0 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 CSC(=N)C1=CC=CN=C1 0332AD [0,0,0,0,0,0|1,1,0]=2 2 B10R1.15 CSC(=N)C1=CC=NC=C1 0163AD [0,0,0,0,0,0|3,1,0]=4 3 B10R1.15 CSC(=N)C1=NC=CC=C1 4542AF [0,0,0,0,0,0|3,1,0]=4 4 B10R1.15 N=C(NN)C1=CC=CC=C1 Y8569 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 NNC(=O)C1=NN=CC=C1 4805AC [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 O[C@@H](CCl)C1=CC=CN=C1 8986AA [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 CC(C)C1=NC=CN=C1 R572 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [1,0,0,0,0,0|3,0,0]=4 16 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [1,0,0,0,0,0|0,0,0]=1 17 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 7667AH [1,0,0,0,0,0|1,0,1]=3 23 B9R1.6 O=[N+]([O-])C1=CN=CN=C1 9527AL [1,0,0,0,0,0|2,0,1]=4 24 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 CCCC1=CN=CC=C1 6392AB [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 O\N=C\C1=CC=CC=C1 R588 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 7960AD [0,1,0,0,0,0|2,0,1]=4 29 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [0,1,0,0,0,0|2,0,0]=3 30 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X8846 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 6779AB [0,1,0,0,0,0|3,0,0]=4 33 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 1452AJ [0,1,0,0,0,0|3,0,0]=4 34 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 1099AL [0,1,0,0,0,0|3,0,0]=4 35 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,1,0,0,0,0|3,0,0]=4 36 B11R2.1 CC1=NOC2=C1C=CC=N2 8579AB [0,0,0,1,0,0|3,0,0]=4 37 B11R2.1 NC1CCC2=C1C=NC=C2 3373AJ [0,0,0,1,0,0|2,0,1]=4 38 B9R1.11 COC(=O)C1=CON=C1 4175AJ [0,0,0,0,1,0|1,0,0]=2 39 B9R1.11 COC(=O)C1=NCCC1 8402AB [0,0,0,0,1,0|0,0,3]=4 40 B9R1.11 COC(=O)C1CSC=N1 B236 [0,0,0,0,1,0|1,0,2]=4 41 B9R1.11 NNC(=O)C1=NC=CO1 7606AH [0,0,0,0,1,0|3,0,0]=4 42 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [0,0,0,0,0,1|3,0,0]=4 43 B8R0.6 C\C=C\C=C\C(=O)OC 8249AL [1,0,1,0,0,0|0,0,1]=3 44 B8R1.2 BrCC1=CN=CC=C1 0834AC [2,0,0,0,0,0|1,0,1]=4 45 B8R1.2 CNC1=CC=CC=C1 7883AF [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 O=CC1=CC=NC=C1 7668AH [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 O=CC1=NN=CC=N1 9261AH [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 O[Hg]C1=CC=CC=C1 7647AF [2,0,0,0,0,0|2,0,0]=4 50 B10R1.13 CC1=CC=C(C(=N)N)C=N1 W4264 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.13 CC1=CC=C(C(N)=S)C=N1 5826AD [1,1,0,0,0,0|1,1,0]=4 52 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [1,1,0,0,0,0|1,0,0]=3 53 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [1,1,0,0,0,0|0,0,0]=2 54 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.61 NC(=O)C1=C(N)N=CN=C1 Z2814 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.61 NC1=C(B(O)O)C=CC=N1 3540AA [1,1,0,0,0,0|1,0,1]=4 58 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [1,1,0,0,0,0|0,0,0]=2 59 B10R1.61 NC1=NC=NC=C1C(=O)O 5566AH [1,1,0,0,0,0|1,0,0]=3 60 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [1,1,0,0,0,0|0,0,0]=2 61 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 7862AF [1,1,0,0,0,0|0,0,2]=4 64 B10R1.113 NC(=O)C1=NC(F)=CN=C1 1523AE [1,1,0,0,0,0|2,0,0]=4 65 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [1,1,0,0,0,0|2,0,0]=4 66 B10R1.113 O=[N+]([O-])C1=CN=CC(Cl)=C1 W4604 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.1 CNCC1=CC=C(Cl)N=C1 0994AD [1,1,0,0,0,0|1,0,1]=4 68 B10R1.1 COCC1=CN=C(Cl)C=C1 Z2539 [1,1,0,0,0,0|0,0,1]=3 69 B10R1.4 CCCC1=C(C)C=CN=C1 Z0694 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.4 CCOC1=C(Br)C=CN=C1 5580AH [1,1,0,0,0,0|2,0,0]=4 71 B10R1.10 CCOC1=CC(C)=CN=C1 Y3973 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.17 CCOCC1=NC=CN=C1 3692AB [1,1,0,0,0,0|1,0,1]=4 73 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [1,1,0,0,0,0|1,0,0]=3 74 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,1,0,0,1,0|2,0,0]=4 75 B10R1.14 COC(=O)C1=CC=C(I)O1 9757AL [0,1,0,0,1,0|1,0,0]=3 76 B10R1.14 COC(=O)C1=CN=C(N)[Se]1 Z2510 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,1,0,0,1,0|1,0,0]=3 78 B10R1.23 CC(N)C(=O)C1=CC=CS1 0930AC [0,1,0,0,1,0|2,0,0]=4 79 B10R1.149 COC(=O)C1=CNN=C1I 5284AA [0,1,0,0,1,0|1,0,0]=3 80 B12R1.32 O=C(CCCl)NC1=CC=CN=C1 5445AE [0,1,0,0,0,1|1,0,0]=3 81 B12R1.43 CN(C)C(=O)OC1=CC=CN=C1 P703 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 3084AJ [0,2,0,0,0,0|1,0,0]=3 83 B12R1.17 CCOC(=O)C1=NC(O)=CC=C1 7589AB [0,2,0,0,0,0|2,0,0]=4 84 B12R1.17 CNCC(=O)C1=CC(F)=CC=C1 5553AC [0,2,0,0,0,0|2,0,0]=4 85 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 4658AA [0,2,0,0,0,0|2,0,0]=4 86 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 Y1218 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.17 CONC(=O)C1=CC(Br)=CN=C1 Y3702 [0,2,0,0,0,0|0,0,0]=2 88 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 B186 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.30 NCCNC(=O)C1=CC=CC=C1 0754AP [0,2,0,0,0,0|2,0,0]=4 90 B12R1.107 CC(=O)CC(=O)C1=CC=CN=C1 4506AB [0,2,0,0,0,0|1,0,0]=3 91 B12R1.107 CC(C)OC(=O)C1=CN=CC=C1 U511 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.308 CCOC(=O)C1=CC=NC=C1C 8767AB [0,2,0,0,0,0|2,0,0]=4 93 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 Y6376 [0,2,0,0,0,0|0,0,0]=2 94 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 9848AL [0,2,0,0,0,0|0,0,0]=2 95 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=C1 X5465 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.354 CNC(=O)C1=C(F)N=CC(Br)=C1 Z0070 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.354 COC(=O)C1=C(F)N=CC(Cl)=C1 Y3826 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.358 COC(=O)C1=CC(Cl)=NC(Br)=C1 Y0527 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 Y4447 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 X2835 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.435 COC(=O)C1=CC=CC(NN)=C1 Y6246 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.435 COC(=O)C1=NC=CC(CBr)=C1 3465AB [0,2,0,0,0,0|2,0,0]=4 103 B12R1.3441 COC(=O)C1=[N+]([O-])C=CC=C1C 2335AJ [0,2,0,0,0,0|2,0,0]=4 104 B10R2.7 C1=CC2=C(CC=C2)N=C1 2529AB [1,0,0,1,0,0|1,0,0]=3 105 B10R2.7 C1=CN=C2NC=CC2=C1 7845AF [1,0,0,1,0,0|2,0,0]=4 106 B10R2.7 C1=CN=C2OC=CC2=C1 Y8520 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.1081 O=C1CCCC2=C1C=NC=C2 1098AB [0,1,0,1,0,0|1,0,0]=3 108 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [0,1,0,1,0,0|2,0,0]=4 109 B8R1.7 CC(=O)C1=CC=NN1 9154AA [1,0,0,0,1,0|1,0,0]=3 110 B8R1.7 O=C(O)C1=NN=CO1 6208AC [1,0,0,0,1,0|2,0,0]=4