0 B8R1.18 CC1=C(C)SC(N)=N1 7H70-1-Y3 [0,0,0,0,0,0|1,1,2]=4 1 B8R1.18 CC1=C(C)SC(N)=N1 7H70-5-74 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.18 CC1=CC(C)=NN1C 3H32-1-52 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.18 CC1=NC(Br)=CN1C 3H32-9-54 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.18 CC1=NC(C)=C(Br)S1 7H70-9-X2 [0,0,0,0,0,0|1,1,2]=4 5 B8R1.18 CC1=NN(C)C=C1Br 3H32-9-CQ [0,0,0,0,0,0|3,0,1]=4 6 B8R1.18 CC1=NN(C)C=C1N 3H30-1-95 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.2 CC1=CC(C)=NO1 4H44-1-44 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.2 CC1=CC=C(C)O1 2H10-1-X9 [1,0,0,0,0,0|1,0,2]=4 11 B7R1.2 CC1=CN=C(C)S1 7H66-1-X4 [1,0,0,0,0,0|0,1,2]=4 12 B7R1.2 CC1=CNC(C)=N1 3H31-1-Y7 [1,0,0,0,0,0|1,0,2]=4 13 B7R1.2 CC1=CSC(C)=N1 7H70-1-1M [1,0,0,0,0,0|0,1,2]=4 14 B7R1.2 CC1=NN(C)C=C1 3H32-1-2N [1,0,0,0,0,0|2,0,1]=4 15 B7R1.4 CC1=CNN=C1C 3H31-1-9B [1,0,0,0,0,0|2,0,1]=4 16 B7R1.4 CC1=CNN=C1C 6H75-1-00 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.22 CC1=NC(C)=C(CO)S1 8H01-1-Y3 [0,1,0,0,0,0|0,1,2]=4 18 B9R1.22 CC1=NC(CO)=C(C)O1 4H01-1-W9 [0,1,0,0,0,0|0,0,2]=3 19 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [0,0,1,0,0,0|1,0,2]=4 20 B7R0.2 COC(=O)C[C@@H](C)O 2129-1-36 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.5 CCOC(=O)C(C)=O 2129-1-01 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.5 CCOC(=O)C(C)Br 2123-9-03 [0,0,1,0,0,0|3,0,0]=4 23 B7R0.5 CCOC(=O)C(C)F 2123-3-61 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.5 CCOC(=O)[C@@H](C)F 2123-3-1Y [0,0,1,0,0,0|3,0,0]=4 25 B7R0.5 CCOC(=O)[C@H](C)O 2129-1-Y5 [0,0,1,0,0,0|2,0,0]=3 26 B7R0.7 CCCC(C)N=C=S 7168-1-23 [0,0,1,0,0,0|2,0,1]=4 27 B9R1.34 CC1=CC(C)=NC(C)=C1 3H32-1-W1 [0,0,0,0,0,1|1,0,2]=4 28 B9R1.69 CC1=CN=C(C)C(C)=C1 3H32-1-1F [0,0,0,0,0,1|1,0,2]=4 29 B6R0.1 CCC(C)N=C=S 7168-1-02 [1,0,1,0,0,0|1,0,1]=4 30 B6R0.2 CC(C)NC(C)C 3135-5-00 [1,0,1,0,0,0|2,0,0]=4 31 B6R0.2 CC(C)NC(C)C 4133-5-01 [1,0,1,0,0,0|2,0,0]=4 32 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,1,0,0,0|2,0,0]=4 33 B6R0.3 CCC(=O)C(C)C 2117-1-18 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.3 COC(=O)C(C)O 2129-1-70 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.3 CON(C)C(C)=O 4148-1-44 [1,0,1,0,0,0|2,0,0]=4 36 B6R1.2 CC1=COC=N1 4H56-1-0RS [2,0,0,0,0,0|0,0,2]=4 37 B6R1.2 CC1CCCO1 2H10-1-01 [2,0,0,0,0,0|1,0,1]=4 38 B6R1.2 CC1OCCO1 2H08-1-01 [2,0,0,0,0,0|1,0,1]=4 39 B6R1.2 O=C1CCOC1 2H17-1-Y1 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.5 CCOC(=O)C[C@H](C)O 2129-1-S9 [0,1,1,0,0,0|2,0,0]=4 41 B8R0.3 CCOC(=O)C(O)CC 2129-1-0E [0,1,1,0,0,0|2,0,0]=4 42 B8R0.14 CCOC(=O)C(C)(C)O 2129-1-Y6 [0,1,1,0,0,0|2,0,0]=4 43 B8R0.22 CCOC(CBr)OCC 2108-9-X1 [0,1,1,0,0,0|1,0,1]=4 44 B8R0.22 CCOC(CN)OCC 4156-1-X7 [0,1,1,0,0,0|1,0,1]=4 45 B8R0.22 CCOC(CO)OCC 2108-1-02 [0,1,1,0,0,0|1,0,1]=4 46 B8R1.11 CC1=C(CO)N=CO1 4H01-1-6R [1,1,0,0,0,0|0,0,2]=4 47 B10R1.329 CC1=NC(C)(C)CC(C)O1 4H44-1-0B [0,1,0,0,0,1|1,0,0]=3 48 B10R1.118 CC1OC(=O)C(C)OC1=O 2H25-1-2U [0,1,0,0,0,1|2,0,0]=4 49 B10R1.59 CC(=O)C1=C(C)N=C(C)O1 4H56-1-E4 [0,2,0,0,0,0|0,0,2]=4 50 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,0,1,1,0,0|2,0,0]=4 51 B8R1.4 CC1CCOC(C)O1 2H10-1-1D [0,0,1,1,0,0|1,0,1]=4 52 B8R1.4 CN1CCCC(O)C1 4H56-1-XP [0,0,1,1,0,0|2,0,0]=4 53 B8R1.5 CC1=NCCCN1C 3H32-1-6P [0,0,1,1,0,0|2,0,0]=4 54 B8R1.5 CC1CCCCC1=O 2217-1-1E [0,0,1,1,0,0|2,0,0]=4 55 B8R1.5 CC1CCCCC1O 2102-1-X1 [0,0,1,1,0,0|1,0,1]=4 56 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [0,0,1,1,0,0|2,0,0]=4 57 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [0,0,1,1,0,0|2,0,0]=4