0 B16R1.23783 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Cl T164615 [0,0,0,0,0,0|1,0,0]=1 1 B16R1.23783 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S TMT00008 [0,0,0,0,0,0|1,0,0]=1 2 B16R1.23783 CC1=CC(=C(C(=C1)C(C)(C)C)N)C(C)(C)C PH008722 [0,0,0,0,0,0|1,0,0]=1 3 B15R1.3544 CC1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)O PH001389 [1,0,0,0,0,0|2,0,1]=4 4 B15R1.3544 CC1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)O S444294 [1,0,0,0,0,0|2,0,1]=4 5 B15R1.3544 CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(C)(C)C L498483 [1,0,0,0,0,0|3,0,0]=4 6 B15R1.5452 CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)O PH000046 [1,0,0,0,0,0|1,0,0]=2 7 B15R1.5452 CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)O R251178 [1,0,0,0,0,0|2,0,0]=3 8 B15R1.5452 CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C S312487 [1,0,0,0,0,0|1,0,0]=2 9 B15R1.5452 CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C S923354 [1,0,0,0,0,0|1,0,0]=2 10 B15R1.5452 CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C S923567 [1,0,0,0,0,0|1,0,0]=2 11 B15R1.5452 CC1=CC(=[S+]C(=C1)C(C)(C)C)C(C)(C)C R252212 [1,0,0,0,0,0|1,0,0]=2 12 B15R1.25705 C[N+]1=C(C=CC=C1C(C)(C)C)C(C)(C)C R256145 [1,0,0,0,0,0|2,0,0]=3 13 B15R1.25705 C[Si](C)(C)C1=CC=CC(=C1F)[Si](C)(C)C S815764 [1,0,0,0,0,0|1,2,0]=4 14 B17R1.20408 C(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C CDS001457 [0,1,0,0,0,0|0,0,1]=2 15 B17R1.20408 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N T141739 [0,1,0,0,0,0|0,0,1]=2 16 B17R1.20408 CC(C)(C)C1=CC(=NO)C=C(C1=O)C(C)(C)C PH011304 [0,1,0,0,0,0|1,0,1]=3 17 B14R1.361 CC1=CC(=C(C(=C1)C=O)O)C(C)(C)C PH002940 [2,0,0,0,0,0|1,0,1]=4 18 B14R1.4939 CC(C)C1=C(C(=CC=C1)C(C)(C)C)O PH008727 [2,0,0,0,0,0|0,0,0]=2 19 B14R1.3334 CC(C)(C)C1=CC=CC(=[O+]1)C(C)(C)C R246840 [2,0,0,0,0,0|1,0,0]=3 20 B14R1.3334 CC(C)(C)C1=CC=CC(=[O+]1)C(C)(C)C S920355 [2,0,0,0,0,0|1,0,0]=3 21 B14R1.3334 CC(C)(C)C1=CC=CC(=[O+]1)C(C)(C)C S97420 [2,0,0,0,0,0|1,0,0]=3 22 B14R1.3334 CC(C)(C)C1=CC=CC(=[S+]1)C(C)(C)C R250325 [2,0,0,0,0,0|1,0,0]=3 23 B14R1.3334 CC(C)(C)C1=CC=CC(=[S+]1)C(C)(C)C S922749 [2,0,0,0,0,0|1,0,0]=3 24 B14R1.3334 [NH+]1=C(C=CC=C1C(C)(C)C)C(C)(C)C R256072 [2,0,0,0,0,0|1,0,0]=3 25 B16R1.444 C#CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C T278467 [1,1,0,0,0,0|0,0,1]=3 26 B16R1.444 COC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C R251135 [1,1,0,0,0,0|1,0,0]=3 27 B16R1.52976 CC1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C S879916 [1,1,0,0,0,0|0,0,0]=2 28 B18R1.27314 COC1=C(C=C(C=C1C(C)(C)C)C#N)C(C)(C)C PH007911 [0,2,0,0,0,0|0,0,1]=3 29 B18R1.53578 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=N\O T141712 [0,2,0,0,0,0|0,0,1]=3 30 B18R1.53578 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=C=S S656860 [0,2,0,0,0,0|0,0,1]=3 31 B18R1.53578 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC#N PH002417 [0,2,0,0,0,0|0,0,1]=3 32 B18R1.126381 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N PH007918 [0,2,0,0,0,0|0,0,1]=3 33 B18R1.126381 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+](=O)[O-] CDS012535 [0,2,0,0,0,0|1,0,0]=3 34 B16R1.11364 CC(C)(C)C1=CC(=C(C=C1I)C(C)(C)C)I L165654 [0,0,0,0,1,1|2,0,0]=4