0 B8R1.50 CC1C(=O)CCC1=O 2218-1-X5 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.50 CN1CCN(C)C1=O 4H17-1-13 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.50 O=C1CCC(=O)N1Br 4H48-9-01 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.50 O=C1CCC(=O)N1Cl 4H48-5-01 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.50 O=C1CCC(=O)N1I P911-A-33 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.50 O=C1CCC(=O)N1O 4H48-1-M9 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.50 O=C1OCC(Cl)=C1Cl 2H25-5-0P [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [1,0,0,0,0,0|0,0,1]=2 8 B7R1.2 CC1=CC(=O)NO1 4H56-1-4S [1,0,0,0,0,0|2,0,1]=4 9 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [1,0,0,0,0,0|3,0,0]=4 15 B7R1.4 BrC1=C(Br)CCC1 1400-9-X1T [1,0,0,0,0,0|2,0,0]=3 16 B7R1.4 NC1CCSC1=O 8H70-5-Z1 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.4 NN1CCCC1=O 4H48-5-BN [1,0,0,0,0,0|2,0,0]=3 18 B7R1.4 O=C1CCCC1Cl 2217-5-04 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.4 O=C1NCCC1O 4H20-1-X1 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.4 O=C1OCCC1Br 2125-9-01 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.27 CCC1=C(C)CNC1=O 4H48-1-T3 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.3 C=CC(=O)OCCO 2324-1-12 [0,0,1,0,0,0|3,0,0]=4 23 B7R0.3 CNCCC(=O)NC 4148-1-31 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.3 COC(=O)CCCBr 2123-9-0H [0,0,1,0,0,0|3,0,0]=4 25 B7R0.3 COC(=O)CCCN 4158-5-18 [0,0,1,0,0,0|3,0,0]=4 26 B7R0.10 C=C(CBr)C(=O)OC 2324-9-00 [0,0,1,0,0,0|3,0,0]=4 27 B7R0.10 C=C(CO)C(=O)OC 2329-1-05 [0,0,1,0,0,0|3,0,0]=4 28 B7R0.10 CCC(Br)C(=O)OC 2123-9-13 [0,0,1,0,0,0|2,0,1]=4 29 B7R0.10 CC[C@@H](N)C(=O)OC 4158-5-R8 [0,0,1,0,0,0|2,0,1]=4 30 B7R0.10 COC(=O)C(=O)CBr 2129-9-X2 [0,0,1,0,0,0|2,0,0]=3 31 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,0,1,0,0,0|1,0,2]=4 32 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [0,0,1,0,0,0|2,0,0]=3 33 B7R1.15 O=C1C=C([O-])C1=O 2418-1-11 [0,0,0,0,1,0|1,0,2]=4 34 B9R1.3 CN1CCCN(C)C1=O 4H17-1-73 [0,0,0,0,0,1|3,0,0]=4 35 B9R1.3 CN1CCCN(C)C1=O 4H17-3-0K [0,0,0,0,0,1|3,0,0]=4 36 B9R1.69 NC1CCC(=O)NC1=O 4H48-5-0E [0,0,0,0,0,1|1,0,0]=2 37 B9R1.69 O=C1NNC(Br)C(=O)N1 4H48-9-W2 [0,0,0,0,0,1|3,0,0]=4 38 B6R0.1 CCCC(=O)NN 4156-1-15 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.1 CCOC(=O)C=O 2323-1-X0 [1,0,1,0,0,0|1,0,0]=3 40 B6R0.1 CCOC(=O)CCl 2123-5-01 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.1 CCOC(=O)CN 4158-5-25 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.1 CCOC(=O)CS 6161-1-03 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [1,0,1,0,0,0|1,0,1]=4 44 B6R0.4 CC(=O)CCCCl 2117-5-52 [1,0,1,0,0,0|1,0,1]=4 45 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,1,0,0,0|0,0,1]=3 46 B6R0.4 CCCOC(C)=O 2123-1-32 [1,0,1,0,0,0|1,0,1]=4 47 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,1,0,0,0|2,0,0]=4 48 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,1,0,0,0|2,0,0]=4 49 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,1,0,0,0|1,0,1]=4 50 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.6 CCCCCC=O 2115-1-X2 [1,0,1,0,0,0|0,0,1]=3 52 B6R0.3 CC(=O)C(=O)CBr 2118-9-01 [1,0,1,0,0,0|1,0,0]=3 53 B6R0.3 CCC(=O)C(C)C 2117-1-18 [1,0,1,0,0,0|0,0,1]=3 54 B6R0.3 CCC(N)C(=O)O 4157-1-16 [1,0,1,0,0,0|1,0,1]=4 55 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [1,0,1,0,0,0|1,0,1]=4 57 B6R0.3 CNC(=O)C(=O)O 4156-1-Y4 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.3 CNC(=O)C(C)N 4148-1-1M [1,0,1,0,0,0|2,0,0]=4 59 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [1,0,1,0,0,0|1,0,1]=4 60 B6R0.3 COC(=O)C(=O)Cl 2129-5-0K [1,0,1,0,0,0|2,0,0]=4 61 B6R0.3 COC(=O)C(C)Cl 2123-5-05 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.3 COC(=O)C(C)F 2123-3-1X [1,0,1,0,0,0|2,0,0]=4 63 B6R0.3 COC(=O)C(C)O 2129-1-70 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.3 COC(=O)[C@H](C)N 4158-5-45 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [1,0,1,0,0,0|1,0,1]=4 66 B6R0.3 O=C(O)C(=O)CBr 2129-9-X3 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [1,0,1,0,0,0|1,0,1]=4 68 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [1,0,1,0,0,0|1,0,1]=4 69 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,0,1,0,0,0|0,0,1]=3 70 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [1,0,1,0,0,0|1,0,1]=4 71 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [1,0,1,0,0,0|1,0,1]=4 72 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [1,0,1,0,0,0|1,0,1]=4 73 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,0,1,0,0,0|1,0,1]=4 74 B6R1.2 CC1CCCC1 1200-1-07 [2,0,0,0,0,0|0,0,2]=4 75 B6R1.2 CC1CCCO1 2H10-1-01 [2,0,0,0,0,0|1,0,1]=4 76 B6R1.2 CC1CCNC1 3H31-5-95 [2,0,0,0,0,0|1,0,1]=4 77 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [2,0,0,0,0,0|1,0,1]=4 78 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [2,0,0,0,0,0|1,0,1]=4 79 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [2,0,0,0,0,0|1,0,1]=4 80 B6R1.2 O=C1C=CCC1 2417-1-X0 [2,0,0,0,0,0|0,0,1]=3 81 B6R1.2 O=C1CCCC1 2217-1-01 [2,0,0,0,0,0|0,0,1]=3 82 B6R1.2 O=C1CCNC1 4H17-5-04 [2,0,0,0,0,0|1,0,1]=4 83 B6R1.2 O=C1CCOC1 2H17-1-Y1 [2,0,0,0,0,0|1,0,1]=4 84 B6R1.2 O=C1CCSC1 6H66-1-Y6 [2,0,0,0,0,0|1,0,1]=4 85 B6R1.2 O=C1NCCS1 8H70-1-8S [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 S=C1CCCN1 7H67-1-31 [2,0,0,0,0,0|1,1,0]=4 87 B8R0.6 C=CC(=O)OCCCC 2324-1-09 [0,1,1,0,0,0|1,0,0]=3 88 B8R0.6 CCCCCC(=O)CC 2117-1-X4 [0,1,1,0,0,0|1,0,1]=4 89 B8R0.6 CCCCOC(=O)CCl 2123-5-X2 [0,1,1,0,0,0|1,0,1]=4 90 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,1,1,0,0,0|1,0,1]=4 91 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,1,1,0,0,0|1,0,1]=4 92 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [1,1,0,0,0,0|1,0,1]=4 93 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [1,1,0,0,0,0|1,0,1]=4 94 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [1,1,0,0,0,0|1,0,0]=3 95 B8R1.1 O=C1NCC(CCl)O1 4H56-5-PH [1,1,0,0,0,0|2,0,0]=4 96 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.11 N#CC1=C(N)CCC1 3437-1-X0 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.11 N#CC1CCCC1=O 4237-1-X2 [1,1,0,0,0,0|0,0,2]=4 101 B8R1.19 CC1(C)CCC=[N+]1[O-] 4H45-1-19 [1,1,0,0,0,0|1,0,1]=4 102 B8R1.19 CC1(C)CONC1=O 4H56-1-417 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.63 CC1(C)CCC(=O)CC1=O 2218-1-13 [0,1,0,0,0,1|0,0,0]=2 104 B10R1.191 CC1=C(C)C(C)C(C)C1=O 2417-1-04 [0,2,0,0,0,0|1,0,1]=4 105 B8R1.2 O=CC1=COCCC1 2H15-1-X8 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.2 O=CC1CCC=CO1 2H15-1-1G [0,0,1,1,0,0|2,0,0]=4 107 B8R1.2 O=CC1CCCOC1 2H15-1-21 [0,0,1,1,0,0|0,0,2]=4 108 B8R1.2 O=CC1CCOCC1 P311-A-93 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.2 O=CN1CCCCC1 4H15-1-W5 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.5 CC1=CCCCC1=O 2417-1-01 [0,0,1,1,0,0|1,0,1]=4 111 B8R1.5 CC1CCCCC1=O 2217-1-1E [0,0,1,1,0,0|1,0,1]=4 112 B8R1.5 O=C1CCCCC1=O 2218-1-X7 [0,0,1,1,0,0|0,0,0]=2 113 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,0,1,1,0,0|1,0,1]=4 114 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,0,1,1,0,0|2,0,0]=4 115 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,0,1,1,0,0|2,0,0]=4 116 B8R2.38 O=C1CCC2CC12 2217-1-33 [1,0,0,1,0,0|0,0,1]=3 117 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 2H12-1-02 [0,0,0,1,0,1|0,0,2]=4 118 B8R0.23 CC(C)OC(=O)[C@@H](C)N 4158-5-RB [0,0,1,0,0,1|1,0,1]=4 119 B8R0.23 CC(C)OC(=O)[C@H](C)N 4158-5-06 [0,0,1,0,0,1|1,0,1]=4 120 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [1,0,0,0,0,1|0,0,1]=3 121 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [1,0,0,0,0,1|1,0,1]=4 122 B8R1.4 NC1=CC(=O)CCC1 4456-1-X0 [1,0,0,0,0,1|1,0,1]=4