0 B7R1.4 CC1=NNN=C1Br H10262 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 CN1CC=CC1=O N13365 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.4 ClC1=C(I)SC=C1 P18106 [0,0,0,0,0,0|2,1,0]=3 3 B7R1.4 FC1=C(Br)NC=N1 73198 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 FC1=CNC=C1F P18993 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 FC1=NNC=C1Br P15391 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 BrC1=CC=NO1 A51037 [1,0,0,0,0,0|2,0,0]=3 7 B6R1.2 BrC1=COC=N1 AT22646 [1,0,0,0,0,0|2,0,0]=3 8 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,0,0|1,1,0]=3 9 B6R1.2 FC1=NC=CN1 F31129 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 O=C1NN=CO1 D96956 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.11 CC1=NOC=C1CN Y14820 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.11 CCN1N=CC=C1O AT26527 [0,1,0,0,0,0|2,1,0]=4 13 B8R1.18 CN1N=C(Br)C=C1Br 97704 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.18 CN1N=C(Cl)C=C1N P17875 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,1,0,0,0,0|1,1,0]=3 16 B6R0.3 C=CC(=O)C(=O)O AC9460 [0,0,1,0,0,0|1,1,0]=3 17 B6R0.3 C=C[C@H](N)C(=O)O F31036 [0,0,1,0,0,0|2,0,1]=4 18 B8R1.4 FC1=NC=CC(Cl)=N1 P11997 [0,0,0,0,0,1|3,0,0]=4 19 B8R1.4 NC1=CC(I)=NC=C1 D96556 [0,0,0,0,0,1|3,0,0]=4 20 B8R1.4 NC1=NC=CC(F)=N1 P12222 [0,0,0,0,0,1|3,0,0]=4 21 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,0,0,0,0,1|1,1,0]=3 22 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [0,0,0,0,0,1|3,0,0]=4 23 B8R1.5 CC1=CN=NC=C1N P18597 [0,0,0,0,0,1|3,0,0]=4 24 B8R1.5 NC1=C(Cl)C=CN=N1 D95227 [0,0,0,0,0,1|3,0,0]=4 25 B8R1.5 NC1=CC=NNC1=O 36341 [0,0,0,0,0,1|3,0,0]=4 26 B8R1.5 NC1=CC=NNC1=S P12544 [0,0,0,0,0,1|3,0,0]=4 27 B5R1.1 C1=NN=CO1 F13208 [2,0,0,0,0,0|2,0,0]=4 28 B7R1.1 NCC1=CON=C1 H10991 [1,1,0,0,0,0|2,0,0]=4 29 B7R1.1 OCC1=NN=CO1 AT18766 [1,1,0,0,0,0|2,0,0]=4 30 B7R1.1 OCC1=NSC=C1 AT21123 [1,1,0,0,0,0|2,0,0]=4 31 B7R1.2 CC1=NC(N)=CS1 AC8716 [1,1,0,0,0,0|1,1,0]=4 32 B7R1.2 ClC1=CC(Br)=CS1 AT16572 [1,1,0,0,0,0|1,1,0]=4 33 B7R1.2 FC1=CSC(Br)=C1 T70774 [1,1,0,0,0,0|1,1,0]=4 34 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,1|2,0,0]=4 36 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,1|2,0,0]=4 37 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,1|2,0,0]=4 38 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,1,0,0,0,1|1,1,0]=4 39 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,1|2,0,0]=4 40 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,1,0,0,0,1|2,0,0]=4 41 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [0,1,0,0,0,1|2,0,0]=4 42 B9R1.34 CC1=CC(Br)=CC(F)=N1 91513 [0,1,0,0,0,1|2,0,0]=4 43 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C71881 [0,1,0,0,0,1|2,0,0]=4 44 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [0,1,0,0,0,1|2,0,0]=4 45 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,1,0,0,0,1|2,0,0]=4 46 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,1,0,0,0,1|2,0,0]=4 47 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [0,1,0,0,0,1|2,0,0]=4 48 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [0,1,0,0,0,1|2,0,0]=4 49 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [0,1,0,0,0,1|1,1,0]=4 50 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,1,0,0,0,1|2,0,0]=4 52 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [0,1,0,0,0,1|1,1,0]=4 53 B9R1.15 OCC1=C(Br)C=NC=N1 AC8251 [0,1,0,0,0,1|2,0,0]=4 54 B9R1.40 CC1(C)COC=CC1=O Y13541 [0,1,0,0,0,1|0,1,1]=4 55 B9R1.14 COC1=C(C=O)C=CS1 P15996 [0,2,0,0,0,0|0,2,0]=4 56 B9R1.22 CC1=NC(C)=C(CN)O1 88380 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.23 CC1=C(Br)C=C(C#N)N1 W19337 [0,2,0,0,0,0|2,0,0]=4 59 B9R2.3 C1=CC2=CSC=C2S1 F19736 [0,1,0,1,0,0|0,1,1]=4