0 B17R1.20408 C(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C CDS001457 [0,0,0,0,0,0|0,0,2]=2 1 B17R1.20408 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N T141739 [0,0,0,0,0,0|1,0,1]=2 2 B17R1.20408 CC(C)(C)C1=CC(=NO)C=C(C1=O)C(C)(C)C PH011304 [0,0,0,0,0,0|1,0,1]=2 3 B16R1.444 C#CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C T278467 [1,0,0,0,0,0|1,0,1]=3 4 B16R1.444 COC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C R251135 [1,0,0,0,0,0|3,0,0]=4 5 B16R1.23783 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Cl T164615 [1,0,0,0,0,0|1,0,0]=2 6 B16R1.23783 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S TMT00008 [1,0,0,0,0,0|0,1,0]=2 7 B16R1.23783 CC1=CC(=C(C(=C1)C(C)(C)C)N)C(C)(C)C PH008722 [1,0,0,0,0,0|1,0,0]=2 8 B18R1.27314 COC1=C(C=C(C=C1C(C)(C)C)C#N)C(C)(C)C PH007911 [0,1,0,0,0,0|1,0,1]=3 9 B18R1.53578 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=N\O T141712 [0,1,0,0,0,0|0,0,1]=2 10 B18R1.53578 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=C=S S656860 [0,1,0,0,0,0|0,1,1]=3 11 B18R1.53578 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC#N PH002417 [0,1,0,0,0,0|1,0,1]=3 12 B18R1.126381 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N PH007918 [0,1,0,0,0,0|0,0,2]=3 13 B18R1.126381 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+](=O)[O-] CDS012535 [0,1,0,0,0,0|1,0,1]=3 14 B18R1.126381 CC(C)(C)C1=NC(=NC(=C1O)C(C)(C)C)C(=O)O PH001562 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.5452 CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)O PH000046 [2,0,0,0,0,0|0,0,0]=2 16 B15R1.5452 CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)O R251178 [2,0,0,0,0,0|1,0,0]=3 17 B15R1.5452 CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C S312487 [2,0,0,0,0,0|1,0,0]=3 18 B15R1.5452 CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C S923354 [2,0,0,0,0,0|1,0,0]=3 19 B15R1.5452 CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C S923567 [2,0,0,0,0,0|1,0,0]=3 20 B15R1.5452 CC1=CC(=[S+]C(=C1)C(C)(C)C)C(C)(C)C R252212 [2,0,0,0,0,0|1,0,0]=3 21 B15R1.688 CC(C)C1=CC(=CC(=C1O)C(C)C)C=O PH000275 [2,0,0,0,0,0|0,0,2]=4 22 B15R1.25705 C[N+]1=C(C=CC=C1C(C)(C)C)C(C)(C)C R256145 [2,0,0,0,0,0|2,0,0]=4 23 B17R1.16244 CC(C)C1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C R250554 [1,1,0,0,0,0|2,0,0]=4 24 B17R1.16244 CC(C)C1=CC(=[S+]C(=C1)C(C)(C)C)C(C)(C)C R251283 [1,1,0,0,0,0|2,0,0]=4 25 B19R1.148116 CO/N=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C T141704 [0,2,0,0,0,0|0,0,1]=3 26 B19R1.2086512 C/C(=N\N)/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C T141569 [0,2,0,0,0,0|1,0,1]=4 27 B19R1.2086512 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CBr S40003 [0,2,0,0,0,0|1,0,0]=3 28 B19R1.2086512 CCC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C R582557 [0,2,0,0,0,0|1,0,0]=3 29 B19R1.2086512 CNC(=S)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C R582573 [0,2,0,0,0,0|0,1,1]=4 30 B19R1.2086512 COC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C S434612 [0,2,0,0,0,0|0,0,1]=3 31 B19R1.2086512 COC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C T141747 [0,2,0,0,0,0|0,0,1]=3