0 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.1 CN1CCC(CN)C1 3H32-1-C0 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,0,0,0,0,0|2,0,0]=2 4 B8R1.1 O=C1NCC(CCl)O1 4H56-5-PH [0,0,0,0,0,0|2,0,0]=2 5 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 BrCC1CCCC1 1200-9-X1 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.1 BrCC1OCCO1 2H10-9-X1 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 CCC1=CC=CO1 2H10-1-17 [1,0,0,0,0,0|0,0,3]=4 9 B7R1.1 CNC1CCCC1 3231-1-03 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.1 COC1CCCC1 2207-1-01 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.1 ClCC1OCCO1 2608-5-0A [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 ICC1CCCC1 1200-H-X0 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.1 NCC1CCOC1 4H56-1-Q2 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 NCC1CCOC1 4H56-5-60 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 OCC1CC=CC1 2401-1-06 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 OCC1CCCC1 2301-1-X3 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 OCC1CCCN1 4H01-1-95 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 OCC1CCNC1 4H56-5-0C [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 OCC1CCOC1 2H10-1-34 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 OC[C@@H]1CCCN1 4H01-1-M2 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 OC[C@@H]1CCCO1 2H01-1-04 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.1 OC[C@@H]1CCNC1 4H56-1-R0 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 [C@H]1(CO)CCCN1 4H56-1-L1 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [1,0,0,0,0,0|1,0,1]=3 25 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [1,0,0,0,0,0|2,0,0]=3 31 B9R1.21 COC1CCC(OC)O1 2H08-1-07 [0,1,0,0,0,0|1,0,2]=4 32 B9R1.35 CC(C)[C@@H]1COC(=O)N1 4H48-1-R4 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,1,0,0,0,0|2,0,1]=4 34 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,1,0,0,0,0|1,0,1]=3 35 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 4H56-1-7T [0,1,0,0,0,0|2,0,0]=3 37 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [0,0,1,0,0,0|2,0,1]=4 38 B7R0.3 C#CCOC(=O)OC 2528-1-01 [0,0,1,0,0,0|1,0,2]=4 39 B7R0.3 C=CC(=O)OCCO 2324-1-12 [0,0,1,0,0,0|1,0,2]=4 40 B7R0.3 C=CCOC(=O)OC 2328-1-02 [0,0,1,0,0,0|1,0,2]=4 41 B7R0.3 CC\C=C\C(=O)OC 2323-1-17 [0,0,1,0,0,0|2,0,1]=4 42 B7R0.3 CC\C=C\C(=O)OC 2323-1-E2 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.3 CNCCC(=O)NC 4148-1-31 [0,0,1,0,0,0|3,0,0]=4 44 B7R0.3 COC(=O)CCCBr 2123-9-0H [0,0,1,0,0,0|3,0,0]=4 45 B7R0.3 COC(=O)CCCN 4158-5-18 [0,0,1,0,0,0|3,0,0]=4 46 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [0,0,1,0,0,0|0,0,2]=3 47 B7R0.4 CCCCCB(O)O 6160-1-07 [0,0,1,0,0,0|1,0,1]=3 48 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [0,0,1,0,0,0|1,0,0]=2 49 B7R0.4 CCCCNC(N)=S 7167-1-03 [0,0,1,0,0,0|2,1,0]=4 50 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [0,0,1,0,0,0|0,0,2]=3 51 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [0,0,1,0,0,0|1,0,2]=4 52 B7R0.4 NCCCCC(=O)O 4157-1-37 [0,0,1,0,0,0|1,0,0]=2 53 B7R0.4 NCCNCC(=O)O 4158-1-1D [0,0,1,0,0,0|2,0,0]=3 54 B7R0.4 NCCOCC(=O)O 4157-1-05 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [0,0,1,0,0,0|1,0,0]=2 56 B7R0.12 CCC(CC)N=C=S 7168-1-24 [0,0,1,0,0,0|1,1,1]=4 57 B9R2.39 O=C1NC2C=CC1C2 4H48-1-62 [0,0,0,1,0,0|1,0,2]=4 58 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 4H48-1-S8 [0,0,0,1,0,0|1,0,2]=4 59 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 4H48-1-R8 [0,0,0,1,0,0|1,0,2]=4 60 B9R2.68 C1CC2CNCC1O2 4H56-5-A5 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.1 CCC1CCC(=O)CC1 2217-1-12 [0,0,0,0,0,1|1,0,0]=2 62 B9R1.1 CCC1CCC(C)NC1 3H31-1-1D [0,0,0,0,0,1|2,0,1]=4 63 B9R1.1 CCN1CCC(=O)CC1 4H56-1-K4 [0,0,0,0,0,1|2,0,0]=3 64 B9R1.2 CCN1CCCC(=O)C1 4H56-5-N3 [0,0,0,0,0,1|2,0,0]=3 65 B6R0.1 CCCC(=O)NN 4156-1-15 [1,0,1,0,0,0|2,0,0]=4 66 B6R0.1 CCCC(O)CO 2104-1-0A [1,0,1,0,0,0|1,0,1]=4 67 B6R0.1 CCOC(=O)C=O 2323-1-X0 [1,0,1,0,0,0|1,0,1]=4 68 B6R0.1 CCOC(=O)CCl 2123-5-01 [1,0,1,0,0,0|1,0,0]=3 69 B6R0.1 CCOC(=O)CN 4158-5-25 [1,0,1,0,0,0|1,0,0]=3 70 B6R0.1 CCOC(=O)CS 6161-1-03 [1,0,1,0,0,0|1,0,0]=3 71 B6R0.1 CCOC(=O)NN 4156-1-55 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.1 CNC(=O)CCN 4148-1-13 [1,0,1,0,0,0|2,0,0]=4 73 B6R0.1 CNCC(=O)OC 4158-5-X0 [1,0,1,0,0,0|2,0,0]=4 74 B6R0.1 COC(=O)CCN 4158-1-02 [1,0,1,0,0,0|2,0,0]=4 75 B6R0.1 COC(=O)CSC 6166-1-06 [1,0,1,0,0,0|2,0,0]=4 76 B6R0.1 OCC[C@H](O)CO 2104-1-S1 [1,0,1,0,0,0|1,0,1]=4 77 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,0,1,0,0,0|1,0,0]=3 78 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [1,0,1,0,0,0|2,0,0]=4 80 B6R0.4 C#CCCC(=O)O 2521-1-02 [1,0,1,0,0,0|0,0,2]=4 81 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [1,0,1,0,0,0|1,0,0]=3 82 B6R0.4 C=CCOC(C)=O 2324-1-08 [1,0,1,0,0,0|0,0,2]=4 83 B6R0.4 CC(=O)CCCCl 2117-5-52 [1,0,1,0,0,0|2,0,0]=4 84 B6R0.4 CC(=O)NCCCl 4148-5-15 [1,0,1,0,0,0|2,0,0]=4 85 B6R0.4 CCC#CC(=O)O 2521-1-12 [1,0,1,0,0,0|0,0,2]=4 86 B6R0.4 CCCCB(O)O 6160-1-06 [1,0,1,0,0,0|1,0,1]=4 87 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,1,0,0,0|0,0,0]=2 88 B6R0.4 CCCOC(C)=O 2123-1-32 [1,0,1,0,0,0|0,0,0]=2 89 B6R0.4 CCCO[N+](=O)[O-] 4154-1-11 [1,0,1,0,0,0|2,0,0]=4 90 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,1,0,0,0|2,0,0]=4 91 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,1,0,0,0|2,0,0]=4 92 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,1,0,0,0|1,0,0]=3 93 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [1,0,1,0,0,0|2,0,0]=4 94 B6R0.6 C=CCCCCBr 1300-9-X5 [1,0,1,0,0,0|2,0,0]=4 95 B6R0.6 C=CCCCCO 2301-1-06 [1,0,1,0,0,0|2,0,0]=4 96 B6R0.6 CCCCCC=O 2115-1-X2 [1,0,1,0,0,0|0,0,0]=2 97 B6R0.6 CCCCCCCl 1100-5-29 [1,0,1,0,0,0|1,0,1]=4 98 B6R0.6 CCCCCCF 1100-3-61 [1,0,1,0,0,0|1,0,1]=4 99 B6R0.6 NCCCCCO 4156-1-0AT [1,0,1,0,0,0|1,0,1]=4 100 B6R0.6 NCCCCCO 4156-1-Z9 [1,0,1,0,0,0|1,0,1]=4 101 B6R0.6 OCCCCCBr 2101-9-0A [1,0,1,0,0,0|1,0,1]=4 102 B6R0.6 OCCCCCCl 2101-5-04 [1,0,1,0,0,0|1,0,1]=4 103 B6R0.9 CCC(CC)CN 3130-1-X0 [1,0,1,0,0,0|1,0,1]=4 104 B6R0.9 CCC(CC)NC 3131-5-01 [1,0,1,0,0,0|1,0,1]=4 105 B6R0.9 COC(C=O)OC 2115-1-X1 [1,0,1,0,0,0|2,0,0]=4 106 B6R1.2 CC1CCCC1 1200-1-07 [2,0,0,0,0,0|1,0,1]=4 107 B6R1.2 CC1CCCO1 2H10-1-01 [2,0,0,0,0,0|0,0,1]=3 108 B6R1.2 CC1CCNC1 3H31-5-95 [2,0,0,0,0,0|2,0,0]=4 109 B6R1.2 CC1OCCO1 2H08-1-01 [2,0,0,0,0,0|1,0,1]=4 110 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [2,0,0,0,0,0|1,0,1]=4 111 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [2,0,0,0,0,0|1,0,1]=4 112 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [2,0,0,0,0,0|2,0,0]=4 113 B6R1.2 O=C1C=CCC1 2417-1-X0 [2,0,0,0,0,0|1,0,1]=4 114 B6R1.2 O=C1CCCC1 2217-1-01 [2,0,0,0,0,0|1,0,0]=3 115 B6R1.2 O=C1CCNC1 4H17-5-04 [2,0,0,0,0,0|2,0,0]=4 116 B6R1.2 O=C1CCOC1 2H17-1-Y1 [2,0,0,0,0,0|2,0,0]=4 117 B6R1.2 O=C1CCSC1 6H66-1-Y6 [2,0,0,0,0,0|2,0,0]=4 118 B6R1.2 O=C1NCCS1 8H70-1-8S [2,0,0,0,0,0|1,1,0]=4 119 B6R1.2 S=C1CCCN1 7H67-1-31 [2,0,0,0,0,0|1,1,0]=4 120 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,1,1,0,0,0|2,0,0]=4 121 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,1,1,0,0,0|2,0,0]=4 122 B8R0.16 COC(CC(C)=O)OC 2117-1-X6 [0,1,1,0,0,0|2,0,0]=4 123 B8R0.19 CCC(=O)OC(=O)CC 2126-1-03 [0,1,1,0,0,0|1,0,1]=4 124 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 2123-5-S0 [0,1,1,0,0,0|1,0,1]=4 125 B8R0.1 C#CCOC(=O)OCC 2528-1-00 [0,1,1,0,0,0|0,0,2]=4 126 B8R0.1 CCOC(=O)CCCBr 2123-9-X0 [0,1,1,0,0,0|2,0,0]=4 127 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO 2115-1-X0 [0,1,1,0,0,0|1,0,0]=3 128 B8R0.6 C=CC(=O)OCCCC 2324-1-09 [0,1,1,0,0,0|0,0,2]=4 129 B8R0.6 CCCCCC(=O)CC 2117-1-X4 [0,1,1,0,0,0|1,0,0]=3 130 B8R0.6 CCCCCC(O)CC 2102-1-11 [0,1,1,0,0,0|1,0,1]=4 131 B8R0.6 CCCCOC(=O)CCl 2123-5-X2 [0,1,1,0,0,0|1,0,0]=3 132 B8R0.8 C=C(C)C(=O)OCCF 2324-3-X3 [0,1,1,0,0,0|1,0,1]=4 133 B8R0.8 C=C(C)C(=O)OCCO 2324-1-14 [0,1,1,0,0,0|1,0,1]=4 134 B8R0.8 C=CCOC(=O)[C@H](C)N 4158-5-SK [0,1,1,0,0,0|0,0,2]=4 135 B8R0.9 CC(=O)OCC(O)CCl 2129-5-08 [0,1,1,0,0,0|2,0,0]=4 136 B8R0.9 COC(=O)OCC(F)F 2128-3-03 [0,1,1,0,0,0|2,0,0]=4 137 B8R0.7 CCCCCCC(=O)O 2121-1-14 [0,1,1,0,0,0|0,0,0]=2 138 B8R0.7 CCCCCC[C@H](C)O 2102-1-S1 [0,1,1,0,0,0|1,0,1]=4 139 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [0,1,1,0,0,0|1,0,0]=3 140 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [0,1,1,0,0,0|0,0,0]=2 141 B8R1.8 BrCCC1OCCO1 2H10-9-59 [1,1,0,0,0,0|1,0,1]=4 142 B8R1.8 COC[C@@H]1CCCN1 4H56-1-S7 [1,1,0,0,0,0|1,0,1]=4 143 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [1,1,0,0,0,0|1,0,0]=3 144 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [1,1,0,0,0,0|1,0,0]=3 145 B8R1.18 O=C1OC(Cl)C(Cl)O1 2H28-5-01 [1,1,0,0,0,0|2,0,0]=4 146 B8R1.18 O=C1O[C@H](F)[C@@H](F)O1 2H28-3-E0 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.1 CCCC1CCC(=O)CC1 2217-1-X4 [0,1,0,0,0,1|1,0,0]=3 148 B10R1.1 CCOC1CCC(=O)CC1 2217-1-X0 [0,1,0,0,0,1|1,0,0]=3 149 B10R1.14 COC(=O)C1CCC(=O)C1 2229-1-X4 [0,2,0,0,0,0|1,0,1]=4 150 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 4H58-1-BE [0,2,0,0,0,0|1,0,1]=4 151 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 4H58-1-FM [0,2,0,0,0,0|1,0,1]=4 152 B10R1.55 O=C1OCC(C(F)(F)F)O1 2123-3-B5 [0,2,0,0,0,0|2,0,0]=4 153 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,0,1,1,0,0|2,0,0]=4 154 B8R1.4 CC1CCOC(C)O1 2H10-1-1D [0,0,1,1,0,0|0,0,2]=4 155 B8R1.34 CC(=O)NC1CNC1 4H48-5-5Z [0,0,1,1,0,0|2,0,0]=4 156 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,0,1,1,0,0|2,0,0]=4 157 B8R1.3 CN1CCC(O)CC1 4H56-1-XM [0,0,1,1,0,0|2,0,0]=4 158 B8R1.3 N[C@H]1CC[C@@H](O)CC1 4256-5-15 [0,0,1,1,0,0|1,0,1]=4 159 B8R1.3 N[C@H]1CC[C@H](O)CC1 4256-1-X6 [0,0,1,1,0,0|1,0,1]=4 160 B8R1.3 N[C@H]1CC[C@H](O)CC1 4H56-5-L1 [0,0,1,1,0,0|1,0,1]=4 161 B8R1.3 OC1CCC(O)CC1 2204-1-X0 [0,0,1,1,0,0|0,0,2]=4 162 B8R1.5 CC1CCCCC1=O 2217-1-1E [0,0,1,1,0,0|1,0,0]=3 163 B8R1.5 CC1CCCCC1O 2102-1-X1 [0,0,1,1,0,0|1,0,1]=4 164 B8R1.5 CC1CNCCC1O 4H56-5-B5 [0,0,1,1,0,0|2,0,0]=4 165 B8R1.5 NC1CCCNC1=O 4H48-1-3C [0,0,1,1,0,0|2,0,0]=4 166 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,0,1,1,0,0|1,0,0]=3 167 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,0,1,1,0,0|1,0,0]=3 168 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,0,1,1,0,0|0,0,0]=2 169 B8R1.22 O=C1CCCNCC1 P612-A-68 [0,0,1,1,0,0|2,0,0]=4 170 B8R1.22 O=C1CCNCCN1 4H17-1-01 [0,0,1,1,0,0|2,0,0]=4 171 B8R1.22 O=C1CCNCCN1 4H48-5-Z9 [0,0,1,1,0,0|2,0,0]=4 172 B8R1.22 O=C1CCOCCN1 4H48-1-0A5 [0,0,1,1,0,0|2,0,0]=4 173 B8R1.22 OC1CCCCCC1 2202-1-X0 [0,0,1,1,0,0|1,0,1]=4 174 B8R2.34 C1OC2CNC1C2 4H56-5-2E [1,0,0,1,0,0|1,0,1]=4 175 B8R2.38 O=C1CCC2CC12 2217-1-33 [1,0,0,1,0,0|1,0,0]=3 176 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 2H12-1-02 [0,0,0,1,0,1|1,0,0]=3 177 B10R2.335 O=S1OCC2(CC2)CO1 6H64-1-0B [0,0,0,1,0,1|2,0,0]=4 178 B10R2.71 O=C1CC2CCC(C1)N2 4H56-5-M6 [0,0,0,1,0,1|1,0,0]=3 179 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,0,1,0,1,0|2,0,0]=4 180 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [0,0,1,0,1,0|2,0,0]=4 181 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,0,1,0,1,0|2,0,0]=4 182 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [0,0,1,0,1,0|2,0,0]=4 183 B6R0.3 CON(C)C(C)=O 4148-1-44 [0,0,1,0,1,0|2,0,0]=4 184 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [0,0,1,0,1,0|0,0,2]=4 185 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,0,1,0,1,0|2,0,0]=4 186 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,0,1,0,1,0|2,0,0]=4 187 B6R1.6 BrCC1CCC1 1200-9-21 [1,0,0,0,1,0|1,0,1]=4 188 B6R1.6 NCC1CCC1 3230-5-03 [1,0,0,0,1,0|1,0,1]=4