0 B8R1.50 CC1=C(C)C(N)=NO1 AC181619 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.50 CC1=NNC(C)=C1Br AC511668 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.50 CC1=NNC(C)=C1I AC180426 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.50 CC1=NOC(=C1Br)C LN00183856 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.50 CC1=NOC(N)=C1Br AC051039 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.50 CC1=NOC(N)=C1Cl AC020803 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.50 CC1C(=O)CCC1=O AC511789 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.50 IN1C(=O)CCC1=O AC130490 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.50 ON1C(=O)CCC1=O AC510432 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=CC(=CS1)Br LN00009283 [1,0,0,0,0,0|1,1,1]=4 10 B7R1.2 CC1=CC(=NN1)Br LN00003238 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CC1=CC(Br)=CS1 AC181846 [1,0,0,0,0,0|1,1,1]=4 12 B7R1.2 CC1=CC(Br)=NO1 AC512084 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.2 CC1=CC(N)=NN1 AC180618 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 CC1=NOC(N)=C1 AC020889 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 CC1=NSC(N)=C1 AC021204 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 O=C1CCC(=O)C1 AC170075 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.4 C1[C@@H](C(=NO1)O)N LN01377957 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.4 CC1=C(Br)C=NN1 AC190316 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.27 CC1=C(C=O)C(C)=NO1 AC181481 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.27 CCC1=C(C)CNC1=O AC180824 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.15 [O-]C1=CC(=O)C1=O HY-101905 [0,0,0,0,1,0|1,0,2]=4 22 B9R1.69 CC1=CC=C(Br)C(O)=C1 AC182616 [0,0,0,0,0,1|2,0,1]=4 23 B9R1.69 CC1=CC=C(O)C=C1O AC511938 [0,0,0,0,0,1|1,0,2]=4 24 B9R1.69 CC1=CNC(=O)C(Br)=C1 AC181725 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.69 CC1=NC=C(Cl)C(O)=N1 AC051115 [0,0,0,0,0,1|2,0,1]=4 26 B9R1.69 CC1=NNC(=O)C(Br)=C1 AC050728 [0,0,0,0,0,1|3,0,0]=4 27 B9R1.69 OC1=CC(=O)NC=C1Cl HY-17469 [0,0,0,0,0,1|3,0,0]=4 28 B6R0.1 CCOC(=O)CO AC130521 [1,0,1,0,0,0|0,0,2]=4 29 B6R0.4 COCCC(O)=O AC100057 [1,0,1,0,0,0|2,0,0]=4 30 B6R0.4 CSCCC(O)=O HY-101401 [1,0,1,0,0,0|2,0,0]=4 31 B6R0.4 OC(=O)CCC=C AC511045 [1,0,1,0,0,0|1,0,1]=4 32 B6R0.3 CCC(C)C(O)=O AC180050 [1,0,1,0,0,0|1,0,1]=4 33 B6R0.3 COC(C)C(O)=O AC511149 [1,0,1,0,0,0|0,0,1]=3 34 B6R0.3 CON(C)C(C)=O AC130053 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [1,0,1,0,0,0|0,0,1]=3 36 B6R0.3 OC(=O)C(=O)CBr HY-19992 [1,0,1,0,0,0|2,0,0]=4 37 B6R1.2 BrC1=COC=C1 AC130126 [2,0,0,0,0,0|1,0,1]=4 38 B6R1.2 C1=CON=C1Br LN00190967 [2,0,0,0,0,0|2,0,0]=4 39 B6R1.2 CC1=CCCC1 AC220188 [2,0,0,0,0,0|1,0,1]=4 40 B6R1.2 CC1=NNC=C1 AC130325 [2,0,0,0,0,0|2,0,0]=4 41 B6R1.2 O=C1CCOC1 AC220014 [2,0,0,0,0,0|0,0,2]=4 42 B8R1.1 CC1=NC(=CO1)C=O LN00169165 [1,1,0,0,0,0|1,0,1]=4 43 B8R1.1 CC1=NOC(CN)=C1 AC320008 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.1 COC1=CC(N)=NO1 AC182433 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.51 C[Pt+2]1(C)[O-]CC(=O)[O-]1 HY-13700 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.2 CC1=C(C(=CC=C1)C=O)O LN00226164 [0,1,0,0,0,1|1,0,1]=4 47 B10R1.2 CC1=C(O)C(C=O)=CC=C1 AC511803 [0,1,0,0,0,1|1,0,1]=4 48 B10R1.22 CC1=C(O)C(=O)N=C(N)N1 AC511332 [0,1,0,0,0,1|1,0,1]=4 49 B10R1.119 CN1C=CC(=O)C(O)=C1C HY-B0568 [0,1,0,0,0,1|1,0,1]=4 50 B10R1.25 CC1=CC=C(C=O)C(O)=C1 AC511779 [0,1,0,0,0,1|1,0,1]=4 51 B10R1.176 CC1=C(C=C(C=C1)C=O)O LN01279400 [0,1,0,0,0,1|1,0,1]=4 52 B10R1.192 CC1=NOC(C)=C1B(O)O AC090078 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.192 CC1=NOC(C)=C1C(O)=O AC180507 [0,2,0,0,0,0|2,0,0]=4 54 B8R1.4 CC1=CC(=O)NC=N1 AC170050 [1,0,0,0,0,1|1,0,1]=4 55 B8R1.4 CC1=CC(=O)NN=C1 AC050579 [1,0,0,0,0,1|2,0,0]=4 56 B8R1.4 CC1CC(=O)CCO1 AC220032 [1,0,0,0,0,1|0,0,2]=4