccccc1,538.0
3062,CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(/C=C/C=C/c3nc4ccccc4s3)c3cccc4c5cccc6c(/C=C/C=C/c7nc8ccccc8s7)cc1c(c65)c2c34,ClCCl,538.0
7038,CC[n+]1nc2cc3c(cc2c2cc(C)ccc21)N(C)CCC3,O,487.0
10248,C[Si]1(c2ccccc2)C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,385.0
7102,CCn1c(-c2cc(-c3nc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)c(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)n3CC)c3c(c2)C(CC)(CC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)nc(-c2ccc3c(c2)C(CC)(CC)c2ccccc2-3)c1-c1ccc2c(c1)C(CC)(CC)c1ccccc1-2,C1CCOC1,425.0
5485,CCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc4N5CC(CC)CCCC)cc3)c3ccc(-c4ccc(OCCCC)cc4OCCCC)cc3)cc2)c(OCCCC)c1,ClCCl,503.0
5401,CCCCN1c2ccccc2Sc2cc(-c3nc4c(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)s5)ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)c4n3CCCC)ccc21,C1CCOC1,444.0
5402,CCCCN1c2ccccc2Sc2cc(-c3nc4c(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)c4n3CCCC)ccc21,C1CCOC1,444.0
1542,CC/[NH+]=c1/cc2oc3cc4c(cc3c(-c3ccccc3C(=O)[O-])c-2cc1C)N(CC)C1CCCCC1N4CC,CCO,570.0
9710,COc1ccc2c(c1)CCc1c(-c3ccccc3)c3n(c1-2)[B-](F)(F)[N+]1=C2C=NC=CN2[B-](F)(F)[N+]1=C3,ClCCl,546.0
7847,CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1,CS(C)=O,439.0
4699,CCCCCCc1c(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)sc(/C=C/c2sc(/C=C(\C#N)C(=O)O)c(CCCCCC)c2CCCCCC)c1CCCCCC,ClCCl,626.0
13740,O=C(O)c1ccc(C#CC2=c3ccc4n3[Zn]35n6c2ccc6C(c2ccc(N(c6ccccc6)c6ccccc6)cc2)=c2ccc(n23)=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(n25)C=4c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,450.0
3430,CCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(-c7ccc(N(c8ccc(-c9ccc(CCCC)cc9)cc8)c8ccc(-c9ccc(CCCC)cc9)cc8)cc7)s6)=C5C(=O)N4CC(CC)CCCC)s3)ccc21,ClCCl,608.0
12436,N#C/C(=C\c1ccc(-c2ccc(-c3ccc4c(c3)N(c3ccccc3)C3C5CCC(C5)C43)s2)s1)C(=O)O,ClCCl,528.0
4794,CCCCCCc1cc(-c2ccc3c(c2)N(c2ccccc2)C2C4CCC(C4)C32)sc1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClCCl,529.0
10858,Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,C1CCCCC1,324.0
10858,Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,C1COCCO1,324.0
10858,Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CC#N,326.0
10858,Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CCO,328.0
10858,Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CCOC(C)=O,325.0
10858,Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CN(C)C=O,326.0
10858,Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CO,328.0
10858,Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,c1ccccc1,324.0
6621,CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,C1CCOC1,676.0
6621,CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,CC#N,667.0
6621,CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,CCCCCC,674.0
6621,CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,CO,668.0
6621,CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,Cc1ccccc1,683.0
6621,CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,ClCCl,676.0
1709,CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClCCl,506.0
1709,CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCCCC1,499.0
1709,CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCOC1,489.0
1709,CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,Cc1ccccc1,504.0
1709,CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClC(Cl)Cl,515.0
4088,CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2ccc(C=C3SC(SC)=C(SC)S3)cc21,CO,432.0
4646,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc3c(c2)N(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2S3)S1,C1CCOC1,467.0
4647,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc3c(c2)N(CCCCCC)c2ccc(/C=C(\C#N)C(=O)O)cc2S3)S1,CO,435.0
7369,CN(C)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1,CC#N,325.0
11755,Clc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1,CC#N,295.0
10183,C[Si](C)(C)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1,ClCCl,301.0
7386,CN(C)c1ccc(-n2c(-c3ccc(C#N)cc3)nc3ccccc32)cc1,CC#N,308.0
7368,CN(C)c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccccc2)cc1,CC#N,332.0
9756,COc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1,CC#N,268.0
13023,N#Cc1c2oc3ccccc3oc2c(C#N)c2oc3ccccc3oc12,ClC(Cl)Cl,430.0
3984,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6ccccc6)nn5-c5ccccc5)s4)ccc(c23)C1=O,ClCCl,388.0
3978,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6ccc(C)cc6)nn5-c5ccccc5)s4)ccc(c23)C1=O,ClCCl,389.0
3980,CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6ccc(Cl)cc6)nn5-c5ccccc5)s4)ccc(c23)C1=O,ClCCl,389.0
5674,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CC#N,478.0
5674,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CCO,478.0
5674,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CN(C)C=O,478.0
5674,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,Cc1ccccc1,478.0
5674,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClC(Cl)Cl,478.0
5674,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,478.0
5675,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CCO,476.0
5675,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CN(C)C=O,476.0
5675,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,Cc1ccccc1,476.0
5675,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClC(Cl)Cl,476.0
5675,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClCCl,476.0
5675,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,476.0
5675,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CC#N,476.0
5674,CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,C1CCOC1,478.0
9727,COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3cc4ccccc4cc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,461.0
3903,CCCCCCCc1ccc(C2=[N+]3C(=C4c5cc(OCC(CC)CC)c(-c6ccc(CCCCCCC)o6)n5[B-](F)(F)[n+]5c4n(c4cc(C(C)(C)C)ccc45)[B-]3(F)F)C=C2OCC(CC)CC)o1,C1CCOC1,816.0
3903,CCCCCCCc1ccc(C2=[N+]3C(=C4c5cc(OCC(CC)CC)c(-c6ccc(CCCCCCC)o6)n5[B-](F)(F)[n+]5c4n(c4cc(C(C)(C)C)ccc45)[B-]3(F)F)C=C2OCC(CC)CC)o1,ClCCl,826.0
6229,CCN(CC)c1ccc2cc(/C=C3\CCCc4c3[o+]c3cc(N(CC)CC)ccc3c4-c3ccccc3C(=O)O)c(=O)oc2c1,ClCCl,678.0
5006,CCCCCCn1c(=O)c2c3[nH]c4cc5sc6c([nH]c5cc4sc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O)c1c(=O)n(CCCCCC)c(=O)c1c1c(=O)n(CCCCCC)c(=O)c61,ClCCl,549.0
5216,CCCCN(CCCC)c1cc(OC)c(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1OC,ClCCl,395.0
13666,O=C(O)[C@@H]1C=CN2C(=C1)C1=C[C@H](C(=O)O)C=CN1[Ru]21(N=C=S)(N=C=S)N2C=C[C@@H](C(=O)O)C=C2C2=C[C@H](C(=O)O)C=CN21,CN(C)C=O,530.7142857142857
13666,O=C(O)[C@@H]1C=CN2C(=C1)C1=C[C@H](C(=O)O)C=CN1[Ru]21(N=C=S)(N=C=S)N2C=C[C@@H](C(=O)O)C=C2C2=C[C@H](C(=O)O)C=CN21,CS(C)=O,515.0
7195,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+](CCCS(=O)(=O)[O-])c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21,C1CCOC1,464.0
7195,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+](CCCS(=O)(=O)[O-])c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21,CC#N,458.0
7195,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+](CCCS(=O)(=O)[O-])c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21,CC(C)=O,462.0
7195,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+](CCCS(=O)(=O)[O-])c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21,Cc1ccccc1,466.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,CO,575.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,CS(C)=O,595.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,Cc1ccccc1,562.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,ClCCl,575.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,O,587.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,CC#N,586.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,CC(C)=O,574.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,CCO,579.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,CCOC(C)=O,565.0
7895,CN(CCO)c1ccc(/C=C/C2=C(C#N)C(C(C#N)C#N)OC2(C)C)cc1,CN(C)C=O,588.0
4959,CCCCCCc1ccc2c(/C=N/c3cc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)c3)c(O)ccc2c1,C1CCOC1,477.0
4959,CCCCCCc1ccc2c(/C=N/c3cc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)c3)c(O)ccc2c1,CC#N,474.0
4959,CCCCCCc1ccc2c(/C=N/c3cc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)c3)c(O)ccc2c1,Cc1ccccc1,480.0
4959,CCCCCCc1ccc2c(/C=N/c3cc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)c3)c(O)ccc2c1,ClCCl,479.0
13755,O=C(O)c1ccc(Nc2ccc(O)c3c2C(=O)c2c(O)ccc(Nc4ccc(N(c5ccccc5)c5ccccc5)cc4)c2C3=O)cc1,CO,667.0
1695,CC1(C)Cc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)C2)O1,C1CCCCC1,451.059991
1695,CC1(C)Cc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)C2)O1,C1COCCO1,453.9264639
1695,CC1(C)Cc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)C2)O1,CC#N,454.9590537
1695,CC1(C)Cc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)C2)O1,CC(C)O,452.079566
1695,CC1(C)Cc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)C2)O1,CCCCCC,450.0450045
1695,CC1(C)Cc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)C2)O1,ClC(Cl)Cl,457.0383912
1695,CC1(C)Cc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)C2)O1,c1ccccc1,454.9590537
1824,CC1(C)c2ccccc2-c2ccc(N(c3ccc(/C=N/N(c4ccccc4)c4ccc(/C=C5\SC(=S)N(CC(=O)O)C5=O)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,499.0
5409,CCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc21,ClCCl,457.0
6452,CCN1c2ccccc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,C1CCOC1,411.0
6452,CCN1c2ccccc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CC#N,409.0
6452,CCN1c2ccccc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CC(C)=O,410.0
6452,CCN1c2ccccc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CN(C)C=O,414.0
6452,CCN1c2ccccc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CS(C)=O,418.0
6452,CCN1c2ccccc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,Cc1ccccc1,412.0
6452,CCN1c2ccccc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,ClCCl,413.0
3976,CCCCCCN1C(=O)c2cccc3c(-c4cc5ccccc5s4)ccc(c23)C1=O,ClC(Cl)Cl,378.0
15073,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1,Cc1ccccc1,367.0
13165,N#Cc1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1,Cc1ccccc1,352.0
10632,Cc1cc(C#N)ccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21,Cc1ccccc1,349.0
13193,N#Cc1cccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1,Cc1ccccc1,284.0
13203,N#Cc1ccccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21,Cc1ccccc1,356.0
2766,CCCCC1(CCCC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N3c4ccccc4Sc4cc(C=C5c6ccccc6-c6ccccc65)ccc43)cc21,ClCCl,427.0
12874,N#CC(C#N)=c1[nH]c(=O)/c(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(/C=c6\sc(=C(C#N)C#N)[nH]c6=O)s5)cc4)cc3)s2)s1,CCO,489.0
4767,CCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1ccc(/C=C(/C#N)C(=O)O)cc1,ClCCl,455.0
3247,CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1ccc(/C=C(/C#N)C(=O)O)cc1,ClCCl,452.0
12272,N#C/C(=C/c1ccc(-c2ccc(-c3ccc(N4c5ccccc5C5C6CCC(C6)C54)cc3)s2)cc1)C(=O)O,ClCCl,467.0
9785,COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4n(C)c4c5c(ccc34)NC(C)(C)C=C5C)ccc2c1,O,505.0
2032,CC1=CC(C)(C)Nc2ccc3c(-c4ccc5ccccc5c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,CC(C)=O,572.488408
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,CCO,555.6800618
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,CO,545.8268934
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,CS(C)=O,566.8083462
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,Cc1ccccc1,607.2642968
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,ClC(Cl)Cl,589.5285935
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,ClCCl,584.7758887
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,O,489.4899536
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,C1CCOC1,586.7465224
5353,CCCCN1C(=O)c2cccc3c([O-])c(/C=C/c4sc5ccccc5[n+]4CC)cc(c23)C1=O,CC#N,564.6058733
5118,CCCCCCn1c2ccccc2c2cc(/C=C/c3cc(=O)oc4cc(C)ccc34)ccc21,CS(C)=O,405.0
5118,CCCCCCn1c2ccccc2c2cc(/C=C/c3cc(=O)oc4cc(C)ccc34)ccc21,ClC(Cl)Cl,393.0
13200,N#Cc1ccccc1C#Cc1cc(C#N)c(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C#N,ClC(Cl)Cl,464.0
13201,N#Cc1ccccc1C#Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)c1,ClC(Cl)Cl,420.0
13153,N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc(C#Cc3cc(C#N)c(C#Cc4cc(C#N)ccc4C#N)cc3C#N)cc2)cc1,ClC(Cl)Cl,426.0
12001,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1,CC(C)=O,373.0
12001,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1,Cc1ccccc1,379.0
4363,CCCCCCOc1ccc(N(c2ccc(C#Cc3ccc(C#Cc4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,420.0
12001,FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1,ClCCl,380.0
9545,COc1ccc(N(c2ccc(C#Cc3cc(C#N)c(C#Cc4cc(C#N)ccc4C#N)cc3C#N)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,498.0
13142,N#Cc1ccc(C#N)c(C#Cc2cc(C#N)c(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C#N)c1,ClC(Cl)Cl,479.0
13143,N#Cc1ccc(C#N)c(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)c2)c1,ClC(Cl)Cl,432.0
13044,N#Cc1cc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)cc1C#Cc1ccccc1,ClC(Cl)Cl,452.0
3156,CCCCCCCCCCCCOc1cc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(OCCCCCCCCCCCC)cc1C#Cc1ccc(C(=O)O)cc1,C1CCOC1,393.0
3157,CCCCCCCCCCCCOc1cc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(OCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C(=O)O)cc1,C1CCOC1,407.0
6077,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1ccc2c(c1)c1ccccc1n2CC)CCC3,ClCCl,646.0
4262,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c(c3)sc3cc(-c5cc6sc(C=C(C#N)C(=O)O)cc6s5)sc34)cc2)c(OCCCCCC)c1,C1CCOC1,467.0
12482,N#C/C(=C\c1ccc(-c2ccc(N3c4ccccc4CCc4ccccc43)cc2)s1)C(=O)O,ClCCl,422.0
12701,N#CC(=Cc1ccc(-c2ccc(N3c4ccccc4CCc4ccccc43)cc2)s1)C(=O)O,ClCCl,422.0
15388,c1ccc2c(c1)-c1ccccc1N1B3c4c(cccc4-c4ccccc41)-c1ccccc1N32,ClCCl,367.0
4737,CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(OCC(CC)CCCC)cc6)cc5)c5ccc(-c6ccc(OCC(CC)CCCC)cc6)cc5)cc4)s3)c3nsnc23)sc1-c1ccc(/C=C(\C#N)C(=O)O)cc1,C1CCOC1,540.0
4738,CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(OCC(CC)CCCCC)cc6)cc5)c5ccc(-c6ccc(OCC(CC)CCCCC)cc6)cc5)cc4)s3)c3nsnc23)sc1-c1ccc(/C=C(\C#N)C(=O)O)cc1,C1CCOC1,524.0
8116,COC(=O)/C(C#N)=c1\s/c(=c2/s/c(=C(/C#N)C(=O)OC)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)sc23)c2sc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc12,Cc1ccccc1,630.0
11017,Cc1ccc(-n2c(-c3ccccc3[NH-])[nH+]c3c4ccccc4c4ccccc4c32)cc1,Cc1ccccc1,363.0
7731,CN(C)c1ccc2cc3c(c([Si](C)(C)C)c2c1)C(=O)CC3,ClCCl,442.0
7732,CN(C)c1ccc2cc3c(cc2c1)C(=O)CC3,ClCCl,425.0
1224,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2cccc(C#Cc3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2)cc1,CCCCC,340.0
1224,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2cccc(C#Cc3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2)cc1,CO,338.0
1224,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2cccc(C#Cc3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2)cc1,CC#N,340.0
1224,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2cccc(C#Cc3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2)cc1,Cc1ccccc1,345.0
1224,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2cccc(C#Cc3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2)cc1,ClC(Cl)Cl,344.0
1224,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2cccc(C#Cc3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c2)cc1,ClCCl,345.0
142,C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,CC#N,331.0
142,C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,CCCCC,334.0
142,C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,CO,330.0
142,C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,Cc1ccccc1,336.0
142,C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,ClC(Cl)Cl,338.0
142,C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,ClCCl,329.0
3135,CCCCCCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc(C#N)cc5)cc5c6c(ccc(c7c(-c8ccc(C#N)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,ClC(Cl)Cl,545.774647887324
3136,CCCCCCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc(C(F)(F)F)cc5)cc5c6c(ccc(c7c(-c8ccc(C(F)(F)F)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,ClC(Cl)Cl,523.6486486486486
3137,CCCCCCCCCCCCN1C(=O)c2ccc3c4c(-c5cccc([N+](=O)[O-])c5)cc5c6c(ccc(c7c(-c8cccc([N+](=O)[O-])c8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,ClC(Cl)Cl,543.3829973707275
11686,Cc1nc2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2c(=O)[nH]1,CN(C)C=O,310.0
11687,Cc1nc2cccc(-c3nc4ccccc4[nH]3)c2c(=O)[nH]1,CN(C)C=O,313.0
11483,Cc1ccc2nc(-c3cccc4nc(C)[nH]c(=O)c34)[nH]c2c1,CN(C)C=O,322.0
15138,c1ccc(-c2nnc3ccccn23)nc1,ClCCl,309.0
14671,Oc1ccc2ccccc2c1/C=N/c1ccccc1/N=C/c1c(O)ccc2ccccc12,CC#N,429.0
3160,CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCC)cc(/C2=C3\C=CC(=N3)/C(C#Cc3ccc(N(C)C)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(-c3ccc(C(=O)O)cc3)c3nsnc23)=C2/C=CC(=N2)/C=4c2c(OCCCCCCCCCCCC)cccc2OCCCCCCCCCCCC)c1,C1CCOC1,689.0
3402,CCCCCCCCN1C(=O)c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3c4c(cc(-c5ccc(C=C(C#N)C(=O)O)s5)c(c24)C1=O)C(=O)N(CCCCCCCC)C3=O,ClC(Cl)Cl,533.0
8222,COC(=O)COc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N5CCCCC5)cc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,567.0
1987,CC1=CC(/C=C/c2ccc(OCCCN=[N+]=[N-])cc2)=[N+]2C1=C(c1ccc(N3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CO,570.0
79,C#CCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N5CCCCC5)cc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,568.0
1364,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4ccc5c(c4)Sc4cc(/C=C/c6nc7cc(C(=O)O)c(C(=O)O)cc7nc6/C=C/c6ccc7c(c6)Sc6cc(/C=C/c8ccc9c(c8)Sc8ccccc8N9c8ccc(OCCC(C)C)cc8)ccc6N7c6ccc(OCCC(C)C)cc6)ccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,C1CCOC1,490.0
4783,CCCCCCc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)sc1/C=C(/C#N)C(=O)O,ClC(Cl)Cl,450.0
4845,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1,C1CCOC1,452.0
9711,COc1ccc2c(c1)CCc1c(-c3ccccc3)c3n(c1-2)[B-](F)(F)[N+]1=c2ccc4ccccc4c2=C(c2ccccc2)C1=N3,ClC(Cl)Cl,715.0
7227,CCn1c2ccccc2c2ccc(-c3ccc(OC)cc3)cc21,C1CCCCC1,310.0
13332,Nc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(N)cc2)C6=O)cc1,CN(C)C=O,537.0
13333,Nc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(O)cc2)C6=O)cc1,CN(C)C=O,525.0
14045,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(Cl)cc1)c64)C(=O)N(c1ccc(Cl)cc1)C5=O,CN(C)C=O,525.0
14046,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,C1CCOC1,519.0
14046,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN(C)C=O,523.0
14046,O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN1CCCC1=O,525.0
1496,CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Cl)c3c4c(Cl)cc5c6c(cc(Cl)c(c7c(Cl)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O,Cc1ccccc1,523.0
10106,C[N+](C)=C1c2cccn2[B-](F)(F)n2cccc21,CCOC(C)=O,399.0
11358,Cc1ccc(N[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Br)cc2)cc1,CCO,454.0
11359,Cc1ccc(N[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1,CCO,444.0
11360,Cc1ccc(N[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)cc1,CCO,433.0
11361,Cc1ccc(N[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2Cl)cc1,CCO,455.0
9668,COc1ccc([C@@H](Nc2ccc(C)cc2)C2=C(O)C(=O)c3ccccc3C2=O)cc1,CCO,456.0
5720,CCCCn1c2ccc(-c3ccc(O)c(O)c3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21,C1CCOC1,364.0
10859,Cc1cc2ccc(-c3ccccc3)c3c(-c4ccccc4)nc1n23,CO,468.0
7082,CCc1ccccc1-c1c2ccccc2c(C#Cc2ccccc2)c2cc3ccccc3cc12,ClCCl,522.0
7080,CCc1cccc(CC)c1-c1c2ccccc2c(C#Cc2ccccc2)c2cc3ccccc3cc12,ClCCl,523.0
112,C(#Cc1c2ccccc2c(-c2ccccc2)c2cc3ccccc3cc12)c1ccccc1,ClCCl,522.0
8951,COc1ccc(-c2c3ccccc3c(C#Cc3ccccc3)c3cc4ccccc4cc23)cc1,ClCCl,523.0
14939,c1ccc(-c2c3ccccc3c(-c3cncnc3)c3ccccc23)cc1,CCO,394.0
14939,c1ccc(-c2c3ccccc3c(-c3cncnc3)c3ccccc23)cc1,ClCCl,397.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,C1CCOC1,292.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,CC#N,289.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,CC(C)=O,293.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,CCCCO,290.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,CCCO,281.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,CCO,283.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,CCOC(C)=O,296.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,CN(C)C=O,313.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,CO,279.0
11503,Cc1ccc2occ(CC(=O)NN)c2c1,ClCCl,284.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,C1CCOC1,295.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,CC#N,278.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,CC(C)=O,298.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,CCCCO,279.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,CCCO,284.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,CCO,288.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,CCOC(C)=O,298.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,CN(C)C=O,310.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,CO,281.0
11426,Cc1ccc2c(CC(=O)NN)coc2c1,ClCCl,291.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,C1CCOC1,290.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,CC#N,290.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,CC(C)=O,298.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,CCCCO,278.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,CCCO,289.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,CCO,291.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,CCOC(C)=O,300.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,CN(C)C=O,288.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,CO,290.0
9689,COc1ccc2c(CC(=O)NN)coc2c1,ClCCl,287.0
1912,CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(S(=O)(=O)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5N6c5ccccc5)cc4)cc3)cc21,Cc1ccccc1,363.3779264
820,CC(C)(C)NC(=O)c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2ccc3c4ccc(F)cc4c4cc(F)ccc4c3c12,ClCCl,331.0
1930,CC1=C(C#Cc2ccccc2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(C#Cc3ccccc3)c(C)n1[B-]2(F)F,C1CCOC1,573.0
1930,CC1=C(C#Cc2ccccc2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(C#Cc3ccccc3)c(C)n1[B-]2(F)F,ClCCl,561.0
1308,CC(C)(C)c1cccc(-[n+]2nc3cc(C(C)(C)C)ccc3c3ccc(Oc4ccccc4)cc32)c1,ClCCl,484.0
5012,CCCCCCn1c(=O)c2c3oc4ccccc4oc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O,ClCCl,395.0
1960,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(O)cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,CO,521.0
1960,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(O)cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,Cc1ccccc1,530.0
1960,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(O)cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,ClCCl,528.0
1962,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,CO,521.0
1962,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,Cc1ccccc1,530.0
1962,CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,ClCCl,527.0
12487,N#C/C(=C\c1ccc(-c2ccc3c(c2)Sc2ccccc2N3C2CCCCC2)s1)C(=O)O,CN(C)C=O,390.0
12706,N#CC(=Cc1ccc(-c2ccc3c(c2)Sc2ccccc2N3C2CCCCC2)s1)C(=O)O,CN(C)C=O,408.0
1562,CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(Cc4ccc(F)cc4)c4ccccc4C3(C)C)CCC2)=[N+](Cc2ccc(F)cc2)c2ccccc21,CO,784.0
1563,CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(Cc4ccc([N+](=O)[O-])cc4)c4ccccc4C3(C)C)CCC2)=[N+](Cc2ccc([N+](=O)[O-])cc2)c2ccccc21,CO,785.0
1564,CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(Cc4ccccc4)c4ccccc4C3(C)C)CCC2)=[N+](Cc2ccccc2)c2ccccc21,CO,784.0
11194,Cc1ccc(CN2/C(=C/C=C3\CCCC(/C=C/C4=[N+](Cc5ccc(C)cc5)c5ccccc5C4(C)C)=C3Cl)C(C)(C)c3ccccc32)cc1,CO,785.0
1561,CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(Cc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)CCC2)=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,CO,786.0
13953,O=C1NC(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(/C=C4/SC(=O)NC4=O)cc3)cc2)S1,C1CCOC1,446.0
13955,O=C1NC(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(/C=C4\SC(=O)NC4=O)cc3)cc2)S1,C1CCOC1,446.0
14201,O=P1(c2ccccc2)c2cccc3c4c5ccccc5c5ccccc5c4c4ccc1n4c23,ClCCl,425.0
12752,N#CC(=Cc1ccc(C#Cc2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1)C(=O)O,ClCCl,433.0
11463,Cc1ccc2c3ccccc3c3nc4ccccc4n3c2c1,CC#N,309.0
11786,Clc1ccc2c(c1)c1ccccc1c1nc3ccccc3n21,CC#N,331.0
1278,CC(C)(C)c1ccc2c(c1)c1ccccc1n1c3ccccc3nc21,CC#N,329.0
11787,Clc1ccc2c(c1)c1ccccc1n1c3ccccc3nc21,CC#N,308.0
15471,c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21,CC#N,329.0
11990,FC(F)(F)c1ccc2c3ccccc3c3nc4ccccc4n3c2c1,CC#N,328.0
6812,CCOC(=O)c1ccc2c(c1)c1ccccc1c1nc3ccccc3n21,CC#N,352.0
12227,Fc1ccc2c(c1)c1ccccc1n1c3ccccc3nc21,CC#N,305.0
9782,COc1ccc2c3ccccc3c3nc4ccccc4n3c2c1,CC#N,359.0
9783,COc1ccc2c3ccccc3n3c4ccccc4nc3c2c1,CC#N,337.0
11994,FC(F)(F)c1cccc2c3ccccc3n3c4ccccc4nc3c12,CC#N,341.0
9753,COc1ccc2c(c1)c1ccccc1n1c3ccccc3nc21,CC#N,308.0
13177,N#Cc1ccc2c(c1)c1ccccc1n1c3ccccc3nc21,CC#N,320.0
9606,COc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1,C1CCOC1,430.0
5804,CCCN1c2ccc(C#CC3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)cc2Sc2cc(C#CC3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)ccc21,ClCCl,542.0
10668,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2C)c(C)c1,Cc1ccccc1,375.0
5578,CCCCc1c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc(-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)s2)c1CCCC,ClC(Cl)Cl,477.0
14802,[O-][n+]1c(/C=C/c2cc3cccc4c5cccc6cccc(c(c2)c34)c65)nc(N2CCOCC2)c2c1CCCC2,ClCCl,470.0
999,CC(C)(C)c1ccc(-c2c(-c3cccc(N(c4ccccc4)c4ccccc4)c3)c(C#N)c(-c3cccc(N(c4ccccc4)c4ccccc4)c3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,297.0
8944,COc1ccc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)cc1,O,520.0
10770,Cc1cc(C)cc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)c1,O,520.0
13370,Nc1ccc2c(-c3cccc(Cl)c3)c3ccc(=[NH2+])cc-3sc2c1,O,525.0
8618,COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)cc1C,O,520.0
5887,CCCc1ccc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)cc1,O,520.0
13372,Nc1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3sc2c1,O,525.0
10903,Cc1ccc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)cc1,O,520.0
1002,CC(C)(C)c1ccc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)cc1,O,520.0
9879,COc1cccc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)c1,O,520.0
13374,Nc1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3sc2c1,O,520.0
10386,Cc1cc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)ccc1F,O,520.0
13360,Nc1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3sc2c1,O,520.0
7301,CN(C)c1ccc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)cc1,O,520.0
6962,CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1c2ccc2ccccc12,O,406.0
2001,CC1=CC(C)(C)N(C)c2cc3c(cc21)C(c1ccc(Br)cc1)=c1cc2c(cc1O3)=[N+](C)C(C)(C)C=C2C,CCO,594.0
14189,O=P1(c2ccccc2)C(c2cccs2)=C(c2cccs2)c2ccccc21,C1CCOC1,368.0
2283,CCC1(C)C(=O)c2cc3[nH]c4c(c5nc(cc6[nH]c(cc1n2)c(/C=C/C(=O)O)c6C)C(C)=C5CCC(=O)OC)CC(=O)c4c3C,CCO,690.0
5082,CCCCCCn1c2ccc(C=C(C#N)c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)cc4)cc3)cc2c2cc(/C=C(\C#N)c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)cc4)cc3)ccc21,CN(C)C=O,419.0
9176,COc1ccc(-c2oc3cccc4c5c(-c6ccc(OC)c(OC)c6)/c(=N/S(=O)(=O)C(F)(F)F)oc6cccc(c2c34)c65)cc1OC,ClC(Cl)Cl,485.0
9177,COc1ccc(-c2oc3cccc4c5c(-c6ccc(OC)c(OC)c6)c(=N)oc6cccc(c2c34)c65)cc1OC,ClC(Cl)Cl,410.0
9178,COc1ccc(-c2oc3cccc4c5c(-c6ccc(OC)cc6)/c(=N/S(=O)(=O)C(F)(F)F)oc6cccc(c2c34)c65)cc1,ClC(Cl)Cl,480.0
9179,COc1ccc(-c2oc3cccc4c5c(-c6ccc(OC)cc6)c(=N)oc6cccc(c2c34)c65)cc1,ClC(Cl)Cl,408.0
11006,Cc1ccc(-c2oc3cccc4c5c(-c6ccc(C)cc6)/c(=N/S(=O)(=O)C(F)(F)F)oc6cccc(c2c34)c65)cc1,ClC(Cl)Cl,470.0
11007,Cc1ccc(-c2oc3cccc4c5c(-c6ccc(C)cc6)c(=N)oc6cccc(c2c34)c65)cc1,ClC(Cl)Cl,400.0
13248,N=c1oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54,ClC(Cl)Cl,397.0
14209,O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,CCCCCC,458.0
14209,O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,CO,456.0
14209,O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,CS(C)=O,463.0
14209,O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,ClC(Cl)Cl,460.0
14209,O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,ClCCl,463.0
3211,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(N(C)C)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1c2ccccc2c(C#Cc2ccc(C(=O)O)cc2)c2ccccc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,697.0
2579,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C5=C6C(C)=CC(C)=[N+]6[B-](F)(F)n6c(C)cc(C)c65)cc4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1cccs1,Cc1ccccc1,580.0
3720,CCCCCCCCc1cc(-c2cc3c(s2)/C(=C2\C(=O)N(CC(CC)CCCC)c4cc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)sc42)C(=O)N3CC(CC)CCCC)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,405.0
11063,Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)s1,CS(C)=O,574.0
10514,Cc1cc(/C=C/c2ccc(C=O)s2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,580.0
10454,Cc1cc(/C=C/c2cc(Br)cs2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,567.0
10462,Cc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)sc1C,CS(C)=O,577.0
10593,Cc1cc(/C=C/c2cccs2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,568.0
10504,Cc1cc(/C=C/c2ccc(Br)s2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,572.0
5586,CCCCc1cc(-c2cccc(COC)c2)oc1-c1cccc(-c2oc(-c3cccc(COC)c3)cc2CCCC)c1,ClC(Cl)Cl,334.0
11184,Cc1ccc(C2C3=C(CCCC3=O)Nc3c2c(=O)oc2ccccc32)cc1,CS(C)=O,366.0
9486,COc1ccc(C2C3=C(CCCC3=O)Nc3c2c(=O)oc2ccccc32)cc1,CS(C)=O,361.0
13940,O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)c1c(c3ccccc3oc1=O)N2,CS(C)=O,373.0
13941,O=C1CCCC2=C1C(c1cccc(Cl)c1)c1c(c3ccccc3oc1=O)N2,CS(C)=O,373.0
13942,O=C1CCCC2=C1C(c1ccccc1)c1c(c3ccccc3oc1=O)N2,CS(C)=O,368.0
14049,O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1c1ccccc1,C1CCOC1,408.0
14049,O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1c1ccccc1,CCCCCC,403.0
14049,O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1c1ccccc1,ClC(Cl)Cl,405.0
14049,O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1c1ccccc1,ClCCl,419.0
8035,CN1c2cc3c(cc2-c2sccc2C1(C)C)C(c1c(F)c(F)c(F)c(F)c1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1ccsc1-2,CO,628.0
8036,CN1c2cc3c(cc2-c2sccc2C1(C)C)C(c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1ccsc1-2,CO,610.0
8037,CN1c2cc3c(cc2-c2sccc2C1(C)C)C(c1ccccc1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1ccsc1-2,CO,596.0
8034,CN1c2cc3c(cc2-c2sccc2C1(C)C)C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1ccsc1-2,CO,631.0
3780,CCCCCCCCn1c(-c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)cc2)nc2c3ccc(OC)cc3c3cc(OC)ccc3c21,ClC(Cl)Cl,532.0
3781,CCCCCCCCn1c(-c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)cc2)nc2c3ccccc3c3ccccc3c21,ClC(Cl)Cl,532.0
1426,CC(C)[Si](C#Cc1c2nc3ccccc3nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4cc5ccccc5cc43)nc12)(C(C)C)C(C)C,CCCCCC,638.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,C1CCCCC1,327.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,C1CCOC1,332.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,C1COCCO1,331.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,CC#N,335.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,CCCCO,339.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,CCCO,339.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,CCO,340.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,CCOC(C)=O,332.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,CCOCC,328.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,CO,341.0
7371,CN(C)c1ccc(-c2nc3cnccc3[nH]2)cc1,O,335.0
476,C1CCN2CCCn3c2c(c2c3=NCCN=2)C1,CC#N,370.0
476,C1CCN2CCCn3c2c(c2c3=NCCN=2)C1,CCCCCC,352.0
13996,O=C1OC(=O)c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)c3cccc1c23,CCCCCC,440.0
13996,O=C1OC(=O)c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)c3cccc1c23,ClCCl,462.0
13996,O=C1OC(=O)c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)c3cccc1c23,c1ccccc1,450.0
13996,O=C1OC(=O)c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)c3cccc1c23,C1CCOC1,450.0
8027,CN1c2cc3c(cc2-c2c(n(C)c4ccccc24)C1(C)c1ccccc1)C(c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(c1ccccc1)c1c-2c2ccccc2n1C,CO,634.0
12758,N#CC(=Cc1ccc(C(C#N)=Cc2ccc(N(c3ccccc3)c3ccccc3)s2)s1)C(=O)O,C1CCOC1,524.0
12758,N#CC(=Cc1ccc(C(C#N)=Cc2ccc(N(c3ccccc3)c3ccccc3)s2)s1)C(=O)O,Cc1ccccc1,550.0
4653,CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)s4)ccc23)S1,CN(C)C=O,440.0
5731,CCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3sc(-c4ccc(OC)cc4)cc3-c3ccc(OC)cc3)ccc21,ClCCl,395.0
1219,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccc3c4ccc(C#Cc5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4n(-c4ccc(C(F)(F)F)cc4)c3c2)cc1,ClCCl,353.0
5226,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3c(F)c(F)c(F)c(F)c3F)c(C#Cc3c(F)c(F)c(F)c(F)c3F)cc2C#Cc2ccc(N(CCCC)CCCC)cc2)cc1,ClCCl,423.0
5227,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3c(F)c(F)c(F)c(F)c3F)c(C#Cc3ccc(N(CCCC)CCCC)cc3)cc2C#Cc2c(F)c(F)c(F)c(F)c2F)cc1,ClCCl,462.0
5228,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C#Cc2ccc(N(CCCC)CCCC)cc2)cc1,ClCCl,410.0
5229,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C#Cc3ccc(N(CCCC)CCCC)cc3)cc2C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,ClCCl,456.0
5230,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(C#N)cc3)c(C#Cc3ccc(C#N)cc3)cc2C#Cc2ccc(N(CCCC)CCCC)cc2)cc1,ClCCl,416.0
5231,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(C#N)cc3)c(C#Cc3ccc(N(CCCC)CCCC)cc3)cc2C#Cc2ccc(C#N)cc2)cc1,ClCCl,454.0
5232,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(C(F)(F)F)cc3)c(C#Cc3ccc(C(F)(F)F)cc3)cc2C#Cc2ccc(N(CCCC)CCCC)cc2)cc1,ClCCl,407.0
5233,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(C(F)(F)F)cc3)c(C#Cc3ccc(N(CCCC)CCCC)cc3)cc2C#Cc2ccc(C(F)(F)F)cc2)cc1,ClCCl,438.0
5234,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(N(CCCC)CCCC)cc3)c(C#Cc3c(F)c(F)c(F)c(F)c3F)cc2C#Cc2c(F)c(F)c(F)c(F)c2F)cc1,ClCCl,438.0
5235,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(N(CCCC)CCCC)cc3)c(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,ClCCl,433.0
5236,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(N(CCCC)CCCC)cc3)c(C#Cc3ccc(C#N)cc3)cc2C#Cc2ccc(C#N)cc2)cc1,ClCCl,435.0
5237,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(N(CCCC)CCCC)cc3)c(C#Cc3ccc(C(F)(F)F)cc3)cc2C#Cc2ccc(C(F)(F)F)cc2)cc1,ClCCl,427.0
5238,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(N(CCCC)CCCC)cc3)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2C#Cc2ccc([N+](=O)[O-])cc2)cc1,ClCCl,426.0
5239,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc([N+](=O)[O-])cc3)c(C#Cc3ccc(N(CCCC)CCCC)cc3)cc2C#Cc2ccc([N+](=O)[O-])cc2)cc1,ClCCl,448.0
5240,CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc([N+](=O)[O-])cc3)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2C#Cc2ccc(N(CCCC)CCCC)cc2)cc1,ClCCl,417.0
12323,N#C/C(=C\C1=C2SC(c3ccccc3)=CC(c3ccccc3)=C2CCC1)C(=O)O,ClCCl,557.0
775,CC(C)(C)C1CC(/C=C(\C#N)C(=O)O)=C2SC(c3ccccc3)=CC(c3ccccc3)=C2C1,ClCCl,554.0
12327,N#C/C(=C\C=C\C1=C2SC(c3ccccc3)=CC(c3ccccc3)=C2CCC1)C(=O)O,ClCCl,596.0
777,CC(C)(C)C1CC(/C=C/C=C(\C#N)C(=O)O)=C2SC(c3ccccc3)=CC(c3ccccc3)=C2C1,ClCCl,597.0
9892,COc1cccc(-n2c(-c3ccc(O)cc3)nc(C)c2C)c1,CO,287.0
9893,COc1cccc(-n2c(-c3ccccc3)nc(C)c2C)c1,C1COCCO1,287.0
9893,COc1cccc(-n2c(-c3ccccc3)nc(C)c2C)c1,CC#N,288.0
9893,COc1cccc(-n2c(-c3ccccc3)nc(C)c2C)c1,CCCCO,290.0
9893,COc1cccc(-n2c(-c3ccccc3)nc(C)c2C)c1,CCO,292.0
9893,COc1cccc(-n2c(-c3ccccc3)nc(C)c2C)c1,CCOC(C)=O,290.0
9893,COc1cccc(-n2c(-c3ccccc3)nc(C)c2C)c1,CO,289.0
9893,COc1cccc(-n2c(-c3ccccc3)nc(C)c2C)c1,ClCCl,282.0
9893,COc1cccc(-n2c(-c3ccccc3)nc(C)c2C)c1,c1ccccc1,284.0
9891,COc1cccc(-n2c(-c3ccc(F)cc3)nc(C)c2C)c1,CCCCCC,284.0
9891,COc1cccc(-n2c(-c3ccc(F)cc3)nc(C)c2C)c1,CCCCO,289.0
9891,COc1cccc(-n2c(-c3ccc(F)cc3)nc(C)c2C)c1,CCO,290.0
9891,COc1cccc(-n2c(-c3ccc(F)cc3)nc(C)c2C)c1,CCOC(C)=O,288.0
9891,COc1cccc(-n2c(-c3ccc(F)cc3)nc(C)c2C)c1,ClCCl,284.0
9892,COc1cccc(-n2c(-c3ccc(O)cc3)nc(C)c2C)c1,CC#N,288.0
9892,COc1cccc(-n2c(-c3ccc(O)cc3)nc(C)c2C)c1,CCO,292.0
6497,CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)n1nc2ccccc2n1,CO,391.0
6499,CCOC(=O)/C(=C/c1ccc(N(CC)CC)cc1)n1nc2ccccc2n1,CO,399.0
12139,F[B-]1(F)n2cccc2C(c2cccnc2)=C2C=CC(N3CCOCC3)=[N+]21,ClCCl,487.0
5479,CCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccncc7)s6)c6nsnc56)s4)cc3)c3ccc(-c4ccc(OCCCC)cc4OCCCC)cc3)cc2)c(OCCCC)c1,C1CCOC1,520.0
11957,FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3-c3ccccc31)[n+]1ccc3ccccc3c1-2,C1CCCCC1,373.0
11957,FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3-c3ccccc31)[n+]1ccc3ccccc3c1-2,Cc1ccccc1,375.0
11957,FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3-c3ccccc31)[n+]1ccc3ccccc3c1-2,ClCCl,373.0
12796,N#CC(=Cc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,639.0
9289,COc1ccc(/C=C/c2ccccc2)cc1,CC#N,317.0
9290,COc1ccc(/C=C/c2ccccc2)cc1OC,CC#N,321.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,C1CCOC1,376.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,C1COCCO1,376.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CC#N,377.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CCCCCC,364.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CCCCCCC,376.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CCCCCO,376.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CCCCO,376.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CCCO,374.0
7613,CN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,Cc1ccccc1,432.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CCO,376.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CCOC(C)=O,373.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CN(C)C=O,382.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CO,374.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,CS(C)=O,385.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,Cc1ccccc1,366.0
11581,Cc1ccccc1/C(C#N)=C/c1ccc(N(C)C)cc1,ClC(Cl)Cl,378.0
7437,CN(C)c1ccc(/C=C/c2ccc(C#N)cc2)cc1,C1CCOC1,385.0
7437,CN(C)c1ccc(/C=C/c2ccc(C#N)cc2)cc1,CC#N,383.0
7437,CN(C)c1ccc(/C=C/c2ccc(C#N)cc2)cc1,CCCC#N,386.0
7437,CN(C)c1ccc(/C=C/c2ccc(C#N)cc2)cc1,CCCCCC,378.0
7437,CN(C)c1ccc(/C=C/c2ccc(C#N)cc2)cc1,CCCCOCCCC,380.0
7437,CN(C)c1ccc(/C=C/c2ccc(C#N)cc2)cc1,CCO,383.0
7437,CN(C)c1ccc(/C=C/c2ccc(C#N)cc2)cc1,CCOCC,380.0
7438,CN(C)c1ccc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1,C1COCCO1,448.0
7441,CN(C)c1ccc(/C=C/c2ccccc2)cc1,CC#N,351.0
7441,CN(C)c1ccc(/C=C/c2ccccc2)cc1,CCCCCC,347.0
9902,COc1cccc(/C=C/c2ccccc2)c1,CC#N,295.0
13324,Nc1ccc(/C=C/c2ccccc2)cc1,CC#N,318.0
13324,Nc1ccc(/C=C/c2ccccc2)cc1,CCCCCC,316.0
12754,N#CC(=Cc1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,617.0
254,C(=C/c1ccccc1)\c1ccccc1,CC#N,307.0
8693,COc1cc(/C=C/c2ccccc2)cc(OC)c1,CC#N,306.0
13280,NNC(=O)c1ccc(/C=C/c2ccc(C(=O)NN)cc2)cc1,CN(C)C=O,333.0
10968,Cc1ccc(-c2cnc3ccc4ccccc4n23)cc1,ClCCl,324.0
11511,Cc1cccc(-c2cnc3ccc4ccccc4n23)c1,ClCCl,325.0
15530,c1cnc2c(c1)c1nc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)[nH]c1c1cccnc12,CS(C)=O,398.0
12560,N#C/C(=C\c1ccc(N(c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)C(=O)O,C1CCOC1,407.0
13701,O=C(O)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C5=C6C=CC(c7ccccc7)=[N+]6[B-](F)(F)n6c5ccc6-c5ccccc5)s4)cc3)c3ccc(-c4ccc(C5=C6C=CC(c7ccccc7)=[N+]6[B-](F)(F)n6c5ccc6-c5ccccc5)s4)cc3)cc2)cc1,ClCCl,565.0
10669,Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(N3c4ccccc4Oc4ccccc43)cc2C)c(C)c1,Cc1ccccc1,399.0
10316,Cc1c(C)c(B(c2c(C)c(C)c(C#N)c(C)c2C)c2c(C)c(C)c(N3c4ccccc4Oc4ccccc43)c(C)c2C)c(C)c(C)c1C#N,c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,420.0
10717,Cc1cc(C)c(C)c(B(c2c(C)c(C)cc(C)c2C)c2c(C)c(C)c(N3c4ccccc4Oc4ccccc43)c(C)c2C)c1C,CC(C)(C)c1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1,373.0
10252,C[n+]1c2c(c(-c3ccccc3)c3c1CCCC3)CCCC2,CCO,340.0259067
2363,CCC1(CC)c2ccc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,544.0
2363,CCC1(CC)c2ccc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,534.0
2363,CCC1(CC)c2ccc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,547.0
2363,CCC1(CC)c2ccc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClC(Cl)Cl,580.0
2363,CCC1(CC)c2ccc(/C=C/C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,565.0
296,C(=C/c1ncc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)o1)\c1cccc(N2CCN(c3ccccc3)CC2)c1,ClCCl,355.0
2374,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,C1CCOC1,364.0
2374,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CC#N,359.0
2374,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CC(C)=O,360.0
2374,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CCCCCC,362.0
2374,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,ClC(Cl)Cl,362.0
15413,c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccncc3nc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1,Cc1ccccc1,437.0
11466,Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1,CC#N,353.0
11466,Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1,CC(C)O,353.0
11466,Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1,CCO,353.0
11466,Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1,CO,352.0
11466,Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1,ClC(Cl)Cl,355.0
11466,Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1,ClCCl,355.0
11559,Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,CC#N,359.0
11559,Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,CC(C)O,360.0
11559,Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,CCO,359.0
11559,Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,CO,361.0
11559,Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,ClC(Cl)Cl,362.0
11559,Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,ClCCl,362.0
9535,COc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\C#N)c4nn[nH]n4)cc3)cc2)c2ccc(OC)cc2)cc1,ClCCl,465.0
13814,O=C([O-])c1ccccc1-c1c2ccc(=[N+]3CCCC3)cc-2oc2cc(N3CCCC3)ccc12,O,553.0
11569,Cc1ccccc1-c1c2ccc(=[N+]3CCCC3)cc-2oc2cc(N3CCCC3)ccc12,CCO,558.0
11569,Cc1ccccc1-c1c2ccc(=[N+]3CCCC3)cc-2oc2cc(N3CCCC3)ccc12,ClCCl,558.0
12403,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)s3)s2)s1)C(=O)O,ClCCl,465.0
3193,CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c3ccccc3c(C#Cc3ccc(N(C)C)cc3)c3ccccc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,690.0
7501,CN(C)c1ccc(C#Cc2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)cc1,CN(C)C=O,426.0
11208,Cc1ccc(N(CC(=O)[O-])CC(=O)[O-])cc1OCCOc1cc(-c2cc3ccc(C(=O)[O-])cc3[nH]2)ccc1N(CC(=O)[O-])CC(=O)[O-],O,349.0
13757,O=C(O)c1ccc2c(c1)C(=O)/C(=C/c1ccc3c(c1)Sc1ccccc1N3CCCCCCCCCCN1c3ccccc3Sc3cc(/C=C4\C(=O)c5ccc(C(=O)O)cc5C4=O)ccc31)C2=O,CN(C)C=O,508.0
6847,CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)c(C)c(C#N)c2c1N,c1ccccc1,417.0
6848,CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,C1COCCO1,420.0
6848,CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,CC#N,412.0
6848,CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,CCO,423.0
6848,CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,CCOC(C)=O,419.0
6848,CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,ClC(Cl)Cl,416.0
6848,CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,c1ccccc1,418.0
1509,CC(C)c1cccc(C(C)C)c1N1C(c2ccccc2)=Cc2ccc3ccccc3[n+]2[B-]1(F)F,ClCCl,447.0
11529,Cc1cccc(C)c1N1C(c2ccccc2)=Cc2ccc3ccccc3[n+]2[B-]1(F)F,ClCCl,447.0
12961,N#Cc1c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(-c2cccs2)cc1N1CCCCC1,CS(C)=O,404.0
7383,CN(C)c1ccc(-c2sc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3c2OCCO3)cc1,C1CCOC1,444.0
5047,CCCCCCn1c2cc(/C=C/c3cccs3)ccc2c2ccc(/C=C/c3cccs3)cc21,ClC(Cl)Cl,408.1632653
5045,CCCCCCn1c2cc(/C=C(\C#N)c3cccs3)ccc2c2ccc(/C=C(\C#N)c3cccs3)cc21,ClC(Cl)Cl,436.6812227
1629,CC1(C)C=C(CS(=O)(=O)O)c2cc3cc(C(=O)NCCCCCC(=O)O)c(=O)oc3cc2N1CCCS(=O)(=O)O,O,442.0
1631,CC1(C)C=C(CS(=O)(=O)[O-])c2cc3cc(C(=O)NCCCCCC(=O)O)c(=O)oc3cc2N1CCCS(=O)(=O)O,O,442.0
1632,CC1(C)C=C(CS(=O)(=O)[O-])c2cc3cc(C(=O)NCCCCCC(=O)O)c(=O)oc3cc2N1CCCS(=O)(=O)[O-],O,442.0
2005,CC1=CC(C)(C)N(CCCS(=O)(=O)O)c2cc3oc(=O)c(C(=O)NCCCCCC(=O)O)cc3cc21,O,444.0
2010,CC1=CC(C)(C)N(CCCS(=O)(=O)[O-])c2cc3oc(=O)c(C(=O)NCCCCCC(=O)O)cc3cc21,O,444.0
155,C(#Cc1ccccc1)C1=Cc2ccc3ccccc3c2NB1c1ccccc1,C1CCCCC1,387.0
448,C1=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2Cc2cc(N(c3ccccc3)c3ccccc3)ccc21,ClCCl,370.0
14267,O=S1(=O)c2ccccc2C2(c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)c2ccccc21,ClCCl,346.0
1201,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)ccc4-3)c3ccccc3S(=O)(=O)c3ccccc32)cc1,ClCCl,353.0
7647,CN(C)c1ccc2c(-c3ccc(CN4CCCCC4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
5254,CCCCN(CCCC)c1ccc2c(-c3ccc(CN4CCCCC4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,540.0
2380,CCC1(CC)c2ccccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,ClC(Cl)Cl,404.0
2380,CCC1(CC)c2ccccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,ClCCl,403.0
2380,CCC1(CC)c2ccccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,C1CCCCC1,401.0
2380,CCC1(CC)c2ccccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,C1CCOC1,402.0
2380,CCC1(CC)c2ccccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,CC#N,399.0
2380,CCC1(CC)c2ccccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,CCOC(C)=O,400.0
2380,CCC1(CC)c2ccccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,CN(C)C=O,404.0
2380,CCC1(CC)c2ccccc2-c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,Cc1ccccc1,405.0
3745,CCCCCCCCc1ccc(-c2ccc(/C=C(\C#N)c3ccc(-c4cccc5cccc(-c6ccc(/C(C#N)=C/c7ccc(-c8ccc(CCCCCCCC)cc8)cc7)cc6)c45)cc3)cc2)cc1,Cc1ccccc1,350.0
1572,CC1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21,CO,770.0
1575,CC1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21,CO,765.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,CS(C)=O,460.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,Cc1ccccc1,442.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,ClC(Cl)Cl,454.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,ClCCl,454.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,C1CCOC1,430.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,CC#N,448.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,CCO,458.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,CN(C)C=O,456.0
8299,COC(=O)c1cc(=O)n(C)c2cc(-c3cc4c5c(c3)CCCN5CCC4)sc12,CO,456.0
2835,CCCCCC1=C2C(C)=C(c3ccc4c(c3)Sc3ccccc3N4CCCCCCN3c4ccccc4Sc4cc(C5=C(C)C6=C(CCCCC)c7c(C)c(-c8ccc(/C=C(\C#N)C(=O)O)s8)c(C)n7[B-](F)(F)[N+]6=C5C)ccc43)C(C)=[N+]2[B-](F)(F)n2c(C)c(/C=C(\C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,535.0
11525,Cc1cccc(C)c1C1=C(c2c(C)cccc2C)N(c2c(C(C)C)cccc2C(C)C)B(c2ccccc2)N1c1c(C(C)C)cccc1C(C)C,C1CCOC1,344.0
10705,Cc1cc(C)c(B2N(c3c(C(C)C)cccc3C(C)C)C(c3ccccc3)=C(c3ccccc3)N2c2c(C(C)C)cccc2C(C)C)c(C)c1,C1CCOC1,411.0
10743,Cc1cc(C)c(N2B(c3ccccc3)N(c3c(C)cc(C)cc3C)C(c3ccccc3)=C2c2ccccc2)c(C)c1,C1CCOC1,388.0
15183,c1ccc(B2N(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)N2c2ccccc2)cc1,C1CCOC1,398.0
1494,CC(C)c1cccc(C(C)C)c1N1B(c2ccccc2)N(c2c(C(C)C)cccc2C(C)C)C(c2ccc(C(F)(F)F)cc2)=C1c1ccc(C(F)(F)F)cc1,C1CCOC1,346.0
1495,CC(C)c1cccc(C(C)C)c1N1B(c2ccccc2)N(c2c(C(C)C)cccc2C(C)C)C(c2ccccc2)=C1c1ccccc1,C1CCOC1,406.0
8430,COC(=O)c1ccn2c(NC3CCCCC3)c(-c3cccn3C)nc2c1,CS(C)=O,392.0
1986,CC1=CC(/C=C/c2ccc(OCCCN=[N+]=[N-])cc2)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CO,568.0
1988,CC1=CC(/C=C/c2ccc(OCCCN=[N+]=[N-])cc2)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F,CO,564.0
11133,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1CCCCC1,569.0
11133,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1CCOC1,568.0
11133,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,C1COCCO1,569.0
11133,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CCOC(C)=O,565.0
11133,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,CO,564.0
11133,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,Cc1ccccc1,572.0
11133,Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(Cl)ccc32)cc1,ClC(Cl)Cl,571.0
6013,CCN(CC)c1ccc(C2=C3C(C)=CC(/C=C/c4ccc(OCC(=O)OC)cc4)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,CO,567.0
6014,CCN(CC)c1ccc(C2=C3C(C)=CC(/C=C/c4ccc(OCCCN=[N+]=[N-])cc4)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,CO,570.0
8221,COC(=O)COc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N(C)C)cc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,566.0
5908,CCN(C)c1ccc(C2=C3C(C)=CC(/C=C/c4ccc(OCC(=O)OC)cc4)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,CO,567.0
5909,CCN(C)c1ccc(C2=C3C(C)=CC(/C=C/c4ccc(OCCCN=[N+]=[N-])cc4)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,CO,568.0
8223,COC(=O)COc1ccc(/C=C/C2=[N+]3C(=C(c4ccccc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,562.0
74,C#CCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N(C)C)cc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,567.0
75,C#CCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N(C)CC)cc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,569.0
78,C#CCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N(CC)CC)cc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,568.0
80,C#CCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccccc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,563.0
15187,c1ccc(B2Nc3cccc4c3-n3c2ccc3B(c2ccccc2)N4)cc1,ClCCl,331.0
10706,Cc1cc(C)c(B2Nc3cccc4c3-n3c2ccc3B(c2c(C)cc(C)cc2C)N4)c(C)c1,ClCCl,318.0
2167,CC1=c2c3c4cccc5cccc(c=3c(C)[n+]2[B-](F)(F)n2c(C)c3cc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6cc3c21)-c1cccc2cccc-7c12)c54,ClCCl,658.0
1367,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4nc5cc(C(=O)O)c(C(=O)O)cc5nc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,C1CCOC1,471.0
1368,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4nc5ccc(C(=O)O)cc5nc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,C1CCOC1,466.0
1368,CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4nc5ccc(C(=O)O)cc5nc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,ClC(Cl)Cl,477.0
9631,COc1ccc(N2c3ccccc3Sc3cc(/C=C/c4nc5ccc(C(=O)O)cc5nc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OC)cc4)ccc32)cc1,ClC(Cl)Cl,477.3333333333333
5753,CCCCn1c2ccc3ccc4ccccc4c3c2c2c3c(ccc4ccccc43)ccc21,ClCCl,337.0
5805,CCCN1c2ccc(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)cc2Sc2cc(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)ccc21,ClCCl,500.0
4280,CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=C/c4cc[n+](CC(=O)O)cc4)ccc2N3CCCCCC)c(OCCCCCC)c1,ClCCl,508.0
11257,Cc1ccc(N(c2ccc(C)cc2)c2ccc(N3c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4Sc4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc43)cc2)cc1,C1CCOC1,480.0
7199,CCn1c2ccccc2c2cc(/C=C/c3cccc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+]3CCCS(=O)(=O)[O-])ccc21,C1CCOC1,460.0
7199,CCn1c2ccccc2c2cc(/C=C/c3cccc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+]3CCCS(=O)(=O)[O-])ccc21,CC#N,454.0
7199,CCn1c2ccccc2c2cc(/C=C/c3cccc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+]3CCCS(=O)(=O)[O-])ccc21,CC(C)=O,458.0
7199,CCn1c2ccccc2c2cc(/C=C/c3cccc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+]3CCCS(=O)(=O)[O-])ccc21,Cc1ccccc1,453.0
12140,F[B-]1(F)n2cccc2C(c2cccs2)=C2C=CC(N3CCOCC3)=[N+]21,ClCCl,496.0
4828,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1,Cc1ccccc1,504.0
4829,CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)Nc1ccc([Si](OC)(OC)OC)cc1,Cc1ccccc1,498.0
15040,c1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1,ClC(Cl)Cl,430.0
3893,CCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,C1CCOC1,428.0
3893,CCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,Cc1ccccc1,428.0
3893,CCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,ClCCl,428.0
3277,CCCCCCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,C1CCOC1,428.0
3277,CCCCCCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,Cc1ccccc1,428.0
3277,CCCCCCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,ClCCl,428.0
3328,CCCCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,C1CCOC1,428.0
3328,CCCCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,Cc1ccccc1,428.0
3328,CCCCCCCCCCn1nnc(-c2ccc(C#Cc3ccc(C#Cc4ccc(-c5nnn(CCCCCCCCCC)n5)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc2)n1,ClCCl,428.0
4266,CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c(c3)sc3cc(C=C(C#N)C(=O)O)sc34)cc2)c(OCCCCCC)c1,C1CCOC1,459.0
12344,N#C/C(=C\c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(-c2sc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClCCl,490.0
13365,Nc1ccc2c(-c3ccc4c(c3)OCO4)c3ccc(=[NH2+])cc-3oc2c1,O,500.0
5261,CCCCN(CCCC)c1ccc2c(-c3ccc4c(c3)OCO4)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
7658,CN(C)c1ccc2c(-c3ccc4c(c3)OCO4)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
14776,[NH2+]=c1ccc2c(-c3ccc4c(c3)OCO4)c3ccc(O)cc3oc-2c1,O,500.0
6286,CCN(CCCN(C)C)c1ccc2c(-c3ccc4c(c3)OCO4)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
2020,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)c4ccc(=[NH2+])cc-4oc3c21,O,535.0
8948,COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cc4sc(C)cc4cc23)cc1,ClCCl,450.0
4615,CCCCCCOc1ccc(N2c3ccccc3Sc3cc(/C=C/[C@@H]4C/C(=C(\C#N)C(=O)O)CC(C)(C)C4)ccc32)cc1,ClCCl,491.0
4614,CCCCCCOc1ccc(N2c3ccccc3Sc3cc(/C=C/C4C/C(=C(\C#N)C(=O)O)CC(C)(C)C4)ccc32)cc1,ClCCl,491.0
12962,N#Cc1c(C#Cc2ccccc2)c(N)n2ccccc12,CN(C)C=O,348.0
4765,CCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)s1,ClCCl,505.0
4841,CCCCCCc1cc(-c2sc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2CCCCCC)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClCCl,534.0
4842,CCCCCCc1cc(-c2sc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2CCCCCC)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClCCl,505.0
15160,c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c4)ccc32)cc1,ClCCl,355.0
3665,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc(N(c3ccc(-c4ccc(CCCCCC)s4)cc3)c3ccc(-c4ccc(CCCCCC)s4)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)s1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClCCl,449.0
12141,F[B-]1(F)n2cccc2C2=[N+]1c1cccc3cccc(c13)N2,CC#N,333.0
12141,F[B-]1(F)n2cccc2C2=[N+]1c1cccc3cccc(c13)N2,CO,335.0
12141,F[B-]1(F)n2cccc2C2=[N+]1c1cccc3cccc(c13)N2,CS(C)=O,338.0
12141,F[B-]1(F)n2cccc2C2=[N+]1c1cccc3cccc(c13)N2,Cc1ccccc1,341.0
1682,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4ccccc4s2)c(=O)oc31,ClC(Cl)Cl,476.0
4659,CCCCCCSC1=C(SCCCCCC)SC(C2c3ccccc3C(C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(C=C5SC(=S)N(CC(=O)O)C5=O)cc4)ccc32)S1,CN(C)C=O,385.0
4049,CCCCCCN1c2ccc(-c3ccc(OC[C@@H](CC)CCCC)cc3)cc2Sc2cc(-c3ccc(-c4cc5[nH]c6cc([C@H](C#N)C(=O)O)sc6c5s4)c4nsnc34)ccc21,ClCCl,543.0
15529,c1cnc(-c2c3ccccc3c(-c3ncccn3)c3ccccc23)nc1,CCO,389.0
15529,c1cnc(-c2c3ccccc3c(-c3ncccn3)c3ccccc23)nc1,ClCCl,389.0
13207,N#Cc1cnc(-c2c3ccccc3c(-c3ncc(C#N)cn3)c3ccccc23)nc1,ClCCl,394.0
13207,N#Cc1cnc(-c2c3ccccc3c(-c3ncc(C#N)cn3)c3ccccc23)nc1,CCO,391.0
7686,CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-],CCO,642.0
7687,CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1ccccc1C(=O)[O-],CCO,612.0
12389,N#C/C(=C\c1ccc(-c2ccc(-c3cc4c5c(c3)CCCN5CCC4)c3nsnc23)s1)C(=O)O,CCO,572.0
8702,COc1cc(/C=C/c2ncc(-c3ccncc3)o2)cc(OC)c1OC,ClCCl,352.0
13134,N#Cc1ccc(/C=c2\o/c(=C\c3ccc(N4CCCCC4)cc3)c3ccccc23)cc1,ClCCl,431.0
14594,OCc1ccc(/C=c2\o/c(=C\c3ccc(N4CCCCC4)cc3)c3ccccc23)cc1,ClCCl,400.0
13172,N#Cc1ccc2/c(=C/c3ccc(N4CCCCC4)cc3)o/c(=C\c3ccccc3)c2c1,ClCCl,438.0
361,C(\c1ccccc1)=c1\o/c(=C\c2ccc(N3CCCCC3)cc2)c2ccccc12,ClCCl,397.0
6611,CCOC(=O)CN1C(=O)C2=C(c3ccc(C#N)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(C#N)cc1,CC#N,473.0
6611,CCOC(=O)CN1C(=O)C2=C(c3ccc(C#N)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(C#N)cc1,CS(C)=O,480.0
6611,CCOC(=O)CN1C(=O)C2=C(c3ccc(C#N)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccc(C#N)cc1,Cc1ccccc1,482.0
6612,CCOC(=O)CN1C(=O)C2=C(c3ccc(C#N)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,CC#N,464.0
6612,CCOC(=O)CN1C(=O)C2=C(c3ccc(C#N)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,CS(C)=O,471.0
6612,CCOC(=O)CN1C(=O)C2=C(c3ccc(C#N)cc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,Cc1ccccc1,472.0
8500,COCCOCCN1C(=O)C2=C(c3ccc(Br)cc3)N(CCOCCOC)C(=O)C2=C1c1ccc(Br)cc1,ClCCl,472.0
8501,COCCOCCN1C(=O)C2=C(c3ccc(I)cc3)N(CCOCCOC)C(=O)C2=C1c1ccc(I)cc1,ClCCl,474.0
8503,COCCOCCOCCN1C(=O)C2=C(c3ccc(OC)cc3)N(CCOCCOCCOC)C(=O)C2=C1c1ccc(OC)cc1,ClCCl,475.0
8503,COCCOCCOCCN1C(=O)C2=C(c3ccc(OC)cc3)N(CCOCCOCCOC)C(=O)C2=C1c1ccc(OC)cc1,O,473.0
6616,CCOC(=O)CN1C(=O)C2=C(c3ccccc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,CC#N,454.0
3185,CCCCCCCCCCCCOc1ccc(C2=C3C(=O)N(CC(OCC)OCC)C(c4ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)=C3C(=O)N2CC(OCC)OCC)cc1OCCCCCCCCCCCC,ClC(Cl)Cl,496.0
5331,CCCCN1C(=O)C2=C(c3ccc(Br)cc3)NC(=O)C2=C1c1ccc(Br)cc1,ClCCl,477.0
6616,CCOC(=O)CN1C(=O)C2=C(c3ccccc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,CS(C)=O,460.0
6616,CCOC(=O)CN1C(=O)C2=C(c3ccccc3)N(CC(=O)OCC)C(=O)C2=C1c1ccccc1,Cc1ccccc1,462.0
6855,CCOC(CN1C(=O)C2=C(c3ccc(OC)c(OC)c3)N(CC(OCC)OCC)C(=O)C2=C1c1ccc(OC)c(OC)c1)OCC,ClC(Cl)Cl,495.0
14028,O=C1c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2C(=O)N1c1ccccc1,Cc1ccccc1,388.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,C1CCCCC1,335.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CC#N,336.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CC(C)=O,336.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CCCCCC,334.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CCO,336.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CCOCC,335.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CS(C)=O,339.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,Cc1ccccc1,339.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,ClC(Cl)(Cl)Cl,338.0
2870,CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,ClC(Cl)Cl,339.0
11895,Cn1cc(-c2nc3ccccc3nc2/C=C/N2CCCC2)c2ccccc21,CC#N,440.0
2386,CCC1(CC)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)ccc3-4)cc21,ClCCl,492.0
12135,F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(c3cccc(OC4=[N+]5C(=C(c6ccccc6)c6cc(Br)c(-c7ccc[nH]7)n6[B-]5(F)F)C=C4Br)c3)=[N+]21,ClC(Cl)Cl,627.0
12527,N#C/C(=C\c1ccc(C#Cc2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)s1)C(=O)O,ClCCl,494.0
9564,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c4ccccc4c(C#Cc4ccc(/C=C(\C#N)C(=O)O)s4)c4ccccc34)cc2)cc1,ClCCl,490.0
9286,COc1ccc(/C=C/c2ccc3ccccc3n2)cc1,ClC(Cl)Cl,346.0
9286,COc1ccc(/C=C/c2ccc3ccccc3n2)cc1,ClCCl,346.0
6143,CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)CCCC1=C2/C=C1/N(CC)c2ccccc2C1(C)C,ClCCl,720.0
6493,CCNc1ccc2c(c1)OC1=C(/C=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)CCCC1=C2/C=C1/N(CC)c2ccccc2C1(C)C,ClCCl,712.0
6460,CCNc1cc2c(cc1C)C(/C=C1/N(CC)c3ccccc3C1(C)C)=C1CCCC(/C=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)=C1O2,ClCCl,710.0
1101,CC(C)(C)c1ccc(C2=c3sc(-c4ccc(C(C)(C)C)cc4)cc3=[N+]3C2=Nc2c(-c4ccc(C(C)(C)C)cc4)c4sc(-c5ccc(C(C)(C)C)cc5)cc4n2[B-]3(F)F)cc1,ClC(Cl)Cl,767.0
9485,COc1ccc(C2=c3sc(-c4ccc(OC)cc4)cc3=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c4sc(-c5ccc(OC)cc5)cc4n2[B-]3(F)F)cc1,ClC(Cl)Cl,788.0
1082,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)ccc(c34)C2=O)c1,Cc1ccccc1,440.0
1082,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)ccc(c34)C2=O)c1,CO,447.0
1082,CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3cccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)ccc(c34)C2=O)c1,CS(C)=O,445.0
7072,CCc1ccc(C2=[N+]3C(=Cc4c5ccc(OC)cc5c(-c5ccc(CC)s5)n4[B-]3(F)F)c3ccc(OC)cc32)s1,ClCCl,727.0
13210,N#Cc1nc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc1C#N,Cc1ccccc1,473.0
10267,C[n+]1ccn(CCCCc2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(C#N)cc2F)c1,CC#N,350.7889546
12715,N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nccnc23)s1)C(=O)O,ClCCl,524.0
390,C1=C(c2ccccc2)B(c2ccccc2)Nc2c1ccc1ccccc21,C1CCCCC1,365.0
15020,c1ccc(-c2cnn(-c3cccc4ccccc34)n2)cc1,CO,260.0
4985,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(C=C(C#N)C(=O)O)s3)s2)sc1-c1ccc2c(c1)C1CCCC1N2c1ccc(C)cc1,ClCCl,464.0
7965,CN1C(=CC2=C([O-])C(=O)C2=C(C#N)C#N)C(C)(C)c2ccccc21,CCO,460.0
3116,CCCCCCCCCCCCN1/C(=C/C=2C(=C(C#N)C#N)C(=O)C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CCO,466.0
5437,CCCCOC(=O)/C(C#N)=C1\C(=O)C([O-])=C1C=C1N(C)c2ccccc2C1(C)C,CCO,462.0
6509,CCOC(=O)/C(=C1\C(=O)C(O)=C1C=C1N(C)c2ccccc2C1(C)C)[N+](=O)[O-],CCO,475.0
1555,CC1(C)/C(=C\C=2C(=C(C#N)C#N)C(=O)C2[O-])N(CCC(=O)O)c2ccc(C(=O)O)cc21,CCO,459.0
12383,N#C/C(=C\c1ccc(-c2cc3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3s2)cc1)C(=O)O,ClCCl,460.0
1886,CC1(C)c2ccccc2N(c2ccc(C(=O)/C=C(\O)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,406.0
4839,CCCCCCc1cc(-c2sc(/C=C(/C#N)C(=O)O)cc2CCCCCC)sc1-c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1,C1CCOC1,469.0
2882,CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc21,C1CCOC1,473.0
5241,CCCCN(CCCC)c1ccc(-c2c([O-])[c+](C=C3N(CCOC(=O)CCC(=O)Oc4ccc5c(=C(C#N)C#N)c6cc(O)ccc6c(=C(C#N)C#N)c5c4)c4ccccc4C3(C)C)[c+]2[O-])cc1,ClC(Cl)Cl,637.0
3792,CCCCCCCCn1c(=O)/c(=C/c2ccc(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc4c(c3)c3ccccc3n4CCCCC)s2)s/c1=C(/C#N)C(=O)O,CO,512.0
5823,CCCNc1ccc([N+](=O)[O-])c2c1=NC1(CCCCC1)N=2,CCO,546.0
435,C1=CN2B(C=Cc3c2ccc2ccccc32)C(N2CCOCC2)=C1,C1CCCCC1,319.0
14514,O=c1ccc(-c2cccc(Cl)c2)nn1-c1nc2ccccc2s1,CS(C)=O,363.0
14515,O=c1ccc(-c2ccccc2)nn1-c1nc2ccccc2s1,CS(C)=O,366.0
9534,COc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\C#N)c4ccncc4)cc3)cc2)c2ccc(OC)cc2)cc1,ClCCl,457.0
13635,O=C(O)CN1C(=O)C(=CC=Cc2ccc(N(c3ccccc3)c3ccc(/C=C/C=C4/SC(=S)N(C(=O)O)C4=O)cc3)cc2)SC1=S,CO,501.0
531,C=CCn1c2ccccc2c2cc(C(=O)OC)nc(-c3nc4ccccc4s3)c21,ClC(Cl)Cl,382.02
8337,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3ccccc3s2)n1,ClC(Cl)Cl,383.43
7211,CCn1c2ccccc2c2cc(C(=O)OC)nc(-c3nc4ccccc4s3)c21,ClC(Cl)Cl,384.12
5337,CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)c(Oc5ccc(C(C)(C)C)cc5)c5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)c(Oc8ccc(C(C)(C)C)cc8)c(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,570.0
4160,CCCCCCOc1c(OCCCCCC)c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)c2nc(C)c(C)nc2c1-c1ccc(/C=C(\C#N)C(=O)O)o1,ClCCl,438.0
4160,CCCCCCOc1c(OCCCCCC)c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)c2nc(C)c(C)nc2c1-c1ccc(/C=C(\C#N)C(=O)O)o1,ClC(Cl)Cl,438.0
9527,COc1ccc(N(c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc2)c2ccc(OC)c(OC)c2)cc1OC,ClCCl,504.0
9528,COc1ccc(N(c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc2)c2ccc(OC)cc2OC)c(OC)c1,ClCCl,504.0
12849,N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)o1,ClC(Cl)Cl,509.0
4524,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc2)cc1,C1CCOC1,469.0
4524,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc2)cc1,ClC(Cl)Cl,506.0
12477,N#C/C(=C\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)o1)C(=O)O,C1CCOC1,456.0
12697,N#CC(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)o1)C(=O)O,ClCCl,486.0
9584,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)o3)cc2)cc1,ClCCl,504.0
9586,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)o3)cc2)cc1,ClC(Cl)Cl,524.0
11235,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)o3)cc2)cc1,ClC(Cl)Cl,521.0
10729,Cc1cc(C)c(C2=C3C=CC(c4ccc5c(ccc6ccccc65)c4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccc3c(ccc4ccccc43)c2)c(C)c1,ClC(Cl)Cl,579.0
12755,N#CC(=Cc1ccc(C(C#N)=Cc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)s2)s1)C(=O)O,Cc1ccccc1,440.0
12755,N#CC(=Cc1ccc(C(C#N)=Cc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)s2)s1)C(=O)O,C1CCOC1,463.0
11720,Cc1sc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C1=C(c2cc(/C=C(\C#N)C(=O)O)sc2C)CCC1,ClCCl,380.0
11721,Cc1sc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C1=C(c2cc(C(=O)O)sc2C)CCC1,ClCCl,380.0
2734,CCCCC(CC)Cn1c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(CC)CCCC)cc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)o3)ccc21,ClCCl,455.0
12724,N#CC(=Cc1ccc(-c2ncc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nsnc23)cc1)C(=O)O,C1CCOC1,526.0
8468,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4ccc(-c5cccs5)cc4nc2C3(Cl)C1(OC)OC,CC#N,366.0
8468,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4ccc(-c5cccs5)cc4nc2C3(Cl)C1(OC)OC,CCCCCC,358.0
8468,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4ccc(-c5cccs5)cc4nc2C3(Cl)C1(OC)OC,CCOC(C)=O,362.0
8468,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4ccc(-c5cccs5)cc4nc2C3(Cl)C1(OC)OC,CO,369.0
8468,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4ccc(-c5cccs5)cc4nc2C3(Cl)C1(OC)OC,Cc1ccccc1,364.0
8468,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4ccc(-c5cccs5)cc4nc2C3(Cl)C1(OC)OC,ClC(Cl)Cl,368.0
8468,COC1(OC)C2(Cl)c3nc4ccc(-c5cccs5)cc4nc3C1(Cl)C1C[C@@H]3[C@H](CC12)C1(Cl)c2nc4ccc(-c5cccs5)cc4nc2C3(Cl)C1(OC)OC,ClCCl,369.0
12991,N#Cc1c(N2CCCC2)cc(-c2ccccc2)c2c1Cc1ccccc1-2,C1CCOC1,382.0
14296,O=[N+]([O-])c1ccc(-c2ccc(/C=C/N(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,413.0
1984,CC1=CC(/C=C/c2ccc(N3c4ccccc4C=Cc4ccccc43)cc2)=[N+]2C1=C(c1ccc(C(=O)O)cc1)c1c(C)cc(/C=C/c3ccc(N4c5ccccc5C=Cc5ccccc54)cc3)n1[B-]2(F)F,ClCCl,695.0
13830,O=C(c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,340.0
5766,CCCCn1c2ccccc2c2cc(C=C3C(=O)NC(=O)NC3=O)ccc21,C1CCOC1,427.0
5125,CCCCCCn1c2ccccc2c2cc(C=C3C(=O)NC(=O)NC3=O)ccc21,C1CCOC1,427.0
1593,CC1(C)C(/C=C2\C(=O)C(/C=C3/N(Cc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)=C2[O-])=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,CC#N,634.0
1593,CC1(C)C(/C=C2\C(=O)C(/C=C3/N(Cc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)=C2[O-])=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,CCO,636.0
1593,CC1(C)C(/C=C2\C(=O)C(/C=C3/N(Cc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)=C2[O-])=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,CO,632.0
1593,CC1(C)C(/C=C2\C(=O)C(/C=C3/N(Cc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)=C2[O-])=[N+](Cc2ccc(C(=O)O)cc2)c2ccccc21,ClC(Cl)Cl,637.0
15202,c1ccc(C2(c3ccccc3)c3ccc4ccc5ccccc5c4c3-c3c2ccc2ccc4ccccc4c32)cc1,ClCCl,408.0
3989,CCCCCCN1C(=O)c2cccc3c(-c4ccc(C)s4)ccc(c23)C1=O,ClC(Cl)Cl,385.0
3994,CCCCCCN1C(=O)c2cccc3c(-c4ccc(Cl)s4)ccc(c23)C1=O,ClC(Cl)Cl,374.0
3996,CCCCCCN1C(=O)c2cccc3c(-c4ccc(OC)s4)ccc(c23)C1=O,ClC(Cl)Cl,407.0
3997,CCCCCCN1C(=O)c2cccc3c(-c4ccc([N+](=O)[O-])s4)ccc(c23)C1=O,ClC(Cl)Cl,363.0
3999,CCCCCCN1C(=O)c2cccc3c(-c4cccs4)ccc(c23)C1=O,ClC(Cl)Cl,371.0
10794,Cc1cc(C2=C(c3cc(C)sc3C)S(=O)(=O)c3ccccc32)c(C)s1,C1CCOC1,349.0
14252,O=S1(=O)C(c2ccsc2)=C(c2ccsc2)c2ccccc21,C1CCOC1,350.0
5827,CCCNc1ccc([N+](=O)[O-])c2nsnc12,CCO,476.0
14792,[NH3+]c1cc([NH3+])cc(-c2nc3ccccc3s2)c1,O,315.0
7740,CN(C)c1ccc2nc(-c3ccc(C(=O)O)cc3)sc2c1,C1CCCCC1,387.0
7740,CN(C)c1ccc2nc(-c3ccc(C(=O)O)cc3)sc2c1,CC#N,390.0
7740,CN(C)c1ccc2nc(-c3ccc(C(=O)O)cc3)sc2c1,CC(C)O,374.0
7740,CN(C)c1ccc2nc(-c3ccc(C(=O)O)cc3)sc2c1,CO,377.0
7740,CN(C)c1ccc2nc(-c3ccc(C(=O)O)cc3)sc2c1,CS(C)=O,400.0
7740,CN(C)c1ccc2nc(-c3ccc(C(=O)O)cc3)sc2c1,ClC(Cl)Cl,400.0
7740,CN(C)c1ccc2nc(-c3ccc(C(=O)O)cc3)sc2c1,c1ccccc1,394.0
7741,CN(C)c1ccc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2c1,C1CCCCC1,384.0
7741,CN(C)c1ccc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2c1,CC#N,390.0
7741,CN(C)c1ccc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2c1,CC(C)O,392.0
7741,CN(C)c1ccc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2c1,CO,393.0
7741,CN(C)c1ccc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2c1,CS(C)=O,403.0
7741,CN(C)c1ccc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2c1,ClC(Cl)Cl,392.0
7741,CN(C)c1ccc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2c1,c1ccccc1,392.0
13308,Nc1cc(N)cc(-c2nc3ccccc3s2)c1,CC#N,360.0
13308,Nc1cc(N)cc(-c2nc3ccccc3s2)c1,CC(C)O,360.0
13308,Nc1cc(N)cc(-c2nc3ccccc3s2)c1,CCOC(C)=O,360.0
13308,Nc1cc(N)cc(-c2nc3ccccc3s2)c1,CCOCC,360.0
13308,Nc1cc(N)cc(-c2nc3ccccc3s2)c1,CO,360.0
13308,Nc1cc(N)cc(-c2nc3ccccc3s2)c1,O,360.0
13308,Nc1cc(N)cc(-c2nc3ccccc3s2)c1,C1CCCCC1,360.0
13308,Nc1cc(N)cc(-c2nc3ccccc3s2)c1,C1COCCO1,360.0
7747,CN(C)c1ccc2nc(-c3ccccc3)sc2c1,C1CCCCC1,357.0
7747,CN(C)c1ccc2nc(-c3ccccc3)sc2c1,CC#N,362.0
7747,CN(C)c1ccc2nc(-c3ccccc3)sc2c1,CC(C)O,361.0
7747,CN(C)c1ccc2nc(-c3ccccc3)sc2c1,CO,363.0
7747,CN(C)c1ccc2nc(-c3ccccc3)sc2c1,CS(C)=O,369.0
7747,CN(C)c1ccc2nc(-c3ccccc3)sc2c1,ClC(Cl)Cl,362.0
7747,CN(C)c1ccc2nc(-c3ccccc3)sc2c1,c1ccccc1,364.0
13309,Nc1cc([NH3+])cc(-c2nc3ccccc3s2)c1,O,300.0
14697,Oc1ccccc1-c1nc2ccccc2s1,CCO,333.0
14697,Oc1ccccc1-c1nc2ccccc2s1,ClCCl,333.0
14697,Oc1ccccc1-c1nc2ccccc2s1,O,328.0
7257,CN(C)C(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,C1CCCCC1,368.0
7257,CN(C)C(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,CC#N,373.0
7257,CN(C)C(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,CC(C)O,377.0
7257,CN(C)C(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,CO,377.0
7257,CN(C)C(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,CS(C)=O,383.0
7257,CN(C)C(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,ClC(Cl)Cl,377.0
7257,CN(C)C(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,c1ccccc1,376.0
14764,[NH-]c1cc(N)cc(-c2nc3ccccc3s2)c1,O,343.0
8351,COC(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,C1CCCCC1,387.0
8351,COC(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,CC#N,392.0
8351,COC(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,CC(C)O,393.0
8351,COC(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,CO,396.0
8351,COC(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,CS(C)=O,405.0
8351,COC(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,ClC(Cl)Cl,395.0
8351,COC(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1,c1ccccc1,394.0
4733,CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(/C4=C5\C=CC(=N5)/C(c5ccc(C)cc5)=c5/cc/c6n5[Zn]n5c(ccc54)/C(c4ccc(C)cc4)=C4/C=CC(=N4)/C=6c4ccc(C)cc4)s3)c3nsnc23)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,552.0
11043,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2sc(-c3ccc(-c5cc(C)c(/C=C(\C#N)C(=O)O)s5)c5nsnc35)cc2C)=C2/C=CC(=N2)/C=4c2ccc(C)cc2)cc1,ClC(Cl)Cl,571.0
2391,CCC1(CC)c2ccccc2-n2c3ccc(-c4ccc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)s5)s4)cc3c3cccc1c32,C1CCOC1,474.0
2301,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(-c6ccc(-c7ccc8c(c7)C(CC)(CC)c7cc(N(c9ccccc9)c9cccc%10ccccc9%10)ccc7-8)s6)ccc4-5)s3)cc21,C1CCOC1,423.0
13364,Nc1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3sc2c1,O,515.0
7018,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21,O,480.0
7019,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(NC(N)=O)cc21,O,458.0
7020,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(NC(N)=[NH2+])cc21,O,444.0
7021,CC[n+]1c(-c2ccccc2)c2cc(NC(=O)NCC[NH3+])ccc2c2ccc(NC(=O)NCC[NH3+])cc21,O,438.0
7023,CC[n+]1c(-c2ccccc2)c2cc(NC(N)=O)ccc2c2ccc(N)cc21,O,463.0
7024,CC[n+]1c(-c2ccccc2)c2cc(NC(N)=O)ccc2c2ccc(NC(N)=O)cc21,O,434.0
7025,CC[n+]1c(-c2ccccc2)c2cc(NC(N)=[NH2+])ccc2c2ccc(N)cc21,O,454.0
7026,CC[n+]1c(-c2ccccc2)c2cc(NC(N)=[NH2+])ccc2c2ccc(NC(N)=[NH2+])cc21,O,397.0
13869,O=C1/C(=C2\Nc3cc4ccc5cccc6ccc(c3C2=O)c4c56)Nc2cc3ccc4cccc5ccc(c21)c3c45,C1CCOC1,687.0
14674,Oc1ccc2ncccc2c1,Cc1ccccc1,332.0
9858,COc1ccc2ncccc2c1,CC#N,329.0
9858,COc1ccc2ncccc2c1,CCCC#N,329.0
9858,COc1ccc2ncccc2c1,Cc1ccccc1,331.0
13428,Nc1cccc2ncccc12,CC#N,340.0
13428,Nc1cccc2ncccc12,O,333.0
14674,Oc1ccc2ncccc2c1,ClCCl,330.0
14674,Oc1ccc2ncccc2c1,CO,331.0
14674,Oc1ccc2ncccc2c1,CCCC#N,333.0
6733,CCOC(=O)c1cc(C(=O)O)nc2cc(OC)ccc12,CCO,349.0
6737,CCOC(=O)c1cc(C(=O)OCC)c2c(C)ccc(O)c2n1,CCO,369.0
6259,CCN(CC)c1ccc2nc(/C=C(\C#N)C(=O)O)ccc2c1,ClC(Cl)Cl,459.0
6738,CCOC(=O)c1cc(C(=O)OCC)c2c(C)ccc(OC(=O)OC(C)(C)C)c2n1,CCO,312.0
6739,CCOC(=O)c1cc(C(=O)OCC)c2cc(C(=O)O)ccc2n1,CCO,316.0
6740,CCOC(=O)c1cc(C(=O)OCC)c2cc(C)ccc2n1,CCO,330.0
6741,CCOC(=O)c1cc(C(=O)OCC)c2cc(N(C)C)ccc2n1,CCO,443.0
6742,CCOC(=O)c1cc(C(=O)OCC)c2cc(N(CC)CC)ccc2n1,CCO,453.0
6743,CCOC(=O)c1cc(C(=O)OCC)c2cc(N)ccc2n1,CCO,421.0
6744,CCOC(=O)c1cc(C(=O)OCC)c2cc(NC(=O)C(F)(F)F)ccc2n1,CCO,346.0
6745,CCOC(=O)c1cc(C(=O)OCC)c2cc(NC)ccc2n1,CCO,429.0
6746,CCOC(=O)c1cc(C(=O)OCC)c2cc(O)ccc2n1,CCO,364.0
6748,CCOC(=O)c1cc(C(=O)OCC)c2cc([N+](=O)[O-])ccc2n1,CCO,304.0
6747,CCOC(=O)c1cc(C(=O)OCC)c2cc(OC)ccc2n1,CCO,355.0
6749,CCOC(=O)c1cc(C(=O)OCC)c2ccc(C)cc2n1,CCO,321.0
6750,CCOC(=O)c1cc(C(=O)OCC)c2ccc(N(C)C)cc2n1,CCO,430.0
6751,CCOC(=O)c1cc(C(=O)OCC)c2ccc(O)cc2n1,CCO,373.0
6752,CCOC(=O)c1cc(C(=O)OCC)c2ccc(OC)cc2n1,CCO,362.0
6753,CCOC(=O)c1cc(C(=O)OCC)c2cccc(O)c2n1,CCO,369.0
6754,CCOC(=O)c1cc(C(=O)OCC)c2cccc(OC)c2n1,CCO,368.0
6756,CCOC(=O)c1cc(C(=O)OCC)c2ccccc2n1,CCO,319.0
8747,COc1cc(N(CC(=O)[O-])CC(=O)[O-])c2ncccc2c1,O,353.0
14674,Oc1ccc2ncccc2c1,CC#N,331.0
5577,CCCC[n+]1c(/C=C2/C(=O)C(O)=C2[O-])sc2ccccc21,CCO,446.0
6065,CCN(CC)c1ccc2c(-c3ccccc3)c(C)c(/C=C/C=C3/N(CCCCCC(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)[o+]c2c1,CCO,707.0
6066,CCN(CC)c1ccc2c(-c3ccccc3)c(C)c(/C=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,709.0
6051,CCN(CC)c1ccc2c(-c3cc(S(=O)(=O)[O-])c(OC)cc3C)cc(/C=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,706.0
6057,CCN(CC)c1ccc2c(-c3ccc(OC)cc3C)cc(/C=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)O)cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,705.0
6063,CCN(CC)c1ccc2c(-c3cccc(S(=O)(=O)[O-])c3)c(C)c(/C=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,710.0
304,C(=C/c1ncnc2ccccc12)\c1ccc(N2CCCCC2)cc1,ClCCl,425.0
5561,CCCC[C@H](CC)COc1ccc(N(c2ccc(OC[C@@H](CC)CCCC)cc2)c2ccc(-c3sc(/C=C(\C#N)C(=O)O)c4c3OC[C@]3(CO4)COc4c(/C=C(\C#N)C(=O)O)sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)c6nsnc56)c4OC3)cc2)cc1,CS(C)=O,433.0
9603,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3sc(/C=C(\C#N)C(=O)O)c4c3OC[C@@]3(COc5c(/C=C(/C#N)C(=O)O)sc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)c7nsnc67)c5OC3)CO4)cc2)cc1,CS(C)=O,537.0
2014,CC1=CC(C)(C)Nc2ccc3c(-c4ccc(-c5ccccc5)cc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,510.0
6774,CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3,CCO,436.0
14500,O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3,C1CCCCC1,393.0
673,CC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3,CCO,445.0
14500,O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3,CC#N,418.0
14500,O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3,CCO,421.0
14500,O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3,CCOC(C)=O,409.0
10613,Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,C1CCCCC1,361.0
10613,Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,CC#N,380.0
10613,Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,CCO,387.0
10613,Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,O,396.0
1685,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(/C=C/C(=O)O)c(=O)oc31,CCO,451.0
1686,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(/C=C/C=C(/C#N)C(=O)O)c(=O)oc31,CCO,506.0
1687,CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(/C=C/C=C/C=C(/C#N)C(=O)O)c(=O)oc31,CCO,509.5
14500,O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3,OCC(O)CO,434.0
10677,Cc1cc(C)c(B(c2cc(-c3c(C)cc(C)cc3C)sc2-c2sc(-c3c(C)cc(C)cc3C)cc2P(=O)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,CO,370.0
10678,Cc1cc(C)c(B(c2cc(-c3ccc(C(C)(C)C)cc3)sc2-c2sc(-c3ccc(C(C)(C)C)cc3)cc2P(=O)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,CO,396.0
10679,Cc1cc(C)c(B(c2cc(-c3ccc(C(F)(F)F)cc3)sc2-c2sc(-c3ccc(C(F)(F)F)cc3)cc2P(=O)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,CO,389.0
10680,Cc1cc(C)c(B(c2cc(-c3ccc(N(C)C)cc3)sc2-c2sc(-c3ccc(N(C)C)cc3)cc2P(=O)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,CO,435.0
10681,Cc1cc(C)c(B(c2cc(-c3ccccc3)sc2-c2sc(-c3ccccc3)cc2P(=O)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,CO,392.0
8981,COc1ccc(-c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)c(-c3sc(-c4ccc(OC)cc4)cc3P(=O)(c3ccccc3)c3ccccc3)s2)cc1,CO,402.0
1492,CC(C)c1cccc(C(C)C)c1-n1c(=O)c2ccc3c4ccc5c(=O)n(-c6c(C(C)C)cccc6C(C)C)c(=O)c6cc7c(-c8ccccn8)nc8cc(c1=O)c2c3c8c7c4c56,ClC(Cl)Cl,474.0
7166,CCn1c2ccccc2c2cc(-c3cc(-c4c(OC)cccc4OC)c(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4-c4c(OC)cccc4OC)s3)ccc21,ClCCl,492.0
5515,CCCCOc1cccc(OCCCC)c1-c1cc(-c2ccc3c(c2)c2ccccc2n3CC)sc1-c1sc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1-c1c(OCCCC)cccc1OCCCC,ClCCl,498.0
4491,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)[se]4)[se]3)cc2)cc1,ClC(Cl)Cl,549.0
4491,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)[se]4)[se]3)cc2)cc1,C1CCOC1,520.0
14954,c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1,C1COCCO1,250.0
508,C=CCN(CC=C)c1ccc(-c2cc(-c3ccc(N(CC=C)CC=C)cc3)cc(-c3ccc(N(CC=C)CC=C)cc3)c2)cc1,ClCCl,315.8536585
3889,CCCCCCCCn1nc2c(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(C)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1,ClCCl,496.0
11304,Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nn(C)nc45)cc3C3CCCC32)cc1,ClCCl,495.0
3888,CCCCCCCCn1nc2c(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1,ClCCl,495.0
3320,CCCCCCCCCCc1nc(-c2nc(CCCCCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1,C1CCOC1,432.0
4981,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,ClCCl,460.0
4982,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,457.0
4984,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(C=C(C#N)C(=O)O)s3)s2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,457.0
3339,CCCCCCCCCc1nc(-c2nc(CCCCCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,432.0
7260,CN(C)C1=Nc2cccc3cccc1c23,CC#N,427.0
13241,N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3[nH]2)cc1,O,344.0
9210,COc1ccc(-n2nc(C#N)c(N3CCCCC3)n2)cc1,CC#N,340.0
13011,N#Cc1c(N2CCCCC2)cc(-c2ccccc2)c2c1-c1ccccc1C2,C1CCOC1,360.0
8758,COc1cc(NC2=CC3=c4cc(Nc5cc(OC)cc(OC)c5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(Nc7cc(OC)cc(OC)c7)cc(c4c65)C4=CC(Nc5cc(OC)cc(OC)c5)=C5N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C2C5C43)cc(OC)c1,C1CCOC1,668.0
3874,CCCCCCCCn1nc2c(-c3ccc(C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,ClCCl,714.0
5776,CCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,C1CCOC1,518.0
3879,CCCCCCCCn1nc2c(-c3ccc(C=C(C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,ClCCl,558.0
3527,CCCCCCCCOc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c(s6)-c6sc(/C=C(\C#N)C(=O)O)cc6C7(CC(CC)CCCC)CC(CC)CCCC)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)sc3-4)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3-c3ccc(OCCCCCCCC)cc3OCCCCCCCC)cc2)c(OCCCCCCCC)c1,ClCCl,600.0
15370,c1ccc2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32,ClCCl,339.0
10389,Cc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,ClC(Cl)Cl,313.0
10389,Cc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,C1CCOC1,341.0
10389,Cc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,CN(C)C=O,317.0
10389,Cc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1,Cc1ccccc1,341.0
5634,CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)nc2c(-c3cccs3)sc(-c3cccs3)c21,C1CCOC1,388.0
14730,S=P1(c2ccccc2)c2cccc3ccc4ccc1n4c23,ClCCl,407.0
3371,CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCCC)c3cc(-c4ccc(/C=C(/C#N)C(=O)O)o4)ccc32)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc21,ClCCl,589.0
3372,CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCCC)c3cc(-c4ccc(/C=C(/C#N)C(=O)O)o4)ccc32)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,571.0
14811,[O-]c1c(-c2nc3ccccc3s2)cc2ccc3cccc4ccc1c2c34,CC#N,514.0
14811,[O-]c1c(-c2nc3ccccc3s2)cc2ccc3cccc4ccc1c2c34,CS(C)=O,524.0
14255,O=S1(=O)C2=C(c3ccccc31)C1(C3=C(c4ccccc41)S(=O)(=O)c1ccccc13)c1ccccc12,ClCCl,360.0
5361,CCCCN1NC2C(N1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)C1NSNC1C2c1ccc(/C=C(\C#N)C(=O)O)cc1,C1CCOC1,588.0
11282,Cc1ccc(N2c3cc(-c4ccc(-c5cc6c(s5)-c5sc(C=C(C#N)C(=O)O)cc5-c5c7cccc5OCCCCCCCCOc5cccc(c5-6)OCCCCCCCCO7)c5nsnc45)ccc3C3CCCC32)cc1,ClCCl,544.0
3458,CCCCCCCCOCc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(CCc2c(OCCCCCCCC)cc(C(=O)O)cc2OCCCCCCCC)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(C)cc1)c1ccc(C)cc1)=C1/C=CC(=N1)/C=3N(c1ccc(C)cc1)c1ccc(C)cc1,CCO,663.0
3459,CCCCCCCCOCc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(CCc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(C)cc1)c1ccc(C)cc1)=C1/C=CC(=N1)/C=3N(c1ccc(C)cc1)c1ccc(C)cc1,CCO,657.0
3457,CCCCCCCCOCc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(CCc2c(OCCCC)cc(C(=O)O)cc2OCCCC)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(C)cc1)c1ccc(C)cc1)=C1/C=CC(=N1)/C=3N(c1ccc(C)cc1)c1ccc(C)cc1,CCO,662.0
15211,c1ccc(C2=C(c3ccccc3)c3cccc4c3c(cc3nc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5nc34)O2)cc1,ClCCl,516.0
6224,CCN(CC)c1ccc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5cc6ccc(N(CC)CC)cc6oc5=O)cc4)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)cc3)c(=O)oc2c1,ClCCl,460.0
1356,CC(C)CCOc1cc(/C=C/c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)-c3ccccc3C4(C)C)cc2)c(OCCC(C)C)cc1C=Cc1cc(OCCC(C)C)c(/C=C(\C#N)C(=O)O)cc1OCCC(C)C,C1CCOC1,466.0
4902,CCCCCCc1cc2sc(/C=C/C3=[N+]4C(=C(c5ccc(C(=O)O)cc5)c5c(C)cc(/C=C/c6cc7sc(CCCCCC)cc7s6)n5[B-]4(C#CCOCCOC)C#CCOCCOC)C(C)=C3)cc2s1,C1CCOC1,695.0
14711,Oc1ccccc1C1=NC2c3cccc4cccc(c34)C2N1c1ccccc1,Cc1ccccc1,430.0
9976,COc1ccccc1C1=NC2c3cccc4cccc(c34)C2N1c1ccccc1,Cc1ccccc1,312.0
5772,CCCCn1c2ccccc2c2ccc3c4cc(-c5ccc6ccccc6c5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,332.0
15176,c1ccc(-n2nc3ccccc3n2)cc1,CO,305.0
1048,CC(C)(C)c1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)o2)cc1,Cc1ccccc1,333.0
5667,CCCCn1c(/C=C/c2ccccc2)nc2c(N(C)C)nc(N(C)C)nc21,ClCCl,395.0
7778,CN(C)c1nc(N(C)C)c2nc(/C=C/c3ccccc3)n(C)c2n1,ClCCl,395.0
8950,COc1ccc(-c2c3ccccc3c(C#Cc3ccccc3)c3cc4cc(C)sc4cc23)cc1,ClCCl,481.0
3009,CCCCCCCCC1(CCCCCCCC)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(C#Cc3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(C=C(C#N)C(=O)O)ccc3-4)cc21,C1CCOC1,397.0
8155,COC(=O)C(Cc1ccc2oc(-c3ccncc3)nc2c1)NC(=O)OC(C)(C)C,CC1CCCCC1,307.1227364
8155,COC(=O)C(Cc1ccc2oc(-c3ccncc3)nc2c1)NC(=O)OC(C)(C)C,CO,306.0764588
8155,COC(=O)C(Cc1ccc2oc(-c3ccncc3)nc2c1)NC(=O)OC(C)(C)C,CC#N,302.8571429
5079,CCCCCCn1c2ccc(C(Cl)=CC=Nc3ccc(C(=O)O)c(O)c3)cc2c2cc(C(Cl)=CC=Nc3ccc(C(=O)O)c(O)c3)ccc21,CN(C)C=O,423.0
1924,CC1=C(/C=C/c2ccccc2)C2=Cc3c(/C=C/c4ccccc4)c(C)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,572.0
13488,O=C(COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCC(=O)N1C(=O)CCC1=O,CO,625.0
4632,CCCCCCOc1cccc(OCCCCCC)c1N1c2ccc(-c3nc(CCCCCC)c(/C=C(/C#N)C(=O)O)s3)cc2Sc2cc(-c3nc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,520.0
4633,CCCCCCOc1cccc(OCCCCCC)c1N1c2ccc(-c3nc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3nc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,520.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,C1CCOC1,532.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,CC#N,537.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,CC(C)=O,536.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,CCOC(C)=O,527.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,CN(C)C=O,545.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,CO,537.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,CS(C)=O,549.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,Cc1ccccc1,527.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,ClC(Cl)Cl,538.0
10033,CSc1cc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)oc(=O)c1C#N,ClCCl,541.0
6356,CCN1C(=O)/C(=c2\s/c(=C/c3ccc(-c4ccc5c(c4)N(c4ccc(C=C(c6ccccc6)c6ccccc6)cc4)CC5)s3)c(=O)n2CC(=O)O)SC1=S,ClCCl,335.0
5993,CCN(CC)c1ccc(/C=N/c2cc3nc4ccccc4nc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,ClCCl,476.0
14707,Oc1ccccc1/C=N/c1cc2nc3ccccc3nc2cc1/N=C/c1ccccc1O,CC#N,403.0
5993,CCN(CC)c1ccc(/C=N/c2cc3nc4ccccc4nc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,451.0
5993,CCN(CC)c1ccc(/C=N/c2cc3nc4ccccc4nc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CN(C)C=O,488.0
301,C(=C/c1ncccn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,373.0
5330,CCCCN1C(=O)C2=C(c3ccc(-c4ccccc4)cc3)[N-]C(=O)C2=C1c1ccc(-c2ccccc2)cc1,ClCCl,585.0
2156,CC1=[N+]2C(=C(c3ccccc3)c3c4ccccc4c(C)n3[B-]2(F)F)c2ccccc21,CC#N,597.0
2068,CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]21Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1,ClC(Cl)Cl,506.0
10215,C[Si]1(C)C2=C(c3ccccc31)S(=O)(=O)c1cc3c(cc12)S(=O)(=O)C1=C3[Si](C)(C)c2ccccc21,C1CCOC1,468.0
1585,CC1(C)C(/C=C/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21,CCO,508.0
1585,CC1(C)C(/C=C/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21,CS(C)=O,494.0
1585,CC1(C)C(/C=C/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21,O,592.0
1586,CC1(C)C(/C=C/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CS(C)=O,491.0
1586,CC1(C)C(/C=C/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,O,564.0
652,CC(=O)[B-]1(C(C)=O)OC(c2ccccc2)=CC(c2ccccc2)=[O+]1,ClC(Cl)(Cl)Cl,382.0
8801,COc1cc(OC)cc(C2=[O+][B-](F)(F)OC(c3ccccc3)=C2)c1,ClCCl,369.0
9440,COc1ccc(C2=CC(c3cc(OC)cc(OC)c3)=[O+][B-](F)(F)O2)cc1,ClCCl,396.0
9441,COc1ccc(C2=CC(c3ccc(OC)cc3)=[O+][B-](C(C)=O)(C(C)=O)O2)cc1,CC#N,410.0
9441,COc1ccc(C2=CC(c3ccc(OC)cc3)=[O+][B-](C(C)=O)(C(C)=O)O2)cc1,ClC(Cl)(Cl)Cl,405.0
12039,F[B-]1(F)OC(c2ccccc2)=CC(c2ccccc2)=[O+]1,CC#N,376.0
12039,F[B-]1(F)OC(c2ccccc2)=CC(c2ccccc2)=[O+]1,ClC(Cl)(Cl)Cl,375.0
652,CC(=O)[B-]1(C(C)=O)OC(c2ccccc2)=CC(c2ccccc2)=[O+]1,CC#N,377.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCCCC1,472.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,469.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1COCCO1,466.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,464.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC(C)=O,465.5
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC(C)CC(C)(C)C,468.5
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC1CCCCC1,471.5
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCCCC,466.5
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCCCCC,468.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCCCCCC,469.5
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCCCOCCCC,469.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCOC(C)=O,466.5
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCOCC,466.5
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,471.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CS(C)=O,474.0
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,475.5
14006,O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,479.0
12888,N#CC1=C(c2ccc(-c3cccs3)s2)CC1,C1CCOC1,366.0
12888,N#CC1=C(c2ccc(-c3cccs3)s2)CC1,CC#N,364.0
12888,N#CC1=C(c2ccc(-c3cccs3)s2)CC1,CCCCCC,361.0
12888,N#CC1=C(c2ccc(-c3cccs3)s2)CC1,CCO,367.0
12888,N#CC1=C(c2ccc(-c3cccs3)s2)CC1,OCCOCCO,371.0
12888,N#CC1=C(c2ccc(-c3cccs3)s2)CC1,c1ccncc1,372.0
14095,O=CC1=C(c2ccc(-c3cccs3)s2)CC1,OCCOCCO,384.0
14095,O=CC1=C(c2ccc(-c3cccs3)s2)CC1,c1ccncc1,395.0
14095,O=CC1=C(c2ccc(-c3cccs3)s2)CC1,C1CCOC1,388.0
14095,O=CC1=C(c2ccc(-c3cccs3)s2)CC1,CC#N,387.0
14095,O=CC1=C(c2ccc(-c3cccs3)s2)CC1,CCCCCC,380.0
14095,O=CC1=C(c2ccc(-c3cccs3)s2)CC1,CCO,396.0
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,NC=O,327.6969459
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,OC1CCCCC1,328.6014721
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,OCCO,338.9026333
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,c1ccccc1,328.7959492
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,C1CCCCC1,325.99837
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,C1CCOC1,327.2893893
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,C1COCCO1,327.3001015
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC#N,325.9027506
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)=O,325.9027506
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CC(C)(C)C,325.0975293
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)CO,335.7958361
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)O,327.0004251
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC(C)OC(C)C,327.3965427
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC(O)CO,337.9977016
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC1CCCO1,326.9042171
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CC1COC(=O)O1,325.99837
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCC(C)CC,324.4014793
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCCCC,324.4962196
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCC,325.2984613
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCCC,325.99837
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCCCC,326.2004175
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCCO,328.2994091
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCCO,328.2024353
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCCCCO,327.3001015
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCCCO,327.3965427
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCO,334.694424
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCOC(C)=O,325.5950249
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CCOCC,325.2984613
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CN(C)C=O,327.901105
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CO,334.2022592
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,COCCOC,326.7973856
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,CS(C)=O,332.6016098
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1,328.9040916
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,Cc1ccccc1C,329.0989271
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,ClC(Cl)Cl,329.6956909
8154,COC(=O)C(Cc1ccc2oc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc2c1)NC(=O)OC(C)(C)C,ClCCl,328.7959492
12612,N#C/C(=C\c1sc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2c1OCCO2)C(=O)O,CN(C)C=O,514.0
4510,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)s3)cc2)cc1,CN(C)C=O,528.0
291,C(=C/c1nc2ccccc2s1)\c1ccc(Cn2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5cn(Cc6ccc(/C=C/c7nc8ccccc8s7)cc6)nn5)cc4)cc3)nn2)cc1,CN(C)C=O,344.0
239,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2nc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)n2)cc1,ClC(Cl)Cl,421.0
14246,O=S(=O)(c1cccc(N2c3ccccc3Oc3ccccc32)c1)c1cccc(N2c3ccccc3Oc3ccccc32)c1,C1CCOC1,317.0
14246,O=S(=O)(c1cccc(N2c3ccccc3Oc3ccccc32)c1)c1cccc(N2c3ccccc3Oc3ccccc32)c1,Cc1ccccc1,308.0
14246,O=S(=O)(c1cccc(N2c3ccccc3Oc3ccccc32)c1)c1cccc(N2c3ccccc3Oc3ccccc32)c1,ClC(Cl)Cl,315.0
2441,CCC1=C(C)C2=C(c3ccc(C(=O)O)cc3)C3=C(C)C(CC)C(C)=[N+]3[B-](C#COCCOC)(C#COCCOC)N2C1/C=C/c1ccc(OCCOCCOC)cc1,CC#N,570.0
5504,CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(-c3c(-c4ccc(-c5ccc(-c6cccs6)s5)s4)sc(-c4ccsc4-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)c3-c3ccc(N(c4ccc(OCCCC)cc4)c4ccc(OCCCC)cc4)cc3)cc2)cc1,C1CCOC1,496.0
8328,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3c(C)cc(C)cc3[nH]2)n1,ClC(Cl)Cl,383.49
8329,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3cc(Br)ccc3[nH]2)n1,ClC(Cl)Cl,387.86
8331,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3cc(C)ccc3[nH]2)n1,ClC(Cl)Cl,383.76
8332,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3cc(Cl)ccc3[nH]2)n1,ClC(Cl)Cl,387.19
8333,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3cc(F)ccc3[nH]2)n1,ClC(Cl)Cl,384.1
8334,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)n1,ClC(Cl)Cl,394.29
8335,COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3ccccc3[nH]2)n1,ClC(Cl)Cl,382.49
6763,CCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3ccccc3[nH]2)n1,ClC(Cl)Cl,387.82
6764,CCOC(=O)c1cc2c3ccccc3n(CC)c2c(-c2nc3ccccc3[nH]2)n1,ClC(Cl)Cl,382.14
530,C=CCn1c2ccccc2c2cc(C(=O)OC)nc(-c3nc4ccccc4[nH]3)c21,ClC(Cl)Cl,382.31
87,C#CCn1c2ccccc2c2cc(C(=O)OC)nc(-c3nc4c(C)cc(C)cc4[nH]3)c21,ClC(Cl)Cl,383.73
7210,CCn1c2ccccc2c2cc(C(=O)OC)nc(-c3nc4ccccc4[nH]3)c21,ClC(Cl)Cl,384.27
10437,Cc1cc(/C=C/C=C/c2ccco2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,562.0
2307,CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccccc5)c5ccc6c(c5)C(CC)(CC)c5cc(-c7ccc(/C=C(\C#N)C(=O)O)s7)ccc5-6)ccc3-4)cc21,C1CCOC1,453.0
187,C(=C(c1ccccc1)c1ccccc1)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1,C1CCOC1,352.0
11856,Cn1c(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)ccc1C=C(C#N)C(=O)O,ClC(Cl)Cl,514.0
5455,CCCCOc1c(-c2ccc(C=O)cc2)cc2cc(-c3ccc(C=O)cc3)c(OCCCC)c3c4c(OCCCC)c(-c5ccc(C=O)cc5)cc5cc(-c6ccc(C=O)cc6)c(OCCCC)c(c1c23)c54,ClCCl,452.0
1925,CC1=C(Br)C(/C=C/c2ccncc2)=[N+]2C1=C(c1ccccc1)c1c(C)c(Br)c(/C=C/c3ccncc3)n1[B-]2(F)F,ClC(Cl)Cl,620.0
9927,COc1cccc(Oc2ccccc2/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,557.0
10590,Cc1cc(/C=C/c2ccccc2Oc2ccc(F)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
5073,CCCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3ccc(C=C(c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3)ccc21,ClCCl,412.0
5081,CCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccc(C=C(c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3)ccc21,ClCCl,412.0
14922,c1ccc(-c2[o+]c3c(-c4ccccc4)c(-c4ccccc4)c4cccc5ccc(c2-c2ccccc2)c3c54)cc1,ClCCl,491.0
10889,Cc1ccc(-c2[o+]c3c(-c4ccc(C)cc4)c(-c4ccc(C)cc4)c4cccc5ccc(c2-c2ccc(C)cc2)c3c54)cc1,ClCCl,507.0
14120,O=Cc1ccc(-c2[o+]c3c(-c4ccc(C=O)cc4)c(-c4ccc(C=O)cc4)c4cccc5ccc(c2-c2ccc(C=O)cc2)c3c54)cc1,ClCCl,485.0
11959,FC(F)(F)c1ccc(-c2[o+]c3c(-c4ccc(C(F)(F)F)cc4)c(-c4ccc(C(F)(F)F)cc4)c4cccc5ccc(c2-c2ccc(C(F)(F)F)cc2)c3c54)cc1,ClCCl,477.0
11736,Clc1ccc(-c2[o+]c3c(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)c4cccc5ccc(c2-c2ccc(Cl)cc2)c3c54)cc1,ClCCl,498.0
7062,CCc1ccc(-c2c(-c3ccc(OC)cc3)[o+]c3c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)c4cccc5ccc2c3c54)cc1,ClCCl,546.0
12233,Fc1cccc(-c2[o+]c3c(-c4cccc(F)c4)c(-c4cccc(F)c4)c4cccc5ccc(c2-c2cccc(F)c2)c3c54)c1,ClCCl,485.0
6038,CCN(CC)c1ccc(N=Nc2ccc3c4c(cccc24)C(=O)N(c2ccc(S(=O)(=O)Nc4nccs4)cc2)C3=O)c(C)c1,CN(C)C=O,552.0
2321,CCC1(CC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21,ClCCl,409.0
12089,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,CCCCCC,473.0
12089,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,Cc1ccccc1,472.0
12089,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,ClCCl,438.0
14582,OCCSc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,C1CCOC1,485.0
14582,OCCSc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CC#N,480.0
14582,OCCSc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CCCCCC,484.0
14582,OCCSc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,Cc1ccccc1,487.0
11553,Cc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,C1CCOC1,472.0
11553,Cc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CC#N,465.0
11553,Cc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CCCCCC,464.0
11553,Cc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,Cc1ccccc1,475.0
11553,Cc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,ClCCl,441.0
3152,CCCCCCCCCCCCNc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,C1CCOC1,498.0
3152,CCCCCCCCCCCCNc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CC#N,493.0
3152,CCCCCCCCCCCCNc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CCCCCC,496.0
3152,CCCCCCCCCCCCNc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,Cc1ccccc1,500.0
4148,CCCCCCNc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,ClCCl,467.0
12088,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc(Cl)[n+]21,C1CCOC1,476.0
12088,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc(Cl)[n+]21,CC#N,470.0
12088,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc(Cl)[n+]21,CCCCCC,481.0
12088,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc(Cl)[n+]21,Cc1ccccc1,481.0
12088,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc(Cl)[n+]21,ClCCl,447.0
12089,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,C1CCOC1,468.0
12089,F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,CC#N,460.0
12501,N#C/C(=C\c1ccc(-c2sc(-c3ccc4c(c3)N(c3ccccc3)C3C5CCC(C5)C43)c3c2OCCO3)cc1)C(=O)O,ClCCl,511.0
3336,CCCCCCCCCc1c2ccccc2cc2c1oc1c3oc4c5oc6cc7ccccc7cc6c5c5ccccc5c4c3c3ccccc3c21,C1CCOC1,420.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,ClC(Cl)Cl,433.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,ClCCl,433.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,c1ccccc1,434.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,C1CCOC1,437.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,CCCCCC,419.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,CCO,444.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,CCOC(C)=O,434.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,CN(C)C=O,443.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,CO,442.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,Cc1ccccc1,434.0
14063,O=C1c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23,ClC(Cl)(Cl)Cl,427.0
14770,[NH2+]=c1ccc2c(-c3ccc(C4OCCCO4)cc3)c3c(cc4n3CCCCCC=C4)oc-2c1,O,540.0
3958,CCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc32)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClC(Cl)Cl,400.0
3376,CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCCC)c3cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)ccc32)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,568.0
3377,CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCCC)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,537.0
3158,CCCCCCCCCCCCOc1cc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(NC(=O)c6cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c6)cc5)ccc3-4)cc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC,C1CCOC1,447.0
11049,Cc1ccc(/C2=c3\cc/c(o3)=C(\c3ccc(C)cc3)c3ccc([nH]3)-c3ccc4n3[P-](=O)(=O)[N+]3=C(C=CC3=C4c3ccc[nH]3)c3ccc2[nH]3)cc1,ClC(Cl)Cl,723.0
11324,Cc1ccc(N2c3ccc(-c4ccc(C#Cc5ccc(C(=O)O)cc5)c5nsnc45)cc3C3CCCC32)cc1,ClCCl,508.0
11325,Cc1ccc(N2c3ccc(-c4ccc(C#Cc5ccc(C(=O)O)cc5)c5nsnc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,508.0
9281,COc1ccc(/C=C/c2cc[nH+]c3ccccc23)cc1,ClC(Cl)Cl,412.0
7429,CN(C)c1ccc(/C=C/c2cc[n+](CCCS(=O)(=O)[O-])c3ccccc23)cc1,CO,547.0
7424,CN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1,CC(C)=O,540.0
7424,CN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1,ClCCl,581.0
7424,CN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1,O,510.0
280,C(=C/c1nc2c(c(N3CCOCC3)n1)CCCC2)\c1ccccc1,ClCCl,284.0
4577,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C34CSC(c5ccc(C=C(C#N)C(=O)O)c6nsnc56)=C3OCCO4)cc2)cc1,Clc1ccccc1,563.0
4593,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc([C@@]34CSC(c5ccc(/C=C(\C#N)C(=O)O)c6nsnc56)=C3OCCO4)cc2)cc1,Clc1ccccc1,563.0
15272,c1ccc(N(c2ccccc2)c2ccc(-c3ccncn3)cc2)cc1,ClCCl,367.0
3082,CCCCCCCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCCCCCCCC)C5=O,CN(C)C=O,525.0
3083,CCCCCCCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)NC5=O,CN(C)C=O,523.0
3139,CCCCCCCCCCCCN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,ClC(Cl)Cl,525.2011859381618
3140,CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,CN(C)C=O,523.0
3141,CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)NC5=O,CN(C)C=O,522.0
13264,NCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCCN)C5=O,CN(C)C=O,523.0
13266,NCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)NC5=O,CN(C)C=O,523.0
2276,CCC(CC)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CC)CC)C5=O,Cc1ccccc1,525.0
2946,CCCCCCCC(CCCCCCC)N1C(=O)c2c(Br)cc3c4cc(Br)c5c6c(c(Br)cc(c7cc(Br)c(c2c37)C1=O)c64)C(=O)N(C(CCCCCCC)CCCCCCC)C5=O,ClCCl,509.0
2947,CCCCCCCC(CCCCCCC)N1C(=O)c2c(C#N)cc3c4cc(C#N)c5c6c(c(C#N)cc(c7cc(C#N)c(c2c37)C1=O)c64)C(=O)N(C(CCCCCCC)CCCCCCC)C5=O,ClCCl,518.0
2948,CCCCCCCC(CCCCCCC)N1C(=O)c2c(Cl)cc3c4cc(Cl)c5c6c(c(Cl)cc(c7cc(Cl)c(c2c37)C1=O)c64)C(=O)N(C(CCCCCCC)CCCCCCC)C5=O,ClCCl,505.0
2949,CCCCCCCC(CCCCCCC)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CCCCCCC)CCCCCCC)C5=O,ClCCl,526.0
5334,CCCCN1C(=O)c2c(Br)c(Br)c3c4c(Br)c(Br)c5c6c(c(Br)c(Br)c(c7c(Br)c(Br)c(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,538.0
5335,CCCCN1C(=O)c2cc(Br)c3c4c(Br)c(Br)c5c6c(cc(Br)c(c7c(Br)c(Br)c(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,534.0
5336,CCCCN1C(=O)c2cc(Br)c3c4c(Br)cc5c6c(cc(Br)c(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,532.0
3058,CCCCCCCCCCCC#CC#CCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCC#CC#CCCCCCCCCCCCC)C5=O,ClC(Cl)Cl,526.0
5344,CCCCN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,524.0
5347,CCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,526.0
2491,CCCC(=O)c1c(OCOC)c(OCOC)c(C(=O)CCC)c2c1OCO2,CC#N,332.0
2293,CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21,C1CCOC1,470.0
13645,O=C(O)CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)cc2)SC1=S,CCO,470.0
9414,COc1ccc(C2=C(c3ccc(OC)cc3)c3cccc4c5c(cc(c34)O2)=NC2C=C(Br)C(Br)=CC2N=5)cc1,ClCCl,526.0
2210,CC1N=c2c(cc3c(c2S(=O)(=O)O)Oc2c(cc4c(c2S(=O)(=O)O)NC(C)C4(C)C)C=3c2ccc(C(=O)O)cc2)C1(C)C,O,534.0
4694,CCCCCCc1c(C#Cc2ccc(N(C)C)cc2)sc2cc(-c3cc4sc(/C=C(\C#N)C(=O)O)c(CCCCCC)c4s3)sc12,CN(C)C=O,455.0
13646,O=C(O)CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)cc2)SC1=S,CN(C)C=O,467.0
5,B1Nc2ccccc2-c2ccccc21,C1CCCCC1,326.0
455,C1=Cc2ccccc2C(=Cc2ccc(-c3cc(-c4ccc(C=C5c6ccccc6C=Cc6ccccc65)cc4)c(-c4ccc(C=C5c6ccccc6C=Cc6ccccc65)cc4)cc3-c3ccc(C=C4c5ccccc5C=Cc5ccccc54)cc3)cc2)c2ccccc21,C1CCOC1,324.0
14165,O=P(c1ccccc1)(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,370.0
14260,O=S1(=O)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2C2(c3ccccc3-c3ccccc32)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21,ClCCl,341.0
2169,CC1=c2cc3c(cc2=[N+]2C1=Cc1c4ccccc4c(C)n1[B-]2(F)F)C1=Cc2c4ccccc4c(C)n2[B-](F)(F)[N+]1=C3C,ClC(Cl)Cl,848.0
15377,c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccncc3)cccc21,C1CCCCC1,308.0
13323,Nc1ccc(/C=C/c2ccc3ccccc3c2)cc1,CCCCCC,342.0
13323,Nc1ccc(/C=C/c2ccc3ccccc3c2)cc1,CC#N,348.0
1393,CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(-c2ccc(C=C(C#N)C(=O)O)s2)c2cc3ccccc3cc12)(C(C)C)C(C)C,C1CCOC1,625.0
12363,N#C/C(=C\c1cc2sc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2s1)C(=O)O,CN(C)C=O,503.0
4639,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(-c3ccc(-c4ccncc4)cc3)s2)S1,C1CCOC1,417.0
12611,N#C/C(=C\c1sc(-c2ccc(-c3ccc(N(c4ccc5c(c4)OCCO5)c4ccc5c(c4)OCCO5)cc3)s2)c2c1OCCO2)C(=O)O,CN(C)C=O,524.0
1348,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Oc5cc(/C=C/C=C/c6ccc(N(C)C)cc6)ccc5[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C,CO,448.0
9247,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)cc3)=C2c2ccc(OC)cc2)cc1,ClCCl,506.0
9248,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)cc3)=C2c2cccc(OC)c2)cc1,ClCCl,504.0
9249,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)cc3)=C2c2ccccc2)cc1,CC#N,500.0
9249,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)cc3)=C2c2ccccc2)cc1,CC(C)=O,500.0
9249,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)cc3)=C2c2ccccc2)cc1,CCOC(C)=O,496.0
9249,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)cc3)=C2c2ccccc2)cc1,CCOCC,491.0
9249,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)cc3)=C2c2ccccc2)cc1,ClC(Cl)(Cl)Cl,493.0
9249,COc1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OC)cc3)=C2c2ccccc2)cc1,ClCCl,505.0
8376,COC(=O)c1ccc(C2=C(/C=C/c3ccc(OC)cc3)O[B-](F)(F)[O+]=C2/C=C/c2ccc(OC)cc2)cc1,ClCCl,507.0
342,C(=N/c1ccc(-c2cn3nc(-c4cccs4)sc3n2)cc1)\c1c2ccccc2cc2ccccc12,ClC(Cl)Cl,380.0
3669,CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc3c(c2)Sc2cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc2N3CCCCCCCC)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,447.0
5688,CCCCn1c2cc(-c3ccc(-c4cnccn4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,402.0
13552,O=C(O)CCCCCCn1c2cc(-c3ccc(-c4cnccn4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,402.0
12453,N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)s1)C(=O)O,ClC(Cl)Cl,502.0
9128,COc1ccc(-c2nc(C(C)=O)c(C)o2)cc1,CCOC(C)=O,279.0
9128,COc1ccc(-c2nc(C(C)=O)c(C)o2)cc1,CCOCC,276.0
9128,COc1ccc(-c2nc(C(C)=O)c(C)o2)cc1,ClCCl,277.0
8448,COC(=O)c1nc(-c2ccccc2)oc1C,C1CCCCC1,267.0
8448,COC(=O)c1nc(-c2ccccc2)oc1C,CC#N,267.0
8448,COC(=O)c1nc(-c2ccccc2)oc1C,CCO,267.0
8448,COC(=O)c1nc(-c2ccccc2)oc1C,CCOC(C)=O,267.0
8448,COC(=O)c1nc(-c2ccccc2)oc1C,O,267.0
740,CC(=O)c1nc(-c2ccc(N(C)C)cc2)oc1C,CCOCC,316.0
740,CC(=O)c1nc(-c2ccc(N(C)C)cc2)oc1C,ClCCl,317.0
9128,COc1ccc(-c2nc(C(C)=O)c(C)o2)cc1,CC#N,278.0
9128,COc1ccc(-c2nc(C(C)=O)c(C)o2)cc1,CCCCCC,278.0
9128,COc1ccc(-c2nc(C(C)=O)c(C)o2)cc1,CCO,277.0
11712,Cc1oc(-c2ccccc2)nc1C(=O)O,C1CCCCC1,269.0
11712,Cc1oc(-c2ccccc2)nc1C(=O)O,CC#N,267.0
11712,Cc1oc(-c2ccccc2)nc1C(=O)O,CCO,273.0
11712,Cc1oc(-c2ccccc2)nc1C(=O)O,CCOC(C)=O,267.0
11712,Cc1oc(-c2ccccc2)nc1C(=O)O,O,273.0
739,CC(=O)c1nc(-c2ccc(C)cc2)oc1C,CCOC(C)=O,273.0
739,CC(=O)c1nc(-c2ccc(C)cc2)oc1C,CCOCC,271.0
739,CC(=O)c1nc(-c2ccc(C)cc2)oc1C,ClCCl,271.0
739,CC(=O)c1nc(-c2ccc(C)cc2)oc1C,CC#N,271.0
739,CC(=O)c1nc(-c2ccc(C)cc2)oc1C,CCCCCC,272.0
739,CC(=O)c1nc(-c2ccc(C)cc2)oc1C,CCO,271.0
740,CC(=O)c1nc(-c2ccc(N(C)C)cc2)oc1C,CC#N,318.0
740,CC(=O)c1nc(-c2ccc(N(C)C)cc2)oc1C,CCCCCC,315.0
740,CC(=O)c1nc(-c2ccc(N(C)C)cc2)oc1C,CCO,321.0
740,CC(=O)c1nc(-c2ccc(N(C)C)cc2)oc1C,CCOC(C)=O,320.0
8446,COC(=O)c1nc(-c2ccc(OC)cc2)oc1C,C1CCCCC1,275.0
8446,COC(=O)c1nc(-c2ccc(OC)cc2)oc1C,CC#N,276.0
8446,COC(=O)c1nc(-c2ccc(OC)cc2)oc1C,CCO,278.0
8446,COC(=O)c1nc(-c2ccc(OC)cc2)oc1C,CCOC(C)=O,276.0
15417,c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n1ccnc21,Cc1ccccc1,376.0
15342,c1ccc2[nH]ncc2c1,C1CCCCC1,294.0
13341,Nc1ccc2[nH]ncc2c1,C1CCCCC1,326.0
13427,Nc1cccc2cn[nH]c12,O,294.0
13427,Nc1cccc2cn[nH]c12,C1CCCCC1,296.0
13411,Nc1ccc2cn[nH]c2c1,C1CCCCC1,296.0
12007,F[B-]1(F)N(c2ccccc2)C=Cc2cccc[n+]21,C1CCCCC1,442.0
12007,F[B-]1(F)N(c2ccccc2)C=Cc2cccc[n+]21,C1CCOC1,425.0
12007,F[B-]1(F)N(c2ccccc2)C=Cc2cccc[n+]21,CC#N,412.0
12007,F[B-]1(F)N(c2ccccc2)C=Cc2cccc[n+]21,CC(C)=O,422.0
12007,F[B-]1(F)N(c2ccccc2)C=Cc2cccc[n+]21,CCO,418.0
12007,F[B-]1(F)N(c2ccccc2)C=Cc2cccc[n+]21,CCOC(C)=O,427.0
12007,F[B-]1(F)N(c2ccccc2)C=Cc2cccc[n+]21,CO,417.0
12007,F[B-]1(F)N(c2ccccc2)C=Cc2cccc[n+]21,O,396.0
11222,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)cc2)cc1,C1CCOC1,387.0
12426,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)C(=O)O,C1CCOC1,380.0
9569,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)cc2)cc1,C1CCOC1,399.0
11203,Cc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3c(C)cc(C)cc3C)=C3/C=CC2=N3)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c2ccc(C)cc2)cc1,ClCCl,615.0
4504,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ncc(-c5ccc(C=C(C#N)C(=O)O)s5)c5c4nc(CCC)n5C)s3)cc2)cc1,Cc1ccccc1,416.0
14908,c1cc2cnc3c4sccc4c(c1)n23,CO,420.0
12009,F[B-]1(F)N2C(=Nc3cccc4cccc2c34)c2cccc[n+]21,CO,348.0
12009,F[B-]1(F)N2C(=Nc3cccc4cccc2c34)c2cccc[n+]21,CS(C)=O,351.0
12009,F[B-]1(F)N2C(=Nc3cccc4cccc2c34)c2cccc[n+]21,Cc1ccccc1,354.0
12009,F[B-]1(F)N2C(=Nc3cccc4cccc2c34)c2cccc[n+]21,CC#N,350.0
2520,CCCC1(CCC)c2ccccc2-c2c1c1c(c3c2C(CCC)(CCC)c2ccc(C(c4ccc(OC)cc4)c4ccc(-c5sc(/C=C(\C#N)C(=O)O)c6c5OCCO6)cc4)cc2-3)C(CCC)(CCC)c2ccccc2-1,ClCCl,498.0
255,C(=C/c1ccccc1/C=C/c1c2ccccc2cc2ccccc12)\c1ccncc1,C1CCOC1,388.0
4903,CCCCCCc1ccc(-c2cc(/C3=C4\C=CC(=N4)/C(C#Cc4ccc(C(=O)O)cc4)=c4/cc/c5n4[Zn]n4c(ccc43)/C(C#Cc3ccc(N(C)C)cc3)=C3/C=CC(=N3)/C=5c3cc(-c4ccc(CCCCCC)s4)cc(-c4ccc(CCCCCC)s4)c3)cc(-c3ccc(CCCCCC)s3)c2)s1,C1CCOC1,461.0
299,C(=C/c1ncc2ccccc2n1)\c1ccc(N2CCCCC2)cc1,ClCCl,385.0
13006,N#Cc1c(N2CCCCC2)cc(-c2cccc3ccccc23)c2c1-c1ccccc1C2,C1CCOC1,358.0
1354,CC(C)CCOc1cc(/C=C(\C#N)C(=O)O)c(OCCC(C)C)cc1/C=C/c1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)-c2ccccc2C3(C)C)cc1,C1CCOC1,457.0
4990,CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc1C=C(C#N)c1ccc(-c2ccc(C=C(C#N)C(=O)O)o2)cc1,ClCCl,480.0
6092,CCN(CC)c1ccc2c(/C=C/C=C3\N(CCCCCC(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)cc(C(C)(C)C)[o+]c2c1,CCO,638.0
6093,CCN(CC)c1ccc2c(/C=C/C=C3\N(CCCCCS(=O)(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)cc(C(C)(C)C)[o+]c2c1,CCO,637.0
6294,CCN(CCCS(=O)(=O)O)c1ccc2c(/C=C/C=C3\N(CCCCCS(=O)(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)cc(C(C)(C)C)[o+]c2c1,CCO,636.0
939,CC(C)(C)c1cc(/C=C/C=C2\N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)c2ccc(N)cc2[o+]1,CCO,623.0
941,CC(C)(C)c1cc(/C=C/C=C2\N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)c2ccc(N)cc2[o+]1,CCO,623.0
6300,CCN(CCCS(=O)(=O)[O-])c1ccc2c(/C=C/C=C3\N(CCCCCC(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)cc(C(C)(C)C)[o+]c2c1,CCO,638.0
6301,CCN(CCCS(=O)(=O)[O-])c1ccc2c(/C=C/C=C3\N(CCCCCS(=O)(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)cc(C(C)(C)C)[o+]c2c1,CCO,636.0
945,CC(C)(C)c1cc(/C=C/C=C2\N(CCC[SH](=O)(O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCC(=O)O)c2ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc2[o+]1,CCO,636.0
946,CC(C)(C)c1cc(/C=C/C=C2\N(CCC[SH](=O)(O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCC(=O)O)c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)O)cc2[o+]1,CCO,636.0
947,CC(C)(C)c1cc(/C=C/C=C2\N(CCC[SH](=O)(O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCC(=O)O)c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc2[o+]1,CCO,636.0
948,CC(C)(C)c1cc(/C=C/C=C2\N(CCC[S](=O)([O-])(=O))c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCC(=O)O)c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc2[o+]1,CCO,636.0
949,CC(C)(C)c1cc(/C=C/C=C2\N(CCC[SH](=O)([O-])O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCC(=O)O)c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc2[o+]1,CCO,636.0
14023,O=C1[C@H]2[C@@H]3C[C@@H](c4c3c(-c3ccccc3)c3ccccc3c4-c3ccccc3)[C@H]2C(=O)N1c1cccc2cc3ccccc3cc12,ClC(Cl)Cl,385.0
13997,O=C1OC(=O)c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)c3cccc1c23,ClCCl,465.0
13997,O=C1OC(=O)c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)c3cccc1c23,c1ccccc1,457.0
13997,O=C1OC(=O)c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)c3cccc1c23,C1CCOC1,455.0
13997,O=C1OC(=O)c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)c3cccc1c23,CCCCCC,447.0
3708,CCCCCCCC[N+]=1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2C(C)(C)C1/C=C1\C(=O)C(c2ccc(-c3ccc4c(c3)Sc3cc(OCC(CC)CCCC)ccc3N4CCCCCC)s2)=C1[O-],C1CCOC1,671.0
11580,Cc1ccccc1-c1ncc2ccc3ccccc3n12,ClCCl,325.0
11000,Cc1ccc(-c2ncc3ccc4ccccc4n23)cc1,ClCCl,324.0
13856,O=C(c1ccccc1)c1nn(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1-c1ccccc1,C1CCOC1,341.0
2577,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)s4)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(Br)cc1,ClCCl,503.0
15450,c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cc2c3ccccc3n3c4ccccc4c(c1)c23,C1CCOC1,344.0
12659,N#CC(=Cc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,445.0
9806,COc1ccc2cc(/C=C/C3=CC(c4ccccc4)=[O+][B-](F)(F)O3)ccc2c1,ClCCl,456.0
8722,COc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=Nc2c(-c4cc(OC)c(OC)c(OC)c4)c(-c4cc(OC)c(OC)c(OC)c4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)cc(OC)c1OC,Cc1ccccc1,684.0
8723,COc1cc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)=[N+]3C2=Nc2c(-c4cc(OC)c(OC)c(OC)c4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)n2[B-]3(F)F)cc(OC)c1OC,Cc1ccccc1,675.0
9396,COc1ccc(C2=C(c3ccc(F)cc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccc(F)cc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,653.0
9404,COc1ccc(C2=C(c3ccc(OC)cc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,654.0
9395,COc1ccc(C2=C(c3ccc(C)cc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccc(C)cc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,656.0
8790,COc1cc(OC)cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C3=Nc4c(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)cc(OC)c5)c(-c5ccc(C(C)(C)C)cc5)n4[B-](F)(F)[N+]3=C2c2ccc(C(C)(C)C)cc2)c1,Cc1ccccc1,674.0
9416,COc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccc([N+](=O)[O-])cc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,654.0
9417,COc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccccc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,656.0
9468,COc1ccc(C2=[N+]3C(=Nc4c(-c5cc(OC)c(OC)c(OC)c5)c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3cc(OC)c(OC)c(OC)c3)=C2c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,694.0
9471,COc1ccc(C2=[N+]3C(=Nc4c(-c5cc(OC)c(OC)c(OC)c5Br)c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3cc(OC)c(OC)c(OC)c3Br)=C2c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,706.0
4324,CCCCCCOc1ccc(C2=C(c3cc(OC)cc(OC)c3)C(c3ccc(OC)cc3)=[N+]3C2=Nc2c(-c4ccc(OCCCCCC)cc4)c(-c4cc(OC)cc(OC)c4)c(-c4ccc(OC)cc4)n2[B-]3(F)F)cc1,Cc1ccccc1,683.0
4325,CCCCCCOc1ccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(OC)cc3)=[N+]3C2=Nc2c(-c4ccc(OCCCCCC)cc4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(OC)cc4)n2[B-]3(F)F)cc1,Cc1ccccc1,684.0
9392,COc1ccc(C2=C(c3cc(OC)cc(OC)c3)C(c3ccc(OC)cc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4cc(OC)cc(OC)c4)c(-c4ccc(OC)cc4)n2[B-]3(F)F)cc1,Cc1ccccc1,683.0
9537,COc1ccc(N(c2ccc(/C=C/c3ccc(Nc4ncc(C=C(C#N)C(=O)O)cn4)cc3)cc2)c2ccc(OC)cc2)cc1,Cc1ccccc1,385.0
11247,Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(Nc4ncc(/C=C(\C#N)C(=O)O)cn4)cc3)cc2)cc1,ClCCl,380.0
11248,Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(Nc4ncc(/C=C(\C#N)C(=O)O)cn4)cc3C#N)cc2)cc1,Cc1ccccc1,419.0
3564,CCCCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(Nc4ncc(C=C(C#N)C(=O)O)cn4)cc3)cc2)c2ccc(OCCCCCCCC)cc2)cc1,Cc1ccccc1,388.0
4958,CCCCCCc1ccc(N2c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)cc3Sc3cc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)ccc32)cc1,CN(C)C=O,459.0
6479,CCNc1ccc2c(-c3ccc(C4OCCCO4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
13353,Nc1ccc2c(-c3ccc(C4OCCCO4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
7644,CN(C)c1ccc2c(-c3ccc(C4OCCCO4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
786,CC(C)(C)CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccc3c4c(Oc5ccc(-c6cc(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c6-c6ccccc6)cc5)cc5c6c(cc(Oc7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8-c8ccccc8)cc7)c(c7cccc2c73)c64)C(=O)OC5=O)cc1,ClCCl,606.0
13205,N#Cc1ccn2c(N)c(-c3ccc(Cl)cc3)nc2c1,CS(C)=O,430.0
5780,CCCN(CCC)C(=O)CNc1c(-c2ccc(C)cc2O)nc2cc(C(=O)OC)ccn12,CS(C)=O,390.0
5782,CCCN(CCC)C(=O)CNc1c(-c2ccc(Cl)cc2)nc2cc(C#N)ccn12,CS(C)=O,387.0
5783,CCCN(CCC)C(=O)CNc1c(-c2ccc(Cl)cc2)nc2cc(C(=O)OC)ccn12,CS(C)=O,385.0
8444,COC(=O)c1ccn2cc(-c3ccc(OC)cc3)nc2c1,CS(C)=O,355.0
8415,COC(=O)c1ccn2c(N)c(-c3ccc(OC)cc3)nc2c1,CS(C)=O,426.0
1098,CC(C)(C)c1ccc(C2=[N+]3C(=C(c4ccc(N(c5ccc(C6=C7C=CC(c8ccc(C(C)(C)C)cc8)=[N+]7[B-](F)(F)n7c6ccc7-c6ccc(C(C)(C)C)cc6)cc5)c5ccc(-c6ccc(C(=O)O)cc6)cc5)cc4)c4ccc(-c5ccc(C(C)(C)C)cc5)n4[B-]3(F)F)C=C2)cc1,ClCCl,561.0
4992,CCCCCCc1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)c3nc(CCCCCC)c(CCCCCC)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2nc1CCCCCC,ClCCl,584.0
2375,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2ccccc2-1,C1CCOC1,358.0
2375,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2ccccc2-1,CC#N,356.0
2375,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2ccccc2-1,CC(C)=O,357.0
2375,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2ccccc2-1,CCCCCC,358.0
2375,CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2ccccc2-1,ClC(Cl)Cl,361.0
10914,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(C)c5ccc(CC(C)C)cc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,649.0
10917,Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(C)c5ccccc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,648.0
745,CC(C)(C(=O)c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1)C(=O)c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1,Cc1ccccc1,390.0
5493,CCCCOc1ccc(-c2oc3cc4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3cc5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,ClC(Cl)Cl,610.0
5493,CCCCOc1ccc(-c2oc3cc4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3cc5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,ClCCl,606.0
5493,CCCCOc1ccc(-c2oc3cc4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3cc5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,C1CCOC1,596.0
5493,CCCCOc1ccc(-c2oc3cc4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3cc5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CN(C)C=O,593.0
5493,CCCCOc1ccc(-c2oc3cc4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3cc5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,CS(C)=O,594.0
5493,CCCCOc1ccc(-c2oc3cc4n(c3c2-c2ccc(OCCCC)cc2)[B-](F)(F)[N+]2=Cc3cc5oc(-c6ccc(OCCCC)cc6)c(-c6ccc(OCCCC)cc6)c5n3[B-](F)(F)[N+]2=C4)cc1,Cc1ccccc1,608.0
4341,CCCCCCOc1ccc(N(c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3c5c(c6c(c3-4)C(CCCCCC)(CCCCCC)c3ccccc3-6)C(CCCCCC)(CCCCCC)c3ccccc3-5)cc2)c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4CCCCCC)cc2)cc1,ClCCl,530.0
911,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3ccc(C#Cc4ccc(C(=O)O)cc4)c4ccccc34)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,458.0
5897,CCCn1c(=O)c(/C=C/c2nc3ccc(C)cc3n(CCC)c2=O)nc2ccc(C)cc21,C1COCCO1,434.0
5897,CCCn1c(=O)c(/C=C/c2nc3ccc(C)cc3n(CCC)c2=O)nc2ccc(C)cc21,CC#N,431.0
5897,CCCn1c(=O)c(/C=C/c2nc3ccc(C)cc3n(CCC)c2=O)nc2ccc(C)cc21,ClCCl,434.0
14003,O=C1OC(c2ccccc2)=C/C1=C\c1ccc([N+](=O)[O-])cc1,C1COCCO1,416.0
8363,COC(=O)c1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1,C1COCCO1,401.0
9422,COc1ccc(C2=C/C(=C\c3ccccc3)C(=O)O2)cc1OC,C1COCCO1,406.0
9419,COc1ccc(C2=C/C(=C\c3ccc(C#N)cc3)C(=O)O2)cc1OC,C1COCCO1,428.0
8357,COC(=O)c1ccc(/C=C2\C=C(c3ccc(C#N)cc3)OC2=O)cc1,C1COCCO1,404.0
8359,COC(=O)c1ccc(/C=C2\C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1,C1COCCO1,423.0
14004,O=C1OC(c2ccccc2)=C/C1=C\c1ccccc1,C1COCCO1,442.0
8361,COC(=O)c1ccc(/C=C2\C=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1,C1COCCO1,411.0
13130,N#Cc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1,C1COCCO1,400.0
601,CC(=O)Nc1ccc(C2=C/C(=C\c3ccc(C#N)cc3)C(=O)O2)cc1,C1COCCO1,424.0
602,CC(=O)Nc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1,C1COCCO1,438.0
2714,CCCCC(CC)Cn1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2c2cc3c(cc21)c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1n3CC(CC)CCCC,ClCCl,462.0
14034,O=C1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C(=O)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,Cc1ccccc1,454.0
237,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,C1CCOC1,382.0
237,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,C1COCCO1,382.0
237,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CC#N,379.0
237,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CCO,379.0
237,C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,ClCCl,383.0
1775,CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc21,Cc1ccccc1,362.0
2593,CCCCC(CC)CN1C(=O)c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)sc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2C1=O,C1CCOC1,427.0
15228,c1ccc(COc2cc(C[n+]3ccc(-c4cc[n+](Cc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc4)cc3)cc(OCc3ccccc3)c2)cc1,CC#N,261.0
4420,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c(OCCCCCC)c(OCCCCCC)c3sc(/C=C(\C#N)C(=O)O)cc34)s2)cc1,ClC(Cl)Cl,502.0
1904,CC1(C)c2ccccc2N(c2ccc3nc4c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5c5cc(N6c7ccccc7C(C)(C)c7ccccc76)ccc5c4nc3c2)c2ccccc21,Cc1ccccc1,456.0
1690,CC1(C)CC[N+]2=c3c(cc4c(c31)Oc1cc3c(cc1C=4c1ccccc1C(=O)O)C(c1ccccc1C(=O)O)=c1cc4c5c(c1O3)C(C)(C)CC[N+]=5CCC4)CCC2,ClC(Cl)Cl,611.0
5046,CCCCCCn1c2cc(/C=C/c3ccccc3)ccc2c2ccc(/C=C/c3ccccc3)cc21,ClC(Cl)Cl,390.625
5044,CCCCCCn1c2cc(/C=C(\C#N)c3ccccc3)ccc2c2ccc(/C=C(\C#N)c3ccccc3)cc21,ClC(Cl)Cl,423.7288136
8229,COC(=O)[C@@H]1C(=O)Oc2ccccc2[C@H]1c1c[nH]c2ccccc12,CS(C)=O,284.0
5298,CCCCN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)Oc2ccccc21,CS(C)=O,516.0
4666,CCCCCC[C@H](CCCC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1cc2c3nonc3c3cc(-c4sc(-c5ccc6c(c5)C(CC)(CC)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)cc4C[C@@H](CCCC)CCCCCC)sc3c2s1,C1CCOC1,462.0
14486,O=c1c2ccccc2n2c3ccccc3c(=O)c3cccc1c32,Cc1ccccc1,432.9648895
14185,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,ClCCl,414.0
14185,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,C1CCOC1,407.0
14185,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,CC#N,404.0
14185,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,CN(C)C=O,407.0
14185,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,Cc1ccccc1,412.0
14185,O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,ClC(Cl)Cl,417.0
4920,CCCCCCc1ccc(-c2ccc(N(c3ccc(-c4cc5sc(/C=C(/C#N)C(=O)O)cc5s4)cc3)c3ccc(-c4cc5sc(/C=C(\C#N)C(=O)O)cc5s4)cc3)cc2)s1,CCO,469.0
14199,O=P1(c2ccccc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2-c2cc(N3c4ccccc4Oc4ccccc43)ccc21,Cc1ccccc1,405.0
14199,O=P1(c2ccccc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2-c2cc(N3c4ccccc4Oc4ccccc43)ccc21,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,404.2
6174,CCN(CC)c1ccc2c(ccc3c(-c4ccc5nn[nH]c5c4)c4ccc5cc(N(CC)CC)ccc5c4[o+]c32)c1,O,683.0
13400,Nc1ccc2c(ccc3c(-c4ccc5nn[nH]c5c4)c4ccc5cc(N)ccc5c4[o+]c32)c1,O,612.0
8089,CNc1ccc2nc3cc(Cl)c(Cl)cc3nc2c1,CCO,490.0
8077,CNc1cc2nc3cc(Br)c(Br)cc3nc2cc1NC,CCO,443.0
8078,CNc1cc2nc3cc(Cl)c(Cl)cc3nc2cc1NC,CCO,442.0
8079,CNc1cc2nc3cc(F)c(F)cc3nc2cc1NC,CCO,434.0
13313,Nc1cc2nc3cc(Br)c(Br)cc3nc2cc1N,CCO,442.0
13314,Nc1cc2nc3cc(Cl)c(Cl)cc3nc2cc1N,CCO,442.0
13315,Nc1cc2nc3cc(F)c(F)cc3nc2cc1N,CCO,433.0
1446,CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,CCCCCC,440.0
1446,CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,ClCCl,439.0
1136,CC(C)(C)c1ccc(N2CCCc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)s4)ccc32)cc1,C1CCOC1,454.0
10047,CSc1ccc(/C=C/c2cnc3ccccc3n2)cc1,C1CCOC1,376.0
10047,CSc1ccc(/C=C/c2cnc3ccccc3n2)cc1,CC#N,377.0
10047,CSc1ccc(/C=C/c2cnc3ccccc3n2)cc1,CCCCCCC,373.0
10047,CSc1ccc(/C=C/c2cnc3ccccc3n2)cc1,CS(C)=O,383.0
10047,CSc1ccc(/C=C/c2cnc3ccccc3n2)cc1,ClCCl,381.0
11767,Clc1ccc(/C=C/c2cnc3ccccc3n2)cc1,ClCCl,355.0
36,Brc1ccc(/C=C/c2cnc3ccccc3n2)cc1,ClCCl,369.0
7449,CN(C)c1ccc(/C=C/c2cnc3ccccc3n2)cc1,C1CCOC1,424.0
7449,CN(C)c1ccc(/C=C/c2cnc3ccccc3n2)cc1,CC#N,424.0
7449,CN(C)c1ccc(/C=C/c2cnc3ccccc3n2)cc1,CCCCCCC,418.0
7449,CN(C)c1ccc(/C=C/c2cnc3ccccc3n2)cc1,CS(C)=O,435.0
7449,CN(C)c1ccc(/C=C/c2cnc3ccccc3n2)cc1,ClCCl,427.0
11326,Cc1ccc(N2c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3C3CCCC32)cc1,ClCCl,483.0
11327,Cc1ccc(N2c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,492.0
4849,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc2c(c1)C1CCCC1N2c1ccc(C)cc1,ClC(Cl)Cl,465.0
4785,CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C)cc2)sc1/C=C(/C#N)C(=O)O,ClC(Cl)Cl,480.0
4786,CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C)cc2)sc1C=C(C#N)C(=O)O,ClCCl,528.0
11318,Cc1ccc(N2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3C3CCCC32)cc1,C1CCOC1,462.0
11318,Cc1ccc(N2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3C3CCCC32)cc1,ClCCl,483.0
11319,Cc1ccc(N2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,483.0
11320,Cc1ccc(N2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,492.0
8437,COC(=O)c1ccn2c(NCc3ccccc3)c(/C=C/c3ccc(OC)cc3)nc2c1,CS(C)=O,419.0
15406,c1ccc2c(c1)OB1Oc3ccccc3-c3c1c-2c1c2c3-c3ccccc3OB2Oc2ccccc2-1,ClCCl,405.0
1169,CC(C)(C)c1ccc2c(c1)-c1c3c(c4c5c1-c1cc(C(C)(C)C)ccc1OB5Oc1ccc(C(C)(C)C)cc1-4)-c1cc(C(C)(C)C)ccc1OB3O2,ClCCl,411.0
12103,F[B-]1(F)n2c(cc3ccc4ccccc4c32)C(c2ccc(I)cc2)=C2C=C3CCc4ccccc4C3=[N+]21,ClC(Cl)Cl,634.0
827,CC(C)(C)NC(=O)c1ccc2ccc3cccc4c3c2c1c1c2ccccc2c2ccccc2c41,ClCCl,392.0
12760,N#CC(=Cc1ccc(C2CC3C(=C4SC(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CC4C4C5CCCC4OCCCCCCOC4CCCC(OCCCCCCO5)C43)S2)s1)C(=O)O,ClCCl,551.0
9605,COc1ccc(N(c2ccc(OC)cc2)c2ccc(C3CC4C(=C5SC(c6ccc(C=C(C#N)C(=O)O)s6)CC5C5C6CCCC5OCCCCCCOC5CCCC(OCCCCCCO6)C54)S3)cc2)cc1,ClCCl,556.0
15371,c1ccc2c(c1)-c1cccc3c1B1N2c2ccccc2N1c1ccccc1-3,ClCCl,346.0
15085,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccccc4C4(c6ccccc6Sc6ccccc64)c4ccccc45)cc3)n2)cc1,Cc1ccccc1,394.6327684
4640,CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(-c3ccc(-c4ccncc4)s3)cc2)S1,C1CCOC1,407.0
2282,CCC1(C)C(=O)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)C(CCC(=O)OC)=C4C)c(C)c3/C=C/C(=O)O,CCO,740.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,C1COCCO1,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,CCCCCC,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,CCCCCCC,376.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,CCCCO,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,CCO,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,CN(C)C=O,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,Cc1ccccc1,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,ClC(Cl)(Cl)Cl,376.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,ClC(Cl)Cl,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,ClCCl,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,OCC(O)CO,378.0
8625,COc1c2ccccc2c(-c2ccccc2)c2ccccc12,OCCO,379.0
14941,c1ccc(-c2c3ccccc3cc3ccccc23)cc1,C1CCOC1,386.0
14869,c1cc2cc(-c3ccncc3)c3cccc4c(-c5ccncc5)cc(c1)c2c34,Cc1ccccc1,344.0
3350,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CC(=O)O)C2=O)cc1,C1CCOC1,623.0
3350,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CC(=O)O)C2=O)cc1,CN(C)C=O,600.0
3350,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CC(=O)O)C2=O)cc1,CO,600.0
3350,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CC(=O)O)C2=O)cc1,CS(C)=O,605.0
3350,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CC(=O)O)C2=O)cc1,Cc1ccccc1,619.0
3350,CCCCCCCCN(CCCCCCCC)c1ccc(C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CC(=O)O)C2=O)cc1,c1ccccc1,624.0
6956,CC[N+](CC)=c1ccc2c(C(F)(F)F)c3oc4cc(N)ccc4c3oc-2c1,CCO,640.0
6956,CC[N+](CC)=c1ccc2c(C(F)(F)F)c3oc4cc(N)ccc4c3oc-2c1,ClCCl,658.0
6956,CC[N+](CC)=c1ccc2c(C(F)(F)F)c3oc4cc(N)ccc4c3oc-2c1,O,640.0
6959,CC[N+](CC)=c1ccc2cc3oc4cc(N)ccc4c3oc-2c1,O,583.0
6959,CC[N+](CC)=c1ccc2cc3oc4cc(N)ccc4c3oc-2c1,CCO,588.0
6959,CC[N+](CC)=c1ccc2cc3oc4cc(N)ccc4c3oc-2c1,ClCCl,597.0
2710,CCCCC(CC)Cn1c2cc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)c3cccc4c5cccc6c(-c7ccc(-c8ccc(/C=C(\C#N)C(=O)O)s8)s7)cc1c(c65)c2c34,ClCCl,472.0
1030,CC(C)(C)c1ccc(-c2ccc3c(-c4ccc(C(C)(C)C)c5ccccc45)cc4c5cc(-c6ccc(C(C)(C)C)c7ccccc67)ccc5c(-c5ccc(C(C)(C)C)c6ccccc56)cc4c3c2)c2ccccc12,ClCCl,300.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,C1CCOC1,394.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,C1COCCO1,391.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CCO,393.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CCOC(C)=O,390.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CN(C)C=O,399.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CO,391.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CS(C)=O,402.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,Cc1ccccc1,396.0
12824,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,ClC(Cl)Cl,397.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,C1CCOC1,402.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,C1COCCO1,399.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,CCO,402.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,CCOC(C)=O,399.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,CN(C)C=O,405.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,CO,397.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,CS(C)=O,409.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,Cc1ccccc1,405.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,ClC(Cl)Cl,406.0
12825,N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1,ClCCl,403.0
415,C1=C2B(OB3C(=Cc4ccccc4N3c3ccccc3)C(c3ccccc3)=C2c2ccccc2)N(c2ccccc2)c2ccccc21,ClCCl,419.0
13072,N#Cc1cc2ccccc2[nH]1,C1COCCO1,281.595092
13072,N#Cc1cc2ccccc2[nH]1,CC#N,279.6875
13173,N#Cc1ccc2[nH]ccc2c1,C1COCCO1,274.8466258
13173,N#Cc1ccc2[nH]ccc2c1,CC#N,275.0
13173,N#Cc1ccc2[nH]ccc2c1,O,275.0
13024,N#Cc1c[nH]c2ccccc12,C1COCCO1,277.3006135
13024,N#Cc1c[nH]c2ccccc12,CC#N,276.25
13181,N#Cc1ccc2cc[nH]c2c1,C1COCCO1,284.3558282
13181,N#Cc1ccc2cc[nH]c2c1,CC#N,285.0
13181,N#Cc1ccc2cc[nH]c2c1,O,285.0
8228,COC(=O)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)OC,CC#N,280.0
8228,COC(=O)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)OC,CCOC(C)=O,280.0
8228,COC(=O)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)OC,CO,280.0
13194,N#Cc1cccc2[nH]ccc12,C1COCCO1,304.2944785
13194,N#Cc1cccc2[nH]ccc12,CC#N,302.8125
13194,N#Cc1cccc2[nH]ccc12,O,305.0
13196,N#Cc1cccc2cc[nH]c12,C1COCCO1,307.3619632
13196,N#Cc1cccc2cc[nH]c12,CC#N,309.6875
13196,N#Cc1cccc2cc[nH]c12,O,308.0
12159,Fc1c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c(-c2nnc(-c3ccccc3)o2)c1-n1c2ccccc2c2ccccc21,Cc1ccccc1,345.0
10498,Cc1cc(/C=C/c2ccc(-n3ccnc3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
15358,c1ccc2c(-c3nnc4ccccn34)cccc2c1,ClCCl,295.0
2153,CC1=[N+]2C(=C(c3ccccc3)c3c4c(c(C)n3[B-]2(F)F)C2CCC4CC2)C2=C1C1CCC2CC1,CC#N,526.0
9550,COc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,397.0
6709,CCOC(=O)c1c2c(c3n1CCn1c(C(=O)OCC)c4c(c1-3)-c1ccc3c5c(ccc-4c15)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O)-c1ccc3c4c(ccc-2c14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O,ClCCl,512.0
6709,CCOC(=O)c1c2c(c3n1CCn1c(C(=O)OCC)c4c(c1-3)-c1ccc3c5c(ccc-4c15)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O)-c1ccc3c4c(ccc-2c14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O,CO,512.0
6709,CCOC(=O)c1c2c(c3n1CCn1c(C(=O)OCC)c4c(c1-3)-c1ccc3c5c(ccc-4c15)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O)-c1ccc3c4c(ccc-2c14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O,Cc1ccccc1,512.0
12394,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1)C(=O)O,CN(C)C=O,515.0
6955,CC[N+](CC)=c1ccc2c(C(F)(F)F)c3c(oc-2c1)-c1ccc(N(C)C)cc1CC3,CCO,680.0
6955,CC[N+](CC)=c1ccc2c(C(F)(F)F)c3c(oc-2c1)-c1ccc(N(C)C)cc1CC3,ClCCl,684.0
6955,CC[N+](CC)=c1ccc2c(C(F)(F)F)c3c(oc-2c1)-c1ccc(N(C)C)cc1CC3,O,672.0
6958,CC[N+](CC)=c1ccc2cc3c(oc-2c1)-c1ccc(N(C)C)cc1CC3,CCO,612.0
6958,CC[N+](CC)=c1ccc2cc3c(oc-2c1)-c1ccc(N(C)C)cc1CC3,ClCCl,619.0
6958,CC[N+](CC)=c1ccc2cc3c(oc-2c1)-c1ccc(N(C)C)cc1CC3,O,604.0
8434,COC(=O)c1ccn2c(NC3CCCCC3)c(/C=C/c3ccco3)nc2c1,CS(C)=O,413.0
12331,N#C/C(=C\C=C\c1ccccc1)c1ccc(N2c3ccccc3Cc3ccccc32)cc1,C1CCOC1,348.0
3540,CCCCCCCCOc1ccc(-n2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc3c2cc(-c2ccc(-c4ccc(C=Cc5ccc(-c6ccc(C=C(C#N)C(=O)O)cc6)c6cscc56)s4)cc2)n3-c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,506.0
15122,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(-n5c6ccccc6c6ccccc65)cc4cc23)cc1,C1CCCCC1,419.1114837
15122,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(-n5c6ccccc6c6ccccc65)cc4cc23)cc1,C1CCOC1,414.9377593
15122,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(-n5c6ccccc6c6ccccc65)cc4cc23)cc1,CC#N,411.0152076
15122,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(-n5c6ccccc6c6ccccc65)cc4cc23)cc1,CC(C)=O,412.0313144
15122,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(-n5c6ccccc6c6ccccc65)cc4cc23)cc1,CCCCCl,415.9733777
15122,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(-n5c6ccccc6c6ccccc65)cc4cc23)cc1,CCCCOCCCC,418.0602007
15122,c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(-n5c6ccccc6c6ccccc65)cc4cc23)cc1,CN(C)C=O,414.9377593
14520,O=c1cccc2n1CN1C=C(Br)C=CC1=N2,CO,436.0
13518,O=C(O)/C=C/c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,407.0
12596,N#C/C(=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CC#N,416.0
3729,CCCCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c(c3)Sc3cc(-c5ccc(OCCCC)cc5)ccc3N4CC(CC)CCCC)cc2CCCCCCCC)s1,ClCCl,476.0
3734,CCCCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c(c3)Sc3cc(-c5ccc(OCCCC)cc5)ccc3N4CC(CC)CCC)cc2CCCCCCCC)s1,ClCCl,476.0
2478,CCC1=C(CC)C(C)=[N+]2C1=Cc1c(C)c3cc4c(cc3n1[B-]2(F)F)=[N+]1C(=Cc2c(CC)c(CC)c(C)n2[B-]1(F)F)C=4C,ClC(Cl)Cl,692.0
15483,c1ccc2c3c(ccc2c1)-c1c2ccccc2cc2cccc-3c12,CCCCCCC,449.0
13663,O=C(O)Cn1c(=O)sc(=Cc2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)/c1=c1/s/c(=C2/SC(=S)N(c3ccccc3)C2=O)n(-c2ccccc2)c1=O,ClC(Cl)Cl,571.0
9632,COc1ccc(N2c3ccccc3Sc3cc(C=C(C#N)C(=O)O)ccc32)cc1,ClCCl,476.0
4613,CCCCCCOc1ccc(N2c3ccccc3Sc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,ClCCl,475.0
6936,CCSc1cc2c(cc1/C=C(\C#N)C(=O)O)Sc1ccccc1N2c1ccc(OC)cc1,ClCCl,492.0
6937,CCSc1cc2c(cc1C=C(C#N)C(=O)O)Sc1ccccc1N2c1ccc(OC)cc1,ClCCl,492.0
12310,N#C/C(=C/c1ccc2c(c1)Sc1ccccc1N2c1ccccc1)C(=O)O,CC#N,417.0
13523,O=C(O)/C=C\c1ccc2c(c1)Sc1ccccc1N2c1ccccc1,CC#N,404.0
1178,CC(C)(C)c1ccc2c(c1)Sc1cc(C(C)(C)C)ccc1N2c1ccc(/C=C(\C#N)C(=O)O)cc1,CC#N,403.0
12573,N#C/C(=C\c1ccc(N2c3ccccc3Sc3ccccc32)cc1)C(=O)O,ClCCl,408.0
10527,Cc1cc(/C=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,584.0
4805,CCCCCCc1cc(-c2ccc3c[n+](CC(=O)O)ccc3c2)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClC(Cl)Cl,479.0
5539,CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(-c4cc5c6c7c4cccc7c4cccc7c(-c8ccc(OC)cc8)cc(c6c74)n5C[C@@H](CC)CCCC)cc3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,ClC(Cl)Cl,526.0
2572,CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4cc5c6c7c4cccc7c4cccc7c(-c8ccc(OC)cc8)cc(c6c74)n5CC(CC)CCCC)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,ClC(Cl)Cl,526.0
5465,CCCCOc1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc1Cc1cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc(c1OCCCC)Cc1cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc(c1OCCCC)Cc1cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc(c1OCCCC)C2,ClC(Cl)Cl,447.0
9594,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)cc5)cc4s3)cc2)cc1,ClCCl,425.0
578,CC(=O)C1=C(O)CC2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O,ClC(Cl)Cl,340.0
8486,COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(N3C(=O)CCCC3=O)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,640.0
11844,Cn1c(=O)c2c(nc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O,ClCCl,358.0
11845,Cn1c(=O)c2c(nc(/C=C/c3ccc(F)cc3)n2C)n(C)c1=O,ClCCl,353.0
11846,Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,ClCCl,357.0
11847,Cn1c(=O)c2c(nc(/C=C/c3ccccc3)n2C)n(C)c1=O,ClCCl,354.0
11071,Cc1ccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,ClCCl,355.0
7121,CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O,ClCCl,362.0
647,CC(=O)Oc1ccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,ClCCl,356.0
12340,N#C/C(=C\c1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)s2)c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)s2)s1)C(=O)O,ClCCl,503.0
1880,CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)o3)cc2)c2ccccc21,Cc1ccccc1,360.0
1778,CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc(C#Cc6cc(-c7cccnc7)cc(-c7cccnc7)c6)s5)ccc3N4c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,CN(C)C=O,412.0
12687,N#CC(=Cc1ccc(-c2ccc(C(C#N)=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)o1)C(=O)O,ClC(Cl)Cl,425.0
1376,CC(C)C[Si](C#Cc1c2c(=O)c3ccccc3c2c(C#C[Si](CC(C)C)(CC(C)C)CC(C)C)c2c(=O)c3ccccc3c12)(CC(C)C)CC(C)C,ClC(Cl)Cl,524.0
1389,CC(C)[Si](C#Cc1c2c(=O)c3ccccc3c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2c(=O)c3ccccc3c12)(C(C)C)C(C)C,ClC(Cl)Cl,525.0
7011,CC[Si](C#Cc1c2c(=O)c3ccccc3c2c(C#C[Si](CC)(CC)CC)c2c(=O)c3ccccc3c12)(CC)CC,ClC(Cl)Cl,522.0
10160,C[Si](C)(C)C#Cc1c2c(=O)c3ccccc3c2c(C#C[Si](C)(C)C)c2c(=O)c3ccccc3c12,ClC(Cl)Cl,524.0
879,CC(C)(C)[Si](C)(C)C#Cc1c2c(=O)c3ccccc3c2c(C#C[Si](C)(C)C(C)(C)C)c2c(=O)c3ccccc3c12,ClC(Cl)Cl,526.0
8205,COC(=O)CCC1=CC(C#Cc2ccc(OC)cc2)=[N+]2C1=Cc1c(CCC(=O)OC)cc(C#Cc3ccc(OC)cc3)n1[B-]2(F)F,ClCCl,649.0
4279,CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=C/C4=[N+](CCCCCC)c5ccc(C(=O)O)cc5C4(C)C)ccc2N3CCCCCC)c(OCCCCCC)c1,ClCCl,679.0
5718,CCCCn1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c2ccc3c4cc(-c5ccc(C(F)(F)F)cc5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,301.0
5722,CCCCn1c2ccc(-c3ccc(OC)cc3)cc2c2ccc3c4cc(-c5ccc(OC)cc5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,338.0
5726,CCCCn1c2ccc(-c3cccc(F)c3)cc2c2ccc3c4cc(-c5cccc(F)c5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,318.0
5727,CCCCn1c2ccc(-c3ccccc3)cc2c2ccc3c4cc(-c5ccccc5)ccc4n(CCCC)c3c21,ClC(Cl)Cl,330.0
12830,N#CC(C#N)=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,374.025974
12830,N#CC(C#N)=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,381.4935065
12830,N#CC(C#N)=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCCCC1,367.2077922
12830,N#CC(C#N)=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC(C)=O,370.4545455
12830,N#CC(C#N)=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,374.025974
10737,Cc1cc(C)c(C2=C3C=CC=[N+]3[B-]3(c4cccc5ccccc45)Oc4cc(O)cc5c6ccc(C)cc6c6cc2n3c6c45)c(C)c1,ClC(Cl)Cl,646.0
1974,CC1=CB(c2ccccc2)N2B(c3ccc(C)cc3)C=C(C)c3cccc1c32,ClCCl,387.0
1975,CC1=CB(c2ccccc2)N2B(c3ccc(F)cc3)C=C(C)c3cccc1c32,ClCCl,384.0
1976,CC1=CB(c2ccccc2)N2B(c3ccccc3)C=C(C)c3cccc1c32,ClCCl,384.0
5754,CCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2ccc(C=C(C#N)C(=O)O)cc2)ccc1n3CCCC,CO,536.0
3865,CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(N4c5ccccc5C5C6CCC(C6)C54)cc3)c2n1,ClCCl,575.0
1777,CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc(C#Cc6cc(-c7cccc(C(=O)O)c7)cc(-c7cccc(C(=O)O)c7)c6)s5)ccc3N4c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,CN(C)C=O,415.0
12055,F[B-]1(F)Oc2ccccc2-c2n(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3)c(-c3ccccc3)[n+]21,C1CCOC1,327.0
14880,c1cc2ccc1-c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2s1,C1CCOC1,354.0
12401,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)C4C6CCC(C6)C54)s3)s2)s1)C(=O)O,ClCCl,519.0
4389,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc(-c4cc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)sc4-c4ccc(/C=C(/C#N)C(=O)O)s4)c(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,483.0
4390,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc(-c4cc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)sc4-c4ccc(/C=C(\C#N)C(=O)O)s4)c(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,483.0
569,CC(/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2)=C\c1ccccc1,CS(C)=O,564.0
2089,CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/C=C/c3ccccc3)n1[B-]2(F)F,CO,577.0
10436,Cc1cc(/C=C/C=C/c2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,572.0
9965,COc1ccccc1/C=C/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,560.0
8672,COc1cc(/C=C/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1OC(C)=O,CS(C)=O,576.0
7196,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,CCOC(C)=O,402.0
7196,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,CN(C)C=O,413.0
7196,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,Cc1ccccc1,405.0
7196,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,ClCCl,409.0
7197,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,C1CCOC1,397.0
7197,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,CCOC(C)=O,395.0
7197,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,CN(C)C=O,405.0
7197,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,Cc1ccccc1,397.0
7197,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,ClCCl,405.0
7196,CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,C1CCOC1,406.0
15352,c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(nc2c1)-c1cc2c(cc1CC3)-c1nc3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c1CC2,ClC(Cl)Cl,377.0
1565,CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3\N(CCC(=O)O)c4ccc5ccccc5c4C3(C)C)CCC2)=[N+](CCC(=O)[O-])c2ccc3ccccc3c21,CCO,830.0
1559,CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc5ccccc5c4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21,CO,820.0
2682,CCCCC(CC)Cc1cc(-c2sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3NC3=C(N4)c4cccc5cccc3c45)cc2CC(CC)CCCC)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,612.0
1007,CC(C)(C)c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc(C(C)(C)C)cc5)c(C(=O)N5CCCCC5)s4)s3)sc2C(=O)N2CCCCC2)cc1,ClCCl,378.0
504,C=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(OC)cc12,O,347.0
64,C#CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12,C1CCOC1,332.0
64,C#CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12,CC#N,332.0
64,C#CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12,CCCC#N,332.0
64,C#CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12,Cc1ccccc1,332.0
64,C#CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12,ClCCl,333.0
533,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,CO,334.0
5031,CCCCCCn1c2c(c3cc(C#Cc4ccc(/C=C(/C#N)C(=O)O)cc4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,419.0
4847,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc2c(c1)C1=Cc3c4cc(-c5sc(/C=C(/C#N)C(=O)O)cc5CCCCCC)ccc4c(-c4ccccc4OC)n3[B-](F)(F)[N+]1=C2c1ccccc1OC,C1CCOC1,660.0
4848,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc2c(c1)C1=Cc3c4cc(-c5sc(/C=C(\C#N)C(=O)O)cc5CCCCCC)ccc4c(-c4ccccc4OC)n3[B-](F)(F)[N+]1=C2c1ccccc1OC,C1CCOC1,660.0
11915,Cn1nc(-c2ccccc2)c2n[nH]nc2c1=O,Cc1ccccc1,299.0
11915,Cn1nc(-c2ccccc2)c2n[nH]nc2c1=O,CC#N,299.0
11915,Cn1nc(-c2ccccc2)c2n[nH]nc2c1=O,CCO,296.0
12539,N#C/C(=C\c1ccc(C=C2C=C(c3ccc(Cl)cc3)OC(c3ccc(Cl)cc3)=C2)cc1)C(=O)O,ClCCl,488.0
12540,N#C/C(=C\c1ccc(C=C2C=C(c3ccc(F)cc3)OC(c3ccc(F)cc3)=C2)cc1)C(=O)O,ClCCl,491.0
12541,N#C/C(=C\c1ccc(C=C2C=C(c3ccc(I)cc3)OC(c3ccc(I)cc3)=C2)cc1)C(=O)O,ClCCl,487.0
12542,N#C/C(=C\c1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1)C(=O)O,ClCCl,497.0
12152,F[Si](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,401.0
12152,F[Si](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,ClC(Cl)Cl,402.0
8595,CO[Si](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,ClC(Cl)Cl,401.0
14601,O[Si](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,ClC(Cl)Cl,402.0
15367,c1ccc2c([SiH](c3c4ccccc4cc4ccccc34)c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1,ClC(Cl)Cl,401.0
536,C=C[Si](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,ClC(Cl)Cl,404.0
10159,C[Si](C)(C)C#C[Si](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,ClC(Cl)Cl,404.0
1897,CC1(C)c2ccccc2N(c2ccc3c(c2)c(=O)c2cccc4c(=O)c5cc(N6c7ccccc7C(C)(C)c7ccccc76)ccc5n3c24)c2ccccc21,Cc1ccccc1,432.9648895
13163,N#Cc1ccc(N/N=C/c2ccc3ccccc3c2O)cc1,CC#N,380.0
13163,N#Cc1ccc(N/N=C/c2ccc3ccccc3c2O)cc1,CCCCCC,384.0
13163,N#Cc1ccc(N/N=C/c2ccc3ccccc3c2O)cc1,CO,380.0
13163,N#Cc1ccc(N/N=C/c2ccc3ccccc3c2O)cc1,CS(C)=O,390.0
13163,N#Cc1ccc(N/N=C/c2ccc3ccccc3c2O)cc1,ClC(Cl)Cl,384.0
8602,COc1c(/C=N/Nc2ccc(C#N)cc2)ccc2ccccc12,CC#N,380.0
8602,COc1c(/C=N/Nc2ccc(C#N)cc2)ccc2ccccc12,CCCCCC,387.0
8602,COc1c(/C=N/Nc2ccc(C#N)cc2)ccc2ccccc12,CO,382.0
8602,COc1c(/C=N/Nc2ccc(C#N)cc2)ccc2ccccc12,CS(C)=O,392.0
8602,COc1c(/C=N/Nc2ccc(C#N)cc2)ccc2ccccc12,ClC(Cl)Cl,385.0
7240,CCn1c2ccccc2sc2c(C#N)c3oc4ccccc4oc3c(C#N)c21,ClC(Cl)Cl,460.0
5643,CCCCn1c(-c2ccc(-c3cccc4c3sc3ccccc34)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,359.0
284,C(=C/c1nc2ccccc2o1)\c1ccc(Cn2cc(-c3ccc(N(c4ccc(-c5cn(Cc6ccc(/C=C/c7nc8ccccc8o7)cc6)nn5)cc4)c4ccc(-c5cn(Cc6ccc(/C=C/c7nc8ccccc8o7)cc6)nn5)cc4)cc3)nn2)cc1,CN(C)C=O,328.0
4574,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-n3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc6c(c5)C5CCCC5N6c5ccc6c(c5)C(CCC)(CCC)c5c7c(c8c(c5-6)C(CCC)(CCC)c5ccccc5-8)C(CCC)(CCC)c5ccccc5-7)cc43)cc2)cc1,ClCCl,553.0
14889,c1cc2ccc3cc(-c4ccncc4)cc4ccc(c1)c2c34,Cc1ccccc1,338.0
11680,Cc1nc2c(ccc3ccccc32)oc1=O,c1ccccc1,364.0
9833,COc1ccc2ccc3oc(=O)c(C)nc3c2c1,c1ccccc1,368.0
11678,Cc1nc2c(ccc3ccc(N(C)C)cc32)oc1=O,c1ccccc1,426.0
11679,Cc1nc2c(ccc3ccc(O)cc32)oc1=O,c1ccccc1,370.0
1798,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(C=C(C#N)C(=O)O)cc4[Si]5(C)C)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,504.0
10100,C[C@]12C(=O)NC(=O)N([C@H]3CC(O)[C@@H](CO)O3)[C@H]1[C@H]1Oc3cc4oc(=O)ccc4cc3[C@H]12,CC(C)O,327.0
10100,C[C@]12C(=O)NC(=O)N([C@H]3CC(O)[C@@H](CO)O3)[C@H]1[C@H]1Oc3cc4oc(=O)ccc4cc3[C@H]12,CCO,327.0
10100,C[C@]12C(=O)NC(=O)N([C@H]3CC(O)[C@@H](CO)O3)[C@H]1[C@H]1Oc3cc4oc(=O)ccc4cc3[C@H]12,CCOCC,325.0
10100,C[C@]12C(=O)NC(=O)N([C@H]3CC(O)[C@@H](CO)O3)[C@H]1[C@H]1Oc3cc4oc(=O)ccc4cc3[C@H]12,CO,328.0
10100,C[C@]12C(=O)NC(=O)N([C@H]3CC(O)[C@@H](CO)O3)[C@H]1[C@H]1Oc3cc4oc(=O)ccc4cc3[C@H]12,O,329.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,C1CCOC1,277.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,CC#N,278.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,CCO,277.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,CCOC(C)=O,278.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,CCOCC,276.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,CO,275.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,Cc1ccccc1,275.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,ClC(Cl)Cl,276.0
15494,c1ccc2cc(-n3cnc4ccccc43)ccc2c1,C1CCCCC1,275.0
7109,CCn1c(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1,CCOC(C)=O,325.0
10418,Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1N1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21,Cc1ccccc1,394.1941075
10810,Cc1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1,Cc1ccccc1,382.8856153
15083,c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1,Cc1ccccc1,399.0467938
469,C1=Cc2nc1c(-c1cncs1)c1ccc([nH]1)c(-c1cncs1)c1nc(c(-c3cncs3)c3ccc([nH]3)c2-c2cncs2)C=C1,CN(C)C=O,662.0
5491,CCCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2N3CCCC)c(OCCCC)c1,ClCCl,457.0
13876,O=C1C(/C=C2/Sc3ccccc3N2CCCCS(=O)(=O)[O-])=C([O-])/C1=C/c1sc2ccccc2[n+]1CCCCS(=O)(=O)[O-],CO,669.0
6347,CCN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CC)C2=O)Sc2ccccc21,CO,649.0
6347,CCN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CC)C2=O)Sc2ccccc21,ClC(Cl)Cl,669.0
6347,CCN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CC)C2=O)Sc2ccccc21,ClCCl,670.0
13593,O=C(O)CN1/C(=C/C2=C([O-])/C(=C/c3sc4ccccc4[n+]3CC(=O)O)C2=O)Sc2ccccc21,CO,660.0
14090,O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1,CC#N,337.0
14090,O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1,CCCCCCCCCCCCCCCC,325.0
14090,O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1,CO,345.0
14090,O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1,ClC(Cl)Cl,336.0
14090,O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1,c1ccccc1,334.0
5641,CCCCn1c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,386.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,Cc1ccccc1,434.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,ClC(Cl)Cl,433.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,ClCCl,431.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,C1CCCCC1,431.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,C1CCOC1,432.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,C1COCCO1,432.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,CC#N,428.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,CC(C)=O,429.0
2808,CCCCC1=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n(c26)P1(=O)c1ccccc1)c3c45,CO,428.0
15496,c1ccc2cc3c(cc2c1)-c1cccc2cc4ccccc4c-3c12,CCCCCCC,469.0
161,C(#Cc1cccs1)c1ncc(-c2ccccc2)o1,ClCCl,325.0
7668,CN(C)c1ccc2c(-c3ccccc3)c3ccc(=[N+](C)C)cc-3sc2c1,CO,571.0
7792,CN(CCCC(=O)[O-])C(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2sc2cc(N(C)C)ccc12,O,579.0
13847,O=C(c1ccccc1)c1cc2ccc1CCc1ccc(c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c1)CC2,Cc1ccccc1,312.0
4508,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4sc(-c5ccc(C=C(C#N)C(=O)O)s5)c5nc(-c6ccc(OCCCCCC)c(OCCCCCC)c6)c(-c6ccc(OCCCCCC)c(OCCCCCC)c6)nc45)s3)cc2)cc1,C1CCOC1,642.0
4290,CCCCCCOc1ccc(-c2nc3c(-c4ccc(C=C(C#N)C(=O)O)s4)sc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c3nc2-c2ccc(OCCCCCC)c(OCCCCCC)c2)cc1OCCCCCC,C1CCOC1,633.0
14218,O=S(=O)([O-])CCCOc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(OCc6cn([C@H]7[C@H](O)[C@H](O)[C@@H](CO)O[C@H]7O)nn6)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,O,688.0
4572,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc4c(sc5c6sc(-c7sc(C=C(C#N)C(=O)O)cc7CCCCCC)cc6n(-c6ccc(OCCCCCC)cc6)c45)c3CCCCCC)cc2)cc1,ClCCl,511.0
11153,Cc1ccc(C2=C3C=CC(n4c5ccccc5c5ccccc54)=[N+]3[B-](F)(F)n3c2ccc3-n2c3ccccc3c3ccccc32)cc1,ClCCl,564.0
4972,CCCCCCc1ccsc1-c1ccc2c(c1)C1=[N+]3C2=Cc2c4ccc(-c5sccc5CCCCCC)cc4c4n2[B-]3(Oc2ccccc21)Oc1ccccc1-4,C1CCOC1,733.0
6387,CCN1CCCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3)CCC[N+]=2CC,CCO,626.0
3531,CCCCCCCCOc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)cc4c5cc(-c6ccc(OCCCCCCCC)cc6)ccc5n-3c24)cc1,ClC(Cl)Cl,447.0
3825,CCCCCCCCn1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2c2cc(-c3ccc(C(C)(C)C)cc3)ccc21,ClC(Cl)Cl,456.0
3826,CCCCCCCCn1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2c2cc(-c3ccc(OC)cc3)ccc21,ClC(Cl)Cl,457.0
3827,CCCCCCCCn1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2c2cc(-c3ccccc3)ccc21,ClC(Cl)Cl,454.0
3824,CCCCCCCCn1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2c2cc(-c3c(C)cc(C)cc3C)ccc21,ClC(Cl)Cl,453.0
5595,CCCCc1cc2cccc[n+]2[b-]2c(-c3cccc4[b-]3[n+]3ccccc3cc4CCCC)cccc21,C1CCCCC1,446.0
6162,CCN(CC)c1ccc2c(c1)oc(=O)c1c(C)nc3c(c(-c4ccccc4)nn3-c3ccccc3)c12,ClCCl,410.0
15235,c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,CC#N,260.0
958,CC(C)(C)c1cc(C[n+]2ccc(-c3cc[n+](Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)cc2)cc(C(C)(C)C)c1,CC#N,259.0
6470,CCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(-c3ccccc3C(=O)[O-])c2cc1C,O,521.0
6471,CCNc1cc2oc3c/c(=[NH+]/CC)ccc-3c(-c3ccccc3C(=O)[O-])c2cc1C,O,539.0
6472,CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,CC#N,524.0
6472,CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,CCO,527.0
6472,CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,CN(C)C=O,534.0
6472,CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,CO,530.0
6472,CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,O,525.0
7791,CN(CCCC(=O)[O-])C(=O)c1ccccc1-c1c2cc/c(=[NH+]\CC(F)(F)F)c(S(=O)(=O)O)c-2oc2c(S(=O)(=O)O)c(NCC(F)(F)F)ccc12,O,511.0
8084,CNc1ccc2c(-c3ccccc3C(=O)[O-])c3cc/c(=[NH+]\C)cc-3oc2c1,O,530.0
2331,CCC1(CC)c2cc(/C=C/c3ccc(C=C(C#N)C(=O)O)o3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,459.0
2655,CCCCC(CC)COc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6cnc(-c7sc(/C=C(\C#N)C(=O)O)c8c7OCCO8)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5C5CCCC54)cc3)c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)cc2)c(OCC(CC)CCCC)c1,ClCCl,561.0
1415,CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4ccccc43)nc12)(C(C)C)C(C)C,CCCCCC,544.0
8112,COC(=O)/C(C#N)=c1\s/c(=c2/s/c(=C(/C#N)C(=O)OC)c3cc(-c4ccc(C(F)(F)F)cc4)sc23)c2sc(-c3ccc(C(F)(F)F)cc3)cc12,Cc1ccccc1,596.0
8113,COC(=O)/C(C#N)=c1\s/c(=c2/s/c(=C(/C#N)C(=O)OC)c3cc(-c4ccc(C)cc4)sc23)c2sc(-c3ccc(C)cc3)cc12,Cc1ccccc1,612.0
8114,COC(=O)/C(C#N)=c1\s/c(=c2/s/c(=C(/C#N)C(=O)OC)c3cc(-c4ccc(F)cc4)sc23)c2sc(-c3ccc(F)cc3)cc12,Cc1ccccc1,602.0
8115,COC(=O)/C(C#N)=c1\s/c(=c2/s/c(=C(/C#N)C(=O)OC)c3cc(-c4ccc(OC)cc4)sc23)c2sc(-c3ccc(OC)cc3)cc12,Cc1ccccc1,628.0
8117,COC(=O)/C(C#N)=c1\s/c(=c2/s/c(=C(/C#N)C(=O)OC)c3cc(-c4ccccc4)sc23)c2sc(-c3ccccc3)cc12,Cc1ccccc1,605.0
6755,CCOC(=O)c1cc(C(=O)OCC)c2cccc(OCc3ccccc3)c2n1,CCO,366.0
3318,CCCCCCCCCCc1csc(-c2nc(CCCCCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)n1,C1CCOC1,413.0
15041,c1ccc(-c2nc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1,Cc1ccccc1,373.0
10217,C[Si]1(C)O[Si](C)(C)c2cc3c(-c4ccc(F)cc4)c4ccccc4nc3cc21,ClCCl,368.0
10218,C[Si]1(C)O[Si](C)(C)c2cc3c(-c4ccccc4)c4cc(Cl)ccc4nc3cc21,ClCCl,376.0
10219,C[Si]1(C)O[Si](C)(C)c2cc3c(-c4ccccc4)c4cc([N+](=O)[O-])ccc4nc3cc21,ClCCl,376.0
10220,C[Si]1(C)O[Si](C)(C)c2cc3c(-c4ccccc4)c4ccccc4nc3cc21,ClCCl,368.0
10221,C[Si]1(C)O[Si](C)(C)c2cc3c(-c4ccccc4F)c4cc(Cl)ccc4nc3cc21,ClCCl,380.0
11496,Cc1ccc2nc3cc4c(cc3c(-c3ccccc3)c2c1)[Si](C)(C)O[Si]4(C)C,ClCCl,370.0
13619,O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)c2ccccc2n3-c2ccccc2)SC1=S,CC#N,437.0
12576,N#C/C(=C\c1ccc(O)c(O)c1)c1cccs1,CCO,372.0
6018,CCN(CC)c1ccc(C=C(C#N)c2ccc(C=C(C#N)C(=O)O)s2)cc1,C1CCOC1,505.0
6018,CCN(CC)c1ccc(C=C(C#N)c2ccc(C=C(C#N)C(=O)O)s2)cc1,Cc1ccccc1,516.0
7908,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(/C=C/c2ccc(C=C(C#N)C(=O)O)s2)cc1,C1CCOC1,491.0
7908,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(/C=C/c2ccc(C=C(C#N)C(=O)O)s2)cc1,ClCCl,491.0
7909,CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(/C=C\c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,C1CCOC1,491.0
2619,CCCCC(CC)CN1c2ccccc2Oc2cc(-c3ccc(/C=C/c4cc(/C=C(\C#N)C(=O)O)sc4-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)s3)ccc21,ClC(Cl)Cl,439.0
3860,CCCCCCCCn1cc(-n2c(-c3cc(-c4nc5ccc(C)cc5n4-c4cn(CCCCCCCC)nn4)cc(-c4nc5ccc(C)cc5n4-c4cn(CCCCCCCC)nn4)c3)nc3ccc(C)cc32)nn1,ClCCl,309.5
15382,c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cnccc21,CC1CCCO1,305.0
13858,O=C(c1ccccc1)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,365.0
13860,O=C(c1ccccc1F)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,369.0
10184,C[Si](C)(C)c1ccc(-c2nn(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2C(=O)c2ccccc2)cc1,C1CCOC1,369.0
13865,O=C(c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1)c1c(F)c(F)c(F)c(F)c1F,C1CCOC1,368.0
13866,O=C(c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1)c1c(F)cccc1F,C1CCOC1,370.0
13828,O=C(c1ccc(Br)cc1)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,365.0
13832,O=C(c1ccc(Cl)cc1)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,357.0
13833,O=C(c1ccc(F)cc1)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,365.0
3495,CCCCCCCCOc1cc2c(cc1OCCCCCCCC)c1cc(-c3sc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c4c3OCCO4)sc1c1sc(C=C(C#N)C(=O)O)cc21,C1CCOC1,495.0
236,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4nsnc34)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,527.0
236,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4nsnc34)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,527.0
236,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4nsnc34)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,529.0
236,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4nsnc34)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCOC(C)=O,518.0
236,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4nsnc34)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,528.0
236,C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(/C=C/c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4nsnc34)cc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,528.0
9882,COc1cccc(-c2ccc(-c3cccc(OC)c3)c3[nH]c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)nc23)c1,ClC(Cl)Cl,360.0
9882,COc1cccc(-c2ccc(-c3cccc(OC)c3)c3[nH]c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)nc23)c1,ClCCl,300.0
7758,CN(C)c1cccc(-c2ccc(-c3cccc(N(C)C)c3)c3[nH]c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)nc23)c1,ClC(Cl)Cl,274.0
7758,CN(C)c1cccc(-c2ccc(-c3cccc(N(C)C)c3)c3[nH]c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)nc23)c1,ClCCl,235.0
4951,CCCCCCc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N(c3cccc(CCCCCC)c3)c3cccc(CCCCCC)c3)=C3/C=CC(=N3)/C=4C#Cc3ccc(C(=O)O)cc3)/C(C#Cc3ccc(N(c4ccc(OC)cc4)c4cccc(OC)c4)cc3)=C3/C=CC2=N3)c2ccc(CCCCCC)cc2)cc1,C1CCOC1,707.0
2724,CCCCC(CC)Cn1c2cc(C#N)ccc2c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,ClCCl,410.0
5769,CCCCn1c2ccccc2c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc21,ClCCl,404.0
2272,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5ccccc5)n4[B-](F)(F)[n+]4c3n(c3cc(C(C)(C)C)ccc34)[B-](F)(F)[N+]2=C1c1ccccc1,C1CCOC1,702.0
2272,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5ccccc5)n4[B-](F)(F)[n+]4c3n(c3cc(C(C)(C)C)ccc34)[B-](F)(F)[N+]2=C1c1ccccc1,CC#N,694.0
2272,CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5ccccc5)n4[B-](F)(F)[n+]4c3n(c3cc(C(C)(C)C)ccc34)[B-](F)(F)[N+]2=C1c1ccccc1,ClCCl,703.0
8837,COc1cc2c(cc1-c1ccccc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccccc2)cc1C4)C(=O)N(CCC(C)C)C3=O,ClCCl,411.0
8837,COc1cc2c(cc1-c1ccccc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccccc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,405.0
8837,COc1cc2c(cc1-c1ccccc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccccc2)cc1C4)C(=O)N(CCC(C)C)C3=O,CC#N,406.0
8837,COc1cc2c(cc1-c1ccccc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccccc2)cc1C4)C(=O)N(CCC(C)C)C3=O,CC(C)=O,407.0
8995,COc1ccc(-c2cc3c(cc2OC)-c2c(c4c(c5c2-c2cc(OC)c(-c6ccc(OC)cc6)cc2C5)C(=O)N(CCC(C)C)C4=O)C3)cc1,C1CCOC1,417.0
8828,COc1cc2c(cc1-c1ccc(C#N)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(C#N)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,409.0
8829,COc1cc2c(cc1-c1ccc(C(F)(F)F)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(C(F)(F)F)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,404.0
8830,COc1cc2c(cc1-c1ccc(C)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(C)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,411.0
8831,COc1cc2c(cc1-c1ccc(C=O)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(C=O)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,414.0
8832,COc1cc2c(cc1-c1ccc(Cl)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(Cl)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,406.0
8833,COc1cc2c(cc1-c1ccc(F)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(F)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,405.0
8834,COc1cc2c(cc1-c1ccc(N(C)C)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,440.0
8836,COc1cc2c(cc1-c1ccc([N+](=O)[O-])cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc([N+](=O)[O-])cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,409.0
8837,COc1cc2c(cc1-c1ccccc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccccc2)cc1C4)C(=O)N(CCC(C)C)C3=O,CCOC(C)=O,405.0
8837,COc1cc2c(cc1-c1ccccc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccccc2)cc1C4)C(=O)N(CCC(C)C)C3=O,CS(C)=O,413.0
8837,COc1cc2c(cc1-c1ccccc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccccc2)cc1C4)C(=O)N(CCC(C)C)C3=O,Cc1ccccc1,405.0
8837,COc1cc2c(cc1-c1ccccc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccccc2)cc1C4)C(=O)N(CCC(C)C)C3=O,ClC(Cl)Cl,414.0
13700,O=C(O)c1ccc(-c2ccc(C#C[Ru]34(C#Cc5ccc(-n6c7ccccc7c7ccccc76)cc5)([P](c5ccccc5)(c5ccccc5)CC[P]3(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)CC[P+]4(c3ccccc3)c3ccccc3)c3nsnc23)cc1,ClCCl,545.0
207,C(=C/c1cc(-c2ccccc2)c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccccc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,415.0
10938,Cc1ccc(-c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C)cc3)cc2/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,410.0
4706,CCCCCCc1cc(-c2cc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc1/C=C(/C#N)C(=O)O,ClC(Cl)Cl,490.0
4707,CCCCCCc1cc(-c2cc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,490.0
4707,CCCCCCc1cc(-c2cc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc1/C=C(\C#N)C(=O)O,ClCCl,449.0
11268,Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,C1CCOC1,479.0
4840,CCCCCCc1cc(-c2sc(/C=C(\C#N)C(=O)O)cc2CCCCCC)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,475.0
4481,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,516.0
10431,Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C,ClCCl,462.0
4485,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,C1CCOC1,486.0
4485,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,CCO,458.0
4485,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,CN(C)C=O,520.0
5177,CCCCC[C@H](CC)COc1ccc(N(c2ccc(OC[C@@H](CC)CCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,478.0
4485,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,516.0
4853,CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1CCCCCC,ClCCl,446.0
12271,N#C/C(=C/c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,C1CCOC1,448.0
12271,N#C/C(=C/c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,ClC(Cl)Cl,455.0
9572,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,C1CCOC1,485.0
4872,CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1CCCCCC,ClCCl,433.0
3187,CCCCCCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,CCO,460.0
4764,CCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClCCl,492.0
12905,N#CCC(=O)c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1,CN(C)C=O,412.0
12430,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,CCO,438.0
12430,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,CN(C)C=O,467.0
12430,N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,ClC(Cl)Cl,460.0
4545,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4cc(OCCCCC)c(/C=C(/C#N)C(=O)O)s4)cc3CCCCCC)cc2)cc1,ClC(Cl)Cl,495.0
4546,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4cc(OCCCCC)c(/C=C(\C#N)C(=O)O)s4)cc3CCCCCC)cc2)cc1,ClC(Cl)Cl,495.0
3242,CCCCCCCCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClCCl,493.0
4813,CCCCCCc1cc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,ClCCl,498.0
4814,CCCCCCc1cc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2CCCCCC)sc1C=C(C#N)C(=O)O,CCO,497.0
12666,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,C1CCOC1,472.0
12666,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,ClC(Cl)Cl,460.0
12666,N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,ClCCl,405.0
11249,Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3sc(-c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)c4c3OCCO4)cc2)cc1,CN(C)C=O,478.0
5843,CCCOc1cc2c(C(C)(C)C)c(c1)Cc1cc(OCCCCC(=O)OCc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5nsnc45)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)Cc1cc(OCCC)cc(c1C(C)(C)C)Cc1cc(OCCCCC(=O)OCc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5nsnc45)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)C2,C1CCOC1,464.0
9768,COc1ccc2c3c(c4ccc(OC)cc4c2c1)C(C)(C)c1cc(-c2ccccc2)ccc1-3,C1CCCCC1,389.0
15470,c1ccc2c(c1)nc1c3ccccc3c3c4ccccc4sc3n21,CC#N,325.0
9975,COc1ccccc1C1=C2C=CC(=[N+]3CCCC3)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,706.0
9923,COc1cccc(OC)c1C1=C2C=CC(=[N+]3CCCC3)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,706.0
7704,CN(C)c1ccc2c(c1)P(=O)(c1ccccc1)C1=CC(=[N+]3CCCC3)C=CC1=C2c1ccccc1C(F)(F)F,O,713.0
7085,CCc1ccccc1C1=C2C=CC(=[N+]3CCCC3)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,703.0
11594,Cc1ccccc1C1=C2C=CC(=[N+]3CCCC3)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,703.0
14827,c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c%12c%13c%14c%15c%16c%17c%14c%14c%18c%13c%11c1c1c5c%10c5c(c%14c%10c%17c%11c%13c%16c%14c%16c%15c%12c%12c%16c(c2c7c%126)c2c8c3c(c%13c%142)c2c9c4c5c%10c%112)c%181,CC1CCCCC1,470.0
12313,N#C/C(=C/c1ccc2ccc3cccc4ccc1c2c34)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)s1,CN(C)C=O,468.0
9813,COc1ccc2cc(/C=C/c3ccnc4ccccc34)ccc2c1,ClC(Cl)Cl,354.0
9813,COc1ccc2cc(/C=C/c3ccnc4ccccc34)ccc2c1,ClCCl,354.0
2182,CC1CC(C)(C)N(C)c2ccc(/C=C/c3cc[n+](CC(=O)O)cc3)cc21,ClCCl,503.0
2943,CCCCCCC1CC(C)(CCCCCC)N(C)c2ccc(/C=C/c3cc[n+](CC(=O)O)cc3)cc21,ClCCl,504.0
8845,COc1cc2c(cc1/C=C/c1cc[n+](CC(=O)O)cc1)C(C)CC(C)(C)N2C,ClCCl,514.0
2939,CCCCCCC1CC(C)(CCCCCC)N(C)c2cc(OC)c(/C=C/c3cc[n+](CC(=O)O)cc3)cc21,ClCCl,521.0
15538,c1cncc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1,C1CCCCC1,308.0
463,C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1cc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)N=C1,ClCCl,726.0
89,C#Cc1ccc(-c2c3nc(c(-c4ccc(C#C)cc4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccc2[nH]5)C=N4)C=C3)cc1,ClCCl,727.0
890,CC(C)(C)c1cc(-c2c3cc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4ccc(Br)cc4)c4nc(c(-c5ccc(Br)cc5)c5ccc2[nH]5)C=C4)N=C3)cc(C(C)(C)C)c1,ClCCl,726.0
891,CC(C)(C)c1cc(-c2c3cc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4ccc([N+](=O)[O-])cc4)c4nc(c(-c5ccc([N+](=O)[O-])cc5)c5ccc2[nH]5)C=C4)N=C3)cc(C(C)(C)C)c1,ClCCl,726.0
12107,F[B-]1(F)n2c(ccc2-c2ccccc2)C(C(F)(F)F)=C2C=CC(c3ccccc3)=[N+]21,CCCCCC,592.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,C1COCCO1,678.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,CC#N,674.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,CCCCCC,665.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,CCCCO,679.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,CCCCOCCCC,675.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,CCO,678.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,CCOC(C)=O,677.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,CS(C)=O,697.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,Cc1ccccc1,683.0
7337,CN(C)c1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4ccccc4)C=CC2=C3C(F)(F)F)cc1,ClC(Cl)(Cl)Cl,676.0
1967,CC1=C2C=CC(c3ccccc3)=[N+]2[B-](F)(F)n2c1ccc2-c1ccccc1,ClCCl,544.0
13492,O=C(Cc1ccc2ccc3cccc4ccc1c2c34)OC1C(=O)C=CC1=O,CO,340.0
2674,CCCCC(CC)COc1ccc2nc(-c3ccc(-c4cccs4)s3)sc2c1,ClCCl,382.0
12360,N#C/C(=C\c1cc2sc(-c3ccc(-c4ccc(N(c5ccc6c(c5)OCCO6)c5ccc6c(c5)OCCO6)cc4)s3)cc2s1)C(=O)O,ClCCl,499.0
4761,CCCCCCc1cc(-c2ccc(N(c3ccc4c(c3)OCCO4)c3ccc4c(c3)OCCO4)cc2)sc1-c1cc2sc(/C=C(\C#N)C(=O)O)cc2s1,ClCCl,501.0
4435,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4sc(-c5cc6sc(C=C(C#N)C(=O)O)cc6s5)cc4s3)cc2)cc1,ClC(Cl)Cl,524.0
12358,N#C/C(=C\c1cc2sc(-c3cc4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4s3)cc2s1)C(=O)O,ClCCl,497.0
9581,COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4sc(-c5ccc(C(C#N)C(=O)O)s5)c5c4OCC4(COc6c(-c7ccc(-c8ccc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)cc8)s7)sc(-c7ccc(C(C#N)C(=O)O)s7)c6OC4)CO5)s3)cc2)cc1,CS(C)=O,482.0
14555,O=c1oc2ccccc2cc1-c1cccc(-c2cc3ccccc3oc2=O)c1,ClC(Cl)Cl,330.0
8777,COc1cc(OC)c2cc(-c3cccc(-c4cc5c(OC)cc(OC)cc5oc4=O)c3)c(=O)oc2c1,ClC(Cl)Cl,352.0
9799,COc1ccc2cc(-c3cccc(-c4cc5ccc(OC)cc5oc4=O)c3)c(=O)oc2c1,ClC(Cl)Cl,344.0
14864,c1cc2c3c(cccc3c1)NC(c1ccc3ccc4cccc5ccc1c3c45)N2,CC#N,341.0
14864,c1cc2c3c(cccc3c1)NC(c1ccc3ccc4cccc5ccc1c3c45)N2,CO,340.0
14864,c1cc2c3c(cccc3c1)NC(c1ccc3ccc4cccc5ccc1c3c45)N2,CS(C)=O,344.0
14864,c1cc2c3c(cccc3c1)NC(c1ccc3ccc4cccc5ccc1c3c45)N2,Cc1ccccc1,344.0
13767,O=C(O)c1cccc(/C2=C3\C=CC(=N3)/C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cccc(C(=O)O)c2)=C2/C=CC(=N2)/C=4c2cccc(C(=O)O)c2)c1,C1CCOC1,599.0
13711,O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,599.0
6186,CCN(CC)c1ccc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c(=O)oc2c1,CN(C)C=O,496.0
188,C(=C(c1nnn[nH]1)c1nnn[nH]1)c1ccc(N(c2ccccc2)c2ccc(C=C(c3nnn[nH]3)c3nnn[nH]3)cc2)cc1,CCO,385.0
4016,CCCCCCN1NC2C(N1)C1C3SC(c4ccc(N(c5ccccc5)c5ccccc5)cc4)CC3N(CCCCCC)C1C1C2C2SC(/C=C(\C#N)C(=O)O)CC2N1CCCCCC,ClCCl,548.0
4585,CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3CC4C(S3)C3C5NN(CCCCCC)NC5C5C6SC(/C=C(\C#N)C(=O)O)CC6N(CCCCCC)C5C3N4CCCCCC)cc2)cc1,ClCCl,555.0
4014,CCCCCCN1C2CC(/C=C(\C#N)C(=O)O)SC2C2C3NN(CC(CC)CCCC)NC3C3C4SC(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CC4N(CCCCCC)C3C21,C1CCOC1,480.0
4015,CCCCCCN1NC2C(N1)C1C3SC(c4ccc(N(c5ccccc5)c5ccccc5)cc4)CC3N(CC(CC)CCCC)C1C1C2C2SC(/C=C(\C#N)C(=O)O)CC2N1CC(CC)CCCC,ClCCl,548.0
4344,CCCCCCOc1ccc(N(c2ccc(/C=C/c3c4c(c(/C=C(\C#N)C(=O)O)c5c3OC(C)(C)O5)OC(C)(C)O4)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,453.0
3732,CCCCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4c5c(c3)cc(-c3ccc(OCCCCCC)cc3)n5-c3ccccc3S4)cc2CCCCCCCC)s1,ClCCl,461.0
6333,CCN1/C(=C\C=C\c2oc3ccccc3[n+]2CC)Oc2ccccc21,CCO,485.0
13550,O=C(O)CCCCCCN1C(=CC=Cc2oc3cc(S(=O)(=O)O)ccc3[n+]2CCCCCC(=O)O)Oc2cc(S(=O)(=O)[O-])ccc21,O,547.0
6349,CCN1C(=CC=Cc2oc3ccccc3[n+]2CC)Oc2ccccc21,ClCCl,488.0
6319,CCN1/C(=C/C=C/c2oc3ccccc3[n+]2CC)Oc2ccccc21,CCO,470.0
12685,N#CC(=Cc1ccc(-c2ccc(C(=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,439.0
12447,N#C/C(=C\c1ccc(-c2ccc(C(=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,436.0
11033,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2/C=C(c3ccc(/C=C(\C#N)C(=O)O)o3)C(=N2)/C=4c2ccc(C)cc2)cc1,C1CCOC1,607.0
11034,Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2/C=C(c3ccc(C=C(C(=O)O)C(=O)O)o3)C(=N2)/C=4c2ccc(C)cc2)cc1,C1CCOC1,607.0
9228,COc1ccc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3c(C)cc(C)cc3C)=C3/C=CC2=N3)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c2ccccc12,ClCCl,552.0
7961,CN1C(=CC2=C([O-])C(=Cc3oc4ccccc4[n+]3C)C2=C(C#N)C#N)Sc2ccccc21,ClC(Cl)Cl,664.0
15331,c1ccc([B-]23NC(C4CCCCC4)=Nc4cccc([n+]42)N=C(C2CCCCC2)N3)cc1,ClCCl,416.0
2250,CCC(C)(C)c1ccc(-c2ccc3c(c2)C(CCOC)(CCOC)c2cc4c(cc2-3)C(CCOC)(CCOC)c2cc(-c3ccc(C(C)(C)CC)cc3)ccc2-4)cc1,C1CCCCC1,366.0
929,CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc4c5ccc6c7ccc8c9c(ccc(c%10ccc(c%11c4n3[Ni]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC%11=N2)c5c%106)c97)C(=O)OC8=O)cc(C(C)(C)C)c1,ClC(Cl)Cl,805.0
2393,CCC1(CC)c2ccccc2-n2c3ccc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)cc3c3cccc1c32,C1CCOC1,464.0
15156,c1ccc(-n2c(-c3ccccc3-n3c4ccccc4c4ccccc43)nc3ccccc32)cc1,C1CCOC1,352.0
3923,CCCCCCN(CCCCCC)c1ccc(C#Cc2ccc(C#Cc3ccc(-c4ccc(C#Cc5ccc(C#Cc6ccc(N(CCCCCC)CCCCCC)cc6)cc5)cc4)cc3)cc2)cc1,Cc1ccccc1,381.0
6110,CCN(CC)c1ccc2c(C)c(-c3ccc(N4C(=O)C=CC4=O)cc3)c(=O)oc2c1,CO,384.0
1016,CC(C)(C)c1ccc(-c2cc3cc4c(cc(-c5ccc(C(C)(C)C)cc5)p4-c4ccccc4)cc3p2-c2ccccc2)cc1,C1CCOC1,396.0
5553,CCCC[C@H](CC)COc1ccc(-c2cc3c4c5c2cccc5c2cccc5c(-c6ccc(-c7ccc(-c8ccc(/C=C(\C#N)C(=O)O)s8)c8nc(-c9ccccc9)c(-c9ccccc9)nc78)s6)cc(c4c52)n3C[C@@H](CC)CCCC)cc1,C1CCOC1,525.0
2649,CCCCC(CC)COc1ccc(-c2cc3c4c5c2cccc5c2cccc5c(-c6ccc(-c7ccc(-c8ccc(/C=C(\C#N)C(=O)O)s8)c8nc(-c9ccccc9)c(-c9ccccc9)nc78)s6)cc(c4c52)n3CC(CC)CCCC)cc1,C1CCOC1,525.0