0 B6R0.6 CC=C=CCCO 1076AQ [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 COCCCC=O Y8222 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C=CC\C=C/C 0307AQ [1,0,0,0,0,0|0,0,1]=2 3 B7R0.1 C=CC\C=C\CCC 4639AL [0,1,0,0,0,0|1,0,2]=4 4 B7R0.1 CC\C=C/CCC=O 8476AJ [0,1,0,0,0,0|0,0,2]=3 5 B7R0.3 CCO\C=C(/C)C=O 3175AE [0,1,0,0,0,0|1,0,1]=3 6 B7R0.4 C=C(C)CC\C=C\C 5695AL [0,1,0,0,0,0|1,0,2]=4 7 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [0,1,0,0,0,0|0,0,0]=1 8 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [0,1,0,0,0,0|0,0,0]=1 9 B7R1.1 C=CC1=NC=CS1 Y1855 [0,0,0,1,0,0|1,1,1]=4 10 B7R1.1 CCC1=CSC=N1 9240AA [0,0,0,1,0,0|2,0,1]=4 11 B7R1.1 CCC1=[C-]CC=C1 3755AB [0,0,0,1,0,0|1,0,2]=4 12 B7R1.1 CNC1=NC=CO1 6947AC [0,0,0,1,0,0|2,0,1]=4 13 B7R1.1 CSC1=CC=CO1 3661AD [0,0,0,1,0,0|1,0,1]=3 14 B7R1.1 O=CC1=CNN=N1 Z5678 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.1 O=CC1=NN=CO1 X2008 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.1 O=CN1C=CN=C1 4713AH [0,0,0,1,0,0|2,0,1]=4 17 B7R1.3 ClC1=NC=CC=N1 2179AC [0,0,0,1,0,0|3,0,0]=4 18 B7R1.3 IC1=NC=NC=C1 9969AD [0,0,0,1,0,0|3,0,0]=4 19 B7R1.3 IC1=NN=CC=C1 2308AJ [0,0,0,1,0,0|3,0,0]=4 20 B7R1.3 O=C1C=COCC1 2954AC [0,0,0,1,0,0|1,0,1]=3 21 B7R1.3 OC1=NC=CC=N1 Y4949 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.3 [O-]C1=CC=CN=C1 P818 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.4 BrC1=C(I)C=CS1 1779AB [0,0,0,1,0,0|3,0,0]=4 24 B7R1.4 CC1=C(I)C=NO1 Y9878 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.4 CC1=C(N)C=CS1 1720AB [0,0,0,1,0,0|2,0,0]=3 26 B7R1.4 CC1=C(N)C=NO1 4024AC [0,0,0,1,0,0|3,0,0]=4 27 B7R1.4 CC1=C(N)N=CN1 3265AJ [0,0,0,1,0,0|3,0,0]=4 28 B7R1.4 CC1=C(N)OC=N1 1683AC [0,0,0,1,0,0|3,0,0]=4 29 B7R1.4 CC1=CSC=C1N 6789AB [0,0,0,1,0,0|2,0,0]=3 30 B7R1.4 CN1C=NC=C1N Y5509 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.4 NC1=C(Br)SC=C1 1486AA [0,0,0,1,0,0|3,0,0]=4 32 B7R1.4 NC1=CSC=C1Cl 2703AL [0,0,0,1,0,0|3,0,0]=4 33 B7R1.4 NC1=CSC=C1N 5474AD [0,0,0,1,0,0|3,0,0]=4 34 B7R1.4 OC1=CSC=C1O 6989AA [0,0,0,1,0,0|2,0,1]=4 35 B4R0.2 C=C=CCC 4475AL [2,0,0,0,0,0|0,0,2]=4 36 B4R0.2 C=C\C=C/C 7414AL [2,0,0,0,0,0|0,0,0]=2 37 B4R0.2 C\C=C/CO 5583AB [2,0,0,0,0,0|0,0,2]=4 38 B4R0.2 C\C=C\CBr 8491AJ [2,0,0,0,0,0|1,0,1]=4 39 B6R0.1 COC(=O)NC=O 3236AB [1,1,0,0,0,0|2,0,0]=4 40 B6R0.4 C=CCOC(N)=O 0515AQ [1,1,0,0,0,0|1,0,1]=4 41 B6R0.4 C\C=C\CC(=O)O 6149AL [1,1,0,0,0,0|0,0,1]=3 42 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [0,2,0,0,0,0|0,0,1]=3 43 B8R0.28 CC(=O)N\C=C/[N+](=O)[O-] 4523AA [0,2,0,0,0,0|2,0,0]=4 44 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,2,0,0,0,0|1,0,1]=4 45 B6R1.2 CC1=CNC=C1 W7383 [1,0,0,1,0,0|1,0,0]=3 46 B6R1.2 CC1=COC=C1 X5961 [1,0,0,1,0,0|1,0,0]=3 47 B6R1.2 FC1=CSC=C1 6051AL [1,0,0,1,0,0|2,0,0]=4 48 B6R1.2 NC1=CC=CS1 9727AA [1,0,0,1,0,0|1,1,0]=4 49 B6R1.2 NC1=CC=CS1 Y9627 [1,0,0,1,0,0|1,1,0]=4 50 B6R1.2 OC1=CC=CO1 X6571 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.2 BrCC1=NC=NC=C1 6571AA [0,1,0,1,0,0|2,0,0]=4 52 B8R1.2 BrCC1=NC=NC=C1 7791AB [0,1,0,1,0,0|2,0,0]=4 53 B8R1.2 BrCC1=NN=CC=C1 X0198 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.2 ClCC1=CC=CC=N1 V2306 [0,1,0,1,0,0|1,0,0]=3 55 B8R1.2 ClCC1=NC=CN=C1 Y8973 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.2 ClCC1=NC=NC=C1 7792AB [0,1,0,1,0,0|2,0,0]=4 57 B8R1.2 ClCC1=NN=CC=C1 5659AB [0,1,0,1,0,0|2,0,0]=4 58 B8R1.2 NCC1=NC=CC=N1 4855AH [0,1,0,1,0,0|2,0,0]=4 59 B8R1.2 NCC1=NC=CN=C1 9838AJ [0,1,0,1,0,0|2,0,0]=4 60 B8R1.2 O=CC1=CC=NC=N1 W4791 [0,1,0,1,0,0|1,0,0]=3 61 B8R1.2 OCC1=CC=NC=C1 D932 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.2 OCC1=NC=CC=C1 D931 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.5 CC1=C(F)C=CN=C1 2798AB [0,1,0,1,0,0|1,0,0]=3 64 B8R1.5 CC1=NC=CC=C1O 9469AJ [0,1,0,1,0,0|0,0,1]=3 65 B8R1.5 NC1=CC=CC=C1Br 6262AC [0,1,0,1,0,0|1,0,1]=4 66 B8R1.5 O=C1CCCC=C1I 2099AL [0,1,0,1,0,0|0,0,2]=4 67 B8R1.5 O=C1NC=CC=C1I 2032AA [0,1,0,1,0,0|1,0,0]=3 68 B8R1.8 BrCCC1=CC=CO1 1031AJ [0,1,0,1,0,0|0,0,2]=4 69 B8R1.8 O=CCN1C=CC=N1 6960AC [0,1,0,1,0,0|1,0,1]=4 70 B8R1.11 C=CN1C=CN=C1C 5702AL [0,1,0,1,0,0|2,0,0]=4 71 B8R1.11 CC1=C(C=O)NC=C1 1713AB [0,1,0,1,0,0|0,0,0]=2 72 B8R1.11 CC1=NON=C1C=O 5066AC [0,1,0,1,0,0|2,0,0]=4 73 B8R1.11 CNC1=C(N)C=CS1 5831AA [0,1,0,1,0,0|1,1,0]=4 74 B8R1.11 COC1=C(I)SC=C1 9868AB [0,1,0,1,0,0|2,0,0]=4 75 B8R1.11 NC1=C(C=O)OC=C1 8258AB [0,1,0,1,0,0|1,0,0]=3 76 B8R1.11 NCC1=C(Br)SC=C1 8483AH [0,1,0,1,0,0|2,0,0]=4 77 B8R1.11 O=CC1=C(Cl)C=CN1 2395AL [0,1,0,1,0,0|1,0,0]=3 78 B8R1.11 O=CC1=C(F)C=CS1 3618AB [0,1,0,1,0,0|1,0,0]=3 79 B8R1.49 C1=CCCC=CCC1 3897AA [0,1,0,1,0,0|1,0,1]=4 80 B8R1.49 C1=CCCC=CCC1 4304AA [0,1,0,1,0,0|1,0,1]=4 81 B8R1.49 C1=CCCC=CCC1 5996AA [0,1,0,1,0,0|1,0,1]=4 82 B8R1.49 C1=CCCC=CCC1 6196AH [0,1,0,1,0,0|1,0,1]=4 83 B8R1.1 CC1=CN=C(C=O)N1 9102AC [0,1,0,1,0,0|1,0,0]=3 84 B8R1.1 CC1=COC(C=O)=C1 2776AL [0,1,0,1,0,0|1,0,0]=3 85 B8R1.1 CC1=COC(C=O)=N1 4751AF [0,1,0,1,0,0|1,0,0]=3 86 B8R1.1 CC1=NN=C(C=O)S1 3263AJ [0,1,0,1,0,0|2,0,0]=4 87 B8R1.1 COC1=CC=C(Br)S1 8374AB [0,1,0,1,0,0|1,1,0]=4 88 B8R1.1 O=CC1=CC(F)=CS1 3616AB [0,1,0,1,0,0|1,0,0]=3 89 B8R1.1 O=CC1=CC=C(F)S1 2922AL [0,1,0,1,0,0|1,0,0]=3 90 B8R1.1 O=CC1=NNC(Br)=C1 7269AB [0,1,0,1,0,0|2,0,0]=4 91 B8R1.3 C[N+]1=CC=C(N)C=C1 9467AE [0,1,0,1,0,0|2,0,0]=4 92 B8R1.3 O=C1N=CC(Br)=CN1 2652AC [0,1,0,1,0,0|2,0,0]=4 93 B8R1.3 SC1=CC=C(Cl)C=N1 2810AE [0,1,0,1,0,0|1,1,0]=4 94 B8R1.50 CC1=CNC(C)=C1C 4993AB [0,1,0,1,0,0|2,0,0]=4 95 B8R1.50 NN1C(=O)C=CC1=O 4829AB [0,1,0,1,0,0|2,0,0]=4 96 B8R1.4 CC1=CC(C)=NC=N1 W3390 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [0,1,0,1,0,0|0,1,0]=3 98 B8R1.4 NC1=CC(O)=CC=C1 I722 [0,1,0,1,0,0|0,0,2]=4 99 B8R1.4 O=C1C=C(Cl)C=CO1 5500AA [0,1,0,1,0,0|1,0,0]=3 100 B8R1.4 SC1=CC(Cl)=NC=C1 Y5887 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.7 CC(=O)C1=COC=N1 9362AH [0,1,0,1,0,0|2,0,0]=4 102 B8R1.7 CC(=O)C1=NC=CO1 W8389 [0,1,0,1,0,0|1,0,1]=4 103 B8R1.7 CC(=O)C1=NOC=C1 4155AC [0,1,0,1,0,0|2,0,0]=4 104 B8R1.7 N=C(N)C1=CC=CO1 5380AE [0,1,0,1,0,0|1,0,1]=4 105 B8R1.7 N=C(N)C1=CC=CS1 1905AJ [0,1,0,1,0,0|1,1,0]=4 106 B8R1.7 NC(=O)C1=COC=N1 Z4456 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.7 O=C(O)C1=CSC=N1 2475AE [0,1,0,1,0,0|2,0,0]=4 108 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [0,1,0,1,0,0|1,0,0]=3 110 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [0,1,0,1,0,0|1,0,0]=3 111 B8R1.34 CC(=O)C=C1CCC1 0333AC [0,1,0,1,0,0|0,0,2]=4 112 B8R1.18 CC1=C(Br)OC(Br)=C1 B848 [0,1,0,1,0,0|2,0,0]=4