0 B6R1.2 CC1=NNC=C1 16756 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 NC1=NN=NS1 10118 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 O=C1C=CCC1 16113 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 OC1=NNC=C1 20767 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 OC1=NNCC1 20904 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 S=C1C=CSS1 14968 [0,0,0,0,0,0|4,0,0]=4 6 B5R1.1 C1=CNN=C1 101248 [1,0,0,0,0,0|0,0,0]=1 7 B7R1.1 CNC1=NN=NS1 10259 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.1 C[Se]C1=CSC=C1 19191 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.1 ClCC1=NN=CO1 10146 [0,1,0,0,0,0|3,0,0]=4 10 B7R1.1 NCC1=CN=CN1 21313 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.2 CC1=CC(C)=NN1 16674 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.2 CC1=CC(C)=NN1 22069 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.2 CC1=CC(C)=NN1 537 [0,1,0,0,0,0|2,0,0]=3 14 B7R1.2 CC1=NN=C(S)S1 508 [0,1,0,0,0,0|3,0,0]=4 15 B7R1.2 C[N+]1=NSC(Cl)=C1 10315 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.4 CC1=CCCC1=O 16116 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.4 CN1C=NC=C1Cl 21325 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.4 CN1N=NN=C1S 510 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.1 C\C(Br)=C/CO 103149 [0,0,1,0,0,0|3,0,0]=4 20 B5R0.1 C\C(I)=C\CO 103135 [0,0,1,0,0,0|3,0,0]=4 21 B7R1.3 IC1=CC=CC=C1 102614 [0,0,0,0,0,1|3,0,0]=4 22 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [0,0,0,0,0,1|2,0,1]=4 23 B4R0.2 C\C=C/CO 102650 [1,0,1,0,0,0|2,0,0]=4 24 B6R0.3 CC(C)=C(C)CN 102343 [0,1,1,0,0,0|1,0,1]=4 25 B6R0.3 CC(C)=C(F)CN 102362 [0,1,1,0,0,0|1,0,1]=4 26 B8R1.2 NCC1=NC=CC=C1 21601 [0,1,0,0,0,1|2,0,0]=4 27 B8R1.3 ClC1=CC=C(I)N=C1 101633 [0,1,0,0,0,1|2,0,0]=4 28 B8R1.3 FC1=CN=C(F)C=C1 102007 [0,1,0,0,0,1|2,0,0]=4 29 B8R1.4 BrC1=CC(I)=CN=C1 101632 [0,1,0,0,0,1|2,0,0]=4 30 B8R1.4 CC1=CC=CC(I)=N1 100813 [0,1,0,0,0,1|2,0,0]=4 31 B8R1.4 CC1=CC=C[N+]([O-])=C1 4675 [0,1,0,0,0,1|1,0,1]=4 32 B8R1.4 CC1=CC=NC(S)=N1 20214 [0,1,0,0,0,1|1,0,0]=3 33 B8R1.4 CC1=CSCC(=O)N1 13339 [0,1,0,0,0,1|2,0,0]=4 34 B8R1.4 ClC1=CC(I)=CC=N1 100082 [0,1,0,0,0,1|2,0,0]=4 35 B8R1.4 ClC1=CC=NC(Cl)=C1 100096 [0,1,0,0,0,1|2,0,0]=4 36 B8R1.4 FC1=CC=NC(F)=C1 100267 [0,1,0,0,0,1|2,0,0]=4 37 B8R1.4 FC1=CN=CC(F)=C1 101992 [0,1,0,0,0,1|2,0,0]=4 38 B8R1.4 FC1=NC=CC(Cl)=C1 102387 [0,1,0,0,0,1|2,0,0]=4 39 B8R1.4 FC1=NC=CC(I)=C1 101074 [0,1,0,0,0,1|2,0,0]=4 40 B8R1.4 NC1=CC(Cl)=CC=N1 101260 [0,1,0,0,0,1|2,0,0]=4 41 B8R1.4 O=C1C=CNC(=O)N1 12125 [0,1,0,0,0,1|2,0,0]=4 42 B8R1.4 O=C1C=CNC(=O)O1 474 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.5 BrC1=C(I)C=NC=C1 100763 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.5 BrC1=CC=CN=C1I 101630 [0,1,0,0,0,1|2,0,0]=4 45 B8R1.5 CC1=CC=CN=C1O 20633 [0,1,0,0,0,1|1,0,0]=3 46 B8R1.5 ClC1=CC=CN=C1I 101634 [0,1,0,0,0,1|2,0,0]=4 47 B8R1.5 ClC1=CC=NC=C1Cl 100094 [0,1,0,0,0,1|2,0,0]=4 48 B8R1.5 ClC1=NC=CC=C1I 100075 [0,1,0,0,0,1|2,0,0]=4 49 B8R1.5 FC1=C(Cl)C=CN=C1 102021 [0,1,0,0,0,1|2,0,0]=4 50 B8R1.5 FC1=CC=CN=C1Cl 102016 [0,1,0,0,0,1|2,0,0]=4 51 B8R1.5 FC1=CC=CN=C1F 102003 [0,1,0,0,0,1|2,0,0]=4 52 B8R1.5 FC1=NC=CC=C1Cl 101990 [0,1,0,0,0,1|2,0,0]=4 53 B8R1.5 FC1=NC=CC=C1I 102077 [0,1,0,0,0,1|2,0,0]=4 54 B8R1.5 NC1=CC=CN=C1Cl 20953 [0,1,0,0,0,1|2,0,0]=4 55 B8R1.1 CC1=CC(CO)=NN1 19867 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.7 N1C=C([N+](=O)[O-])N=N1 20475 [0,2,0,0,0,0|2,0,0]=4 57 B8R1.7 N1N=CC([N+](=O)[O-])=N1 20560 [0,2,0,0,0,0|2,0,0]=4 58 B8R1.7 O=C(O)C1=CNN=C1 21414 [0,2,0,0,0,0|0,0,1]=3 59 B8R1.11 CCC1=CCCC1=O 16118 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.11 ClCC1=C(Cl)SN=N1 10269 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.50 CC1=CCC(C)C1=O 16114 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.50 CC1=NNC(C)=C1C 16723 [0,2,0,0,0,0|0,0,0]=2 63 B8R1.50 CN1N=NN(C)C1=S 20355 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.50 N1N=C(C)C(N)=C1C 20694 [0,2,0,0,0,0|1,0,0]=3