0 B6R1.2 CC1=NNC=C1 16756 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 NC1=NN=NS1 10118 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 O=C1C=CCC1 16113 [0,0,0,0,0,0|1,1,1]=3 3 B6R1.2 OC1=NNC=C1 20767 [0,0,0,0,0,0|2,1,0]=3 4 B6R1.2 S=C1C=CSS1 14968 [0,0,0,0,0,0|1,0,1]=2 5 B5R1.1 C1=CNN=C1 101248 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.1 C[Se]C1=CSC=C1 19191 [0,1,0,0,0,0|2,1,0]=4 7 B7R1.1 NCC1=CN=CN1 21313 [0,1,0,0,0,0|3,0,0]=4 8 B7R1.2 CC1=CC(C)=NN1 16674 [0,1,0,0,0,0|3,0,0]=4 9 B7R1.2 CC1=CC(C)=NN1 22069 [0,1,0,0,0,0|3,0,0]=4 10 B7R1.2 CC1=CC(C)=NN1 537 [0,1,0,0,0,0|3,0,0]=4 11 B7R1.2 CC1=NN=C(S)S1 508 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.2 CC1=NSC(N)=N1 22407 [0,1,0,0,0,0|3,0,0]=4 13 B7R1.2 C[N+]1=NSC(Cl)=C1 10315 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.4 CC1=CCCC1=O 16116 [0,1,0,0,0,0|1,1,1]=4 15 B7R1.4 CC1CC=CC1=O 16115 [0,1,0,0,0,0|1,1,1]=4 16 B7R1.4 CN1C=NC=C1Cl 21325 [0,1,0,0,0,0|3,0,0]=4 17 B5R0.1 O=C(O)\C=C\I 103159 [0,0,1,0,0,0|1,2,0]=4 18 B7R1.3 IC1=CC=CC=C1 102614 [0,0,0,0,0,1|2,0,0]=3 19 B7R1.3 O=C1C=CCCC1 19980 [0,0,0,0,0,1|1,1,1]=4 20 B7R1.3 O=C1CSC=CN1 13338 [0,0,0,0,0,1|1,1,0]=3 21 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.1 C=C\C=C(/C)CO 15823 [0,1,1,0,0,0|1,1,0]=4 23 B8R1.2 NCC1=NC=CC=C1 21601 [0,1,0,0,0,1|2,0,0]=4 24 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [0,1,0,0,0,1|2,0,0]=4 25 B8R1.3 ClC1=CC=C(I)N=C1 101633 [0,1,0,0,0,1|2,0,0]=4 26 B8R1.3 FC1=CN=C(F)C=C1 102007 [0,1,0,0,0,1|2,0,0]=4 27 B8R1.4 BrC1=CC(I)=CN=C1 101632 [0,1,0,0,0,1|2,0,0]=4 28 B8R1.4 CC1=CC=CC(I)=N1 100813 [0,1,0,0,0,1|2,0,0]=4 29 B8R1.4 CC1=CC=C[N+]([O-])=C1 4675 [0,1,0,0,0,1|2,0,0]=4 30 B8R1.4 CC1=CC=NC(S)=N1 20214 [0,1,0,0,0,1|1,0,0]=3 31 B8R1.4 CC1=CSCC(=O)N1 13339 [0,1,0,0,0,1|1,1,0]=4 32 B8R1.4 ClC1=CC(I)=CC=N1 100082 [0,1,0,0,0,1|2,0,0]=4 33 B8R1.4 ClC1=CC=NC(Cl)=C1 100096 [0,1,0,0,0,1|2,0,0]=4 34 B8R1.4 FC1=CC=NC(F)=C1 100267 [0,1,0,0,0,1|2,0,0]=4 35 B8R1.4 FC1=CN=CC(F)=C1 101992 [0,1,0,0,0,1|2,0,0]=4 36 B8R1.4 FC1=NC=CC(Cl)=C1 102387 [0,1,0,0,0,1|2,0,0]=4 37 B8R1.4 FC1=NC=CC(I)=C1 101074 [0,1,0,0,0,1|2,0,0]=4 38 B8R1.4 NC1=CC(Cl)=CC=N1 101260 [0,1,0,0,0,1|2,0,0]=4 39 B8R1.4 NC1=CC(F)=CC=C1 20479 [0,1,0,0,0,1|2,0,0]=4 40 B8R1.4 NC1=CC=CC(N)=C1 21487 [0,1,0,0,0,1|2,0,0]=4 41 B8R1.4 NC1=NC(F)=CC=C1 101259 [0,1,0,0,0,1|2,0,0]=4 42 B8R1.4 O=C1C=CNC(=O)N1 12125 [0,1,0,0,0,1|1,1,0]=4 43 B8R1.4 O=C1C=CNC(=O)O1 474 [0,1,0,0,0,1|0,2,0]=4 44 B8R1.5 BrC1=C(I)C=NC=C1 100763 [0,1,0,0,0,1|2,0,0]=4 45 B8R1.5 BrC1=CC=CN=C1I 101630 [0,1,0,0,0,1|2,0,0]=4 46 B8R1.5 CC1=CC=CN=C1O 20633 [0,1,0,0,0,1|1,1,0]=4 47 B8R1.5 ClC1=CC=CN=C1I 101634 [0,1,0,0,0,1|2,0,0]=4 48 B8R1.5 ClC1=CC=NC=C1Cl 100094 [0,1,0,0,0,1|2,0,0]=4 49 B8R1.5 ClC1=NC=CC=C1I 100075 [0,1,0,0,0,1|2,0,0]=4 50 B8R1.5 FC1=C(Cl)C=CN=C1 102021 [0,1,0,0,0,1|2,0,0]=4 51 B8R1.5 FC1=C(I)C=CC=C1 102030 [0,1,0,0,0,1|2,0,0]=4 52 B8R1.5 FC1=CC=CN=C1Cl 102016 [0,1,0,0,0,1|2,0,0]=4 53 B8R1.5 FC1=CC=CN=C1F 102003 [0,1,0,0,0,1|2,0,0]=4 54 B8R1.5 FC1=NC=CC=C1Cl 101990 [0,1,0,0,0,1|2,0,0]=4 55 B8R1.5 FC1=NC=CC=C1I 102077 [0,1,0,0,0,1|2,0,0]=4 56 B8R1.5 NC1=CC=CC=C1N 22078 [0,1,0,0,0,1|2,0,0]=4 57 B8R1.5 NC1=CC=CN=C1Cl 20953 [0,1,0,0,0,1|2,0,0]=4 58 B8R1.7 NC(=O)C1=CC=CO1 16899 [0,2,0,0,0,0|0,2,0]=4