0 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 CCCCCB(O)O 6160-1-07 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.4 CCCCNC(N)=S 7167-1-03 [0,0,0,0,0,0|2,1,0]=3 4 B7R0.4 CCC\C=C\B(O)O 6360-1-E4 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 COCCNC(N)=S 8168-1-16 [0,0,0,0,0,0|3,1,0]=4 8 B7R0.4 NCCCCC(=O)O 4157-1-37 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.4 NCCNCC(=O)O 4158-1-1D [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 NCCOCC(=O)O 4157-1-05 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.4 C#CCCC(=O)O 2521-1-02 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CC(=O)CCCCl 2117-5-52 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CC(=O)NCCCl 4148-5-15 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 CCC#CC(=O)O 2521-1-12 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.4 CCCCB(O)O 6160-1-06 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,0,0,0,0|0,0,0]=1 19 B6R0.4 CCCNC(N)=S 7167-1-23 [1,0,0,0,0,0|2,1,0]=4 20 B6R0.4 CCCOC(C)=O 2123-1-32 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CCCO[N+](=O)[O-] 4154-1-11 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 NC(=O)NCCO 4153-1-02 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 NCCNC(N)=O 4153-5-07 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.6 C#CCCCCCl 1500-5-01 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 C=CCCCCBr 1300-9-X5 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 C=CCCCCO 2301-1-06 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.6 CCCCCC=O 2115-1-X2 [1,0,0,0,0,0|0,0,0]=1 32 B6R0.6 CCCCCCCl 1100-5-29 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 CCCCCCF 1100-3-61 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.6 CCCCN=C=S 7168-1-X0 [1,0,0,0,0,0|1,1,1]=4 35 B6R0.6 ClCCCCCBr 1100-D-X1 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 ClCCCCCI 1100-M-X0 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 ICCCCCI 1100-H-00 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 N#CCCCCCl 3137-5-X4 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 NCCCCCN 3130-1-20 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.6 NCCCCCO 4156-1-0AT [1,0,0,0,0,0|1,0,1]=3 41 B6R0.6 NCCCCCO 4156-1-Z9 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 OCCCCCBr 2101-9-0A [1,0,0,0,0,0|1,0,1]=3 43 B6R0.6 OCCCCCCl 2101-5-04 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.6 OCCNCCO 4156-1-62 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.5 CCOC(=O)CC(=O)O 2123-1-84 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.5 CCOC(=O)CC(=O)[O-] 2123-1-02 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.5 CCOC(=O)CC(N)=O 4148-1-28 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.6 C=CC(=O)OCCCC 2324-1-09 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.6 CCCCCC(=O)CC 2117-1-X4 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.6 CCCCCC(O)CC 2102-1-11 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.6 CCCCNC(=S)NN 7167-1-02 [0,1,0,0,0,0|2,1,0]=4 52 B8R0.6 CCCCOC(=O)CCl 2123-5-X2 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.6 CCCOCC(O)CO 2104-1-31 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.6 COC(=O)CCN=C=S 8168-1-25 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.7 CCCCCCC(=O)O 2121-1-14 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.7 CCCCCC[C@H](C)O 2102-1-S1 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.7 CCCC\C=C\B(O)O 6360-1-X1 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.9 CC(=O)OCC(O)CCl 2129-5-08 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.9 NCC(=O)NCC(=O)O 4157-1-X3 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.21 CCCCCC(F)(F)F 1100-3-89 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,0,0,1,0,0|2,0,0]=3 68 B8R1.1 O=C1NCC(CCl)O1 4H56-5-PH [0,0,0,1,0,0|2,0,0]=3 69 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.4 CC1CC(O)CCO1 2H10-1-83 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.4 CC1CCCC(C)N1 3H31-1-Q2 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.4 CC1CCOC(C)O1 2H10-1-1D [0,0,0,1,0,0|2,0,1]=4 74 B8R1.4 CN1CCCC(O)C1 4H56-1-XP [0,0,0,1,0,0|2,0,1]=4 75 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [0,0,0,1,0,0|3,0,0]=4 76 B8R1.4 C[C@H]1CNC[C@@H](C)O1 4H31-1-X0 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.4 NC1=CC(=O)CCC1 4456-1-X0 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.4 NC1CCCC(O)C1 4256-1-02 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.4 O=C1CSCC(=O)O1 6H66-1-00 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.4 OC1CCCC(O)C1 2204-1-03 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [0,0,0,1,0,0|1,0,0]=2 83 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [0,0,0,1,0,0|1,0,0]=2 86 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [0,0,0,1,0,0|2,0,0]=3 88 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [0,0,0,1,0,0|0,0,2]=3 89 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [0,0,0,1,0,0|0,0,2]=3 91 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [0,0,0,1,0,0|1,0,0]=2 93 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [0,0,0,1,0,0|1,0,0]=2 96 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [0,0,0,1,0,0|1,0,0]=2 98 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [0,0,0,1,0,0|1,0,0]=2 99 B8R1.7 OB(O)C1CCCC1 6260-1-X0 [0,0,0,1,0,0|1,0,1]=3 100 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,0,0,1,0,0|1,0,0]=2 101 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,0,0,1,0,0|1,0,0]=2 102 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,0,0,1,0,0|0,0,0]=1 103 B8R1.22 O=C1CCCNCC1 P612-A-68 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.22 O=C1CCNCCN1 4H17-1-01 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.22 O=C1CCNCCN1 4H48-5-Z9 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.22 O=C1CCOCCN1 4H48-1-0A5 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.22 OC1CCCCCC1 2202-1-X0 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.34 CC(=O)NC1CNC1 4H48-5-5Z [0,0,0,1,0,0|3,0,0]=4 109 B8R1.34 O=C(O)C=C1CCC1 2421-1-08 [0,0,0,1,0,0|0,0,2]=3 110 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.72 CC1(O)CCNCC1 4H56-5-0B [0,0,0,1,0,0|2,0,1]=4 112 B8R1.72 O=S1(=O)CCCCN1 8H69-1-W9 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.72 O=S1(=O)CCNCC1 8H63-5-X5 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.72 O=S1(=O)CCNCC1 P911-A-87 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.72 OC1(O)CCNCC1 4H56-5-V1 [0,0,0,1,0,0|1,0,2]=4 116 B5R0.1 CC#CC(=O)O 2521-1-13 [2,0,0,0,0,0|0,0,2]=4 117 B5R0.1 CCCB(O)O 6160-1-X5 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 CCCC(=O)Cl 2116-5-09 [2,0,0,0,0,0|1,0,0]=3 119 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [2,0,0,0,0,0|0,0,1]=3 120 B5R0.1 CCCC(C)O 2102-1-52 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CCNC(N)=O 4153-1-X1 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 COCC(=O)Cl 2116-5-X4 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CSCC(=O)O 6166-1-05 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 NC(=O)CCBr 4148-9-00 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 NC(=O)CCCl 4148-5-02 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 O=C(O)CCO 2129-1-Y8 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.2 BrCCCCBr 1100-9-14 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.2 C#CCCCC 1500-1-X2 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.2 C#CCCCO 2501-1-01 [2,0,0,0,0,0|0,0,2]=4 130 B5R0.2 C=CCCCBr 1300-9-13 [2,0,0,0,0,0|1,0,1]=4 131 B5R0.2 C=CCCCC 1300-1-48 [2,0,0,0,0,0|0,0,1]=3 132 B5R0.2 CCC#CCO 2501-1-13 [2,0,0,0,0,0|0,0,2]=4 133 B5R0.2 CCCCC=O 2115-1-00 [2,0,0,0,0,0|0,0,0]=2 134 B5R0.2 CCCCCC 1100-1-18 [2,0,0,0,0,0|0,0,1]=3 135 B5R0.2 CCCCCF 1100-3-65 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.2 CCCCCN 3130-1-X6 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.2 CCNCCN 3130-1-X2 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.2 CCSCCCl 5166-5-01 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.2 COCCCBr 2107-9-02 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.2 CSCCCN 8166-1-X3 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.2 ClCCCCI 1100-M-14 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.2 FCCCCBr 1100-B-22 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.2 ICCCCI 1100-H-14 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.2 OCCCCF 2101-3-1V [2,0,0,0,0,0|1,0,0]=3 145 B5R0.2 SCCCCS 5161-1-05 [2,0,0,0,0,0|1,1,0]=4 146 B7R0.3 C=CCCC(=O)OC 2323-1-0J [1,1,0,0,0,0|0,0,2]=4 147 B7R0.3 CC\C=C\C(=O)OC 2323-1-17 [1,1,0,0,0,0|0,0,2]=4 148 B7R0.3 CC\C=C\C(=O)OC 2323-1-E2 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.3 CNCCC(=O)NC 4148-1-31 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.3 COC(=O)CCCBr 2123-9-0H [1,1,0,0,0,0|1,0,0]=3 151 B7R0.3 COC(=O)CCCN 4158-5-18 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [1,1,0,0,0,0|0,0,2]=4 153 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,1,0,0,0,0|0,0,0]=2 154 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [1,1,0,0,0,0|1,0,0]=3 157 B7R0.5 O=C(Cl)C(Br)CCBr 2116-D-00 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [1,1,0,0,0,0|1,0,0]=3 160 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [1,1,0,0,0,0|2,0,0]=4 161 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [1,1,0,0,0,0|0,0,2]=4 163 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.8 CCCCS(=O)(=O)Cl 6162-5-09 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.1 BrCCCCCCBr 1100-9-X7 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.1 C#CCCCCCC 1500-1-X3 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.1 C=CCCCCC=C 1300-1-43 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.1 C=CCCCCCBr 1300-9-X1 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.1 C=CCCCCCC 1300-1-08 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.1 CCCCCCCF 1100-3-71 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.1 CCCCCN=C=S 7168-1-22 [1,1,0,0,0,0|0,1,1]=4 172 B7R0.1 CCCNCCC#N 3137-1-11 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.1 COCCOCCO 2108-1-13 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.1 ClCCCCCCI 1100-M-04 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.1 ICCCCCCI 1100-H-X3 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.1 NCCCCCCO 4156-1-08 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.1 OCCCCCCBr 2101-9-X0 [1,1,0,0,0,0|0,0,1]=3 178 B7R0.1 OCCCCCCCl 2101-5-16 [1,1,0,0,0,0|0,0,1]=3 179 B7R0.1 OCCCCCCO 2104-1-35 [1,1,0,0,0,0|0,0,1]=3 180 B7R0.1 SCCCCCCS 5161-1-06 [1,1,0,0,0,0|0,1,1]=4 181 B7R0.7 CCCC(Br)CCC 1100-9-23 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.7 CCCC(Br)CCC 1100-9-23T [1,1,0,0,0,0|1,0,1]=4 183 B9R0.34 COCC(=O)CC(=O)OC 2123-1-34 [0,2,0,0,0,0|1,0,1]=4 184 B9R0.1 COC(=O)CCCC(C)=O 2129-1-1R [0,2,0,0,0,0|0,0,1]=3 185 B9R0.1 COC(=O)\C=C\CC(C)C 2323-1-X4 [0,2,0,0,0,0|0,0,2]=4 186 B9R0.8 CCCCC(N)C(=O)OC 4157-5-03 [0,2,0,0,0,0|0,0,0]=2 187 B9R0.8 COC(=O)C(Br)CCCBr 2123-9-X1 [0,2,0,0,0,0|1,0,0]=3 188 B9R0.8 COC(=O)C(N)CCSC 8166-5-03 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.46 COC(=O)CCCCCBr 2123-9-X8 [0,2,0,0,0,0|0,0,0]=2 190 B9R0.47 C=C(F)C(=O)OCCCC 2321-3-0A [0,2,0,0,0,0|2,0,0]=4 191 B9R0.47 CCCCOC(=O)C(F)F 2123-3-39 [0,2,0,0,0,0|2,0,0]=4 192 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-S6 [0,2,0,0,0,0|0,0,0]=2 193 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-X0 [0,2,0,0,0,0|0,0,0]=2 194 B9R0.2 C=CCCCCOC(C)=O 2324-1-06 [0,2,0,0,0,0|1,0,1]=4 195 B9R0.2 CC(=O)OCCCCCBr 2123-9-09 [0,2,0,0,0,0|1,0,0]=3 196 B9R0.2 CCCCCCCC(=O)O 2121-1-X9 [0,2,0,0,0,0|0,0,0]=2 197 B9R0.2 CCCCCCCC(N)=O 4148-1-0H [0,2,0,0,0,0|1,0,0]=3 198 B9R0.2 CCCCCCNC(N)=S 7167-1-16 [0,2,0,0,0,0|1,1,0]=4 199 B9R0.2 CCCCCCOC(=O)Cl 2116-5-10 [0,2,0,0,0,0|1,0,0]=3 200 B9R0.2 CCCCC\C=C\B(O)O 6360-1-E3 [0,2,0,0,0,0|1,0,1]=4 201 B9R0.2 NCCCCCCC(=O)O 4157-1-15 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.2 O=C(O)CCCCCCBr 2121-9-X1 [0,2,0,0,0,0|0,0,0]=2 203 B9R0.48 CCOC(=O)CCC(=O)Cl 2123-5-1G [0,2,0,0,0,0|1,0,1]=4 204 B9R0.48 CCOC(=O)CCC(C)=O 2129-1-17 [0,2,0,0,0,0|1,0,1]=4 205 B9R0.55 CC(=O)CCCCC(=O)O 2121-1-X0 [0,2,0,0,0,0|0,0,0]=2 206 B9R0.55 CN(C)CCCCC(=O)O 4133-5-02 [0,2,0,0,0,0|0,0,0]=2 207 B9R0.7 CC(=O)N(C)CCC(=O)O 4158-1-X3 [0,2,0,0,0,0|1,0,1]=4 208 B9R0.13 CCCCC(CC)C(=O)[O-] 2122-1-13 [0,2,0,0,0,0|0,0,1]=3 209 B9R0.42 COC(=O)C[C@H](N)C(=O)O 4157-5-S2 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.51 CCCCC(C)(C)C(=O)O 2121-1-11 [0,2,0,0,0,0|0,0,0]=2 211 B9R0.51 CCCCC(F)(F)C(=O)O 2121-3-96 [0,2,0,0,0,0|0,0,0]=2 212 B9R0.51 CCCCC(F)(F)C(=O)[O-] 2122-3-56 [0,2,0,0,0,0|0,0,1]=3 213 B9R0.56 O=C(O)CCCC(F)(F)F 2121-3-55 [0,2,0,0,0,0|1,0,0]=3 214 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [1,0,0,1,0,0|2,0,0]=4 218 B7R1.3 CC1=CCCCC1 1400-1-04 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 O=C1C=CCCC1 2417-1-X1 [1,0,0,1,0,0|1,0,1]=4 220 B7R1.3 O=C1C=CCCO1 2H25-1-78 [1,0,0,1,0,0|0,0,2]=4 221 B7R1.3 O=C1CCCCN1 4H48-1-1L [1,0,0,1,0,0|1,0,0]=3 222 B7R1.3 O=C1CCCCO1 2H25-1-X4 [1,0,0,1,0,0|0,0,0]=2 223 B7R1.3 O=C1CCCNC1 4H56-5-M8 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 O=C1CCCOC1 2H17-1-09 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 O=C1CCCSC1 6H66-1-40 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 O=C1CCNCC1 4H17-1-3B [1,0,0,1,0,0|2,0,0]=4 227 B7R1.3 O=C1CCNCC1 4H56-5-3R [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 O=C1CCOCC1 P911-A-16 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 O=C1CNCCN1 4H48-1-W4 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.3 O=C1COCCN1 4H58-1-05 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.3 O=C1OCCCO1 2H28-1-13 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.12 O=C(O)C1CC1F 2221-3-0B [1,0,0,1,0,0|1,0,0]=3 234 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.14 CC1(O)CCCC1 2201-1-01 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.14 O=S1(=O)CCCC1 6H70-1-05 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.14 O=S1(=O)CCCC1 6H70-1-05B [1,0,0,1,0,0|1,0,1]=4 238 B7R1.18 N=C(N)C1CCC1 3241-5-X0 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.18 O=C(O)C1CNC1 P911-A-52 [1,0,0,1,0,0|1,0,0]=3 241 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [1,0,0,1,0,0|1,0,0]=3 242 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [1,0,0,1,0,0|0,0,0]=2 243 B7R1.1 BrCC1CCCC1 1200-9-X1 [1,0,0,1,0,0|1,0,1]=4 244 B7R1.1 CNC1CCCC1 3231-1-03 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.1 COC1CCCC1 2207-1-01 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 ICC1CCCC1 1200-H-X0 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.1 NNC1CCCC1 P911-A-67 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.1 O=CC1CCOC1 2H15-1-1K [1,0,0,1,0,0|1,0,0]=3 249 B7R1.1 OCC1CCCC1 2301-1-X3 [1,0,0,1,0,0|0,0,1]=3 250 B7R1.1 OCC1CCCN1 4H01-1-95 [1,0,0,1,0,0|1,0,1]=4 251 B7R1.1 OCC1CCNC1 4H56-5-0C [1,0,0,1,0,0|1,0,1]=4 252 B7R1.1 OCC1CCOC1 2H10-1-34 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.1 OC[C@@H]1CCCN1 4H01-1-M2 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.1 OC[C@@H]1CCCO1 2H01-1-04 [1,0,0,1,0,0|1,0,1]=4 255 B7R1.1 OC[C@@H]1CCNC1 4H56-1-R0 [1,0,0,1,0,0|1,0,1]=4 256 B7R1.1 [C@H]1(CO)CCCN1 4H56-1-L1 [1,0,0,1,0,0|1,0,1]=4 257 B7R1.4 NC1CCSC1=O 8H70-5-Z1 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.4 NN1CCCC1=O 4H48-5-BN [1,0,0,1,0,0|2,0,0]=4 259 B7R1.4 O=C1CCCC1Cl 2217-5-04 [1,0,0,1,0,0|1,0,0]=3 260 B7R1.4 O=C1NCCC1O 4H20-1-X1 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.4 O=C1OCCC1Br 2125-9-01 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.24 C1CCCNCC1 3H31-1-1H [1,0,0,1,0,0|1,0,1]=4 263 B7R1.24 C1CCCOCC1 2H10-1-0X [1,0,0,1,0,0|0,0,1]=3 264 B7R1.24 C1CNCCOC1 4H56-1-EA [1,0,0,1,0,0|1,0,1]=4 265 B9R1.13 O=C(Cl)OC1CCCC1 2223-5-X0 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.13 O=C(O)CC1CCCC1 2221-1-Y3 [0,1,0,1,0,0|0,0,0]=2 267 B9R1.13 O=C(O)CN1CCCC1 4H21-5-Z6 [0,1,0,1,0,0|0,0,0]=2 268 B9R1.34 CC1CC(=O)CC(=O)C1 P612-A-64 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.41 CN1CCC[C@H]1C(=O)O 4H58-1-SW [0,1,0,1,0,0|0,0,0]=2 270 B9R1.137 CC(=O)CC(=O)C1CC1 2218-1-15 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.1 CCC1CCC(=O)CC1 2217-1-12 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.1 CCN1CCC(=O)CC1 4H56-1-K4 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.2 CCN1CCCC(=O)C1 4H56-5-N3 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.11 COC(=O)C1=CCCC1 2423-1-04 [0,1,0,1,0,0|0,0,2]=4 275 B9R1.11 COC(=O)C1CC=CC1 2423-1-X0 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.11 COC(=O)C1CCCC1 2223-1-48 [0,1,0,1,0,0|0,0,0]=2 277 B9R1.11 COC(=O)C1CCCN1 4H23-5-03 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.11 COC(=O)C1CCNC1 4H58-5-4A [0,1,0,1,0,0|1,0,0]=3 279 B9R1.11 COC(=O)C1NCCS1 8H23-5-05 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.11 COC(=O)[C@@H]1CCCN1 4H58-5-X8 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.11 COC(=O)[C@H]1CCCN1 4H56-5-R5 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.11 NCC(=O)N1CCCC1 4H58-5-22 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.11 O=C(CCl)N1CCCC1 4H48-5-35 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.50 O=C1CCCCCCC1 2217-1-X1 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.79 COC(=O)CC1COC1 2H23-1-52 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.89 COC1=NCCCCC1 4H07-1-73 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.118 CC1(C=O)CCCCC1 2215-1-X3 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.118 NC1(CO)CCCCC1 4256-1-X0 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.118 NCC1(O)CCCCC1 4256-5-59 [0,1,0,1,0,0|1,0,1]=4 290 B9R1.6 CC(=O)C1CCOCC1 2H17-1-Y6 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.6 CC(=O)N1CCNCC1 4H48-1-V8 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.6 CC(O)C1CCCCC1 2202-1-1H [0,1,0,1,0,0|1,0,1]=4 293 B9R1.6 N=C(N)N1CCCCC1 8H41-1-07 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.6 NC(=O)C1CCNCC1 4H48-1-D8 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.6 NC(=O)C1CCOCC1 4H48-1-H1 [0,1,0,1,0,0|1,0,0]=3 296 B9R1.6 NC(=O)N1CCNCC1 4H53-5-03 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.6 NC(=S)N1CCCCC1 7H67-1-06 [0,1,0,1,0,0|1,1,0]=4 298 B9R1.6 O=C(Cl)C1CCCCC1 2216-5-06 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.6 O=C(Cl)C1CCOCC1 P311-A-24 [0,1,0,1,0,0|1,0,0]=3 300 B9R1.6 O=C(O)C1=CCCCC1 2421-1-0A [0,1,0,1,0,0|0,0,1]=3 301 B9R1.6 O=C(O)C1=COCCC1 2H21-1-36 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.6 O=C(O)C1CC=CCC1 2421-1-00 [0,1,0,1,0,0|0,0,1]=3 303 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [0,1,0,1,0,0|0,0,0]=2 304 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [0,1,0,1,0,0|0,0,0]=2 305 B9R1.6 O=C(O)C1CCCOC1 2H21-1-12 [0,1,0,1,0,0|0,0,0]=2 306 B9R1.6 O=C(O)C1CCNCC1 4257-1-14 [0,1,0,1,0,0|0,0,0]=2 307 B9R1.6 O=C(O)C1CCOCC1 P911-A-47 [0,1,0,1,0,0|0,0,0]=2 308 B9R1.6 O=C(O)C1CNCCO1 4H58-5-8Y [0,1,0,1,0,0|1,0,0]=3 309 B9R1.6 O=C(O)C1CSCCN1 8H21-1-Y5 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.6 O=C(O)[C@@H]1CC=CCC1 2421-1-S0 [0,1,0,1,0,0|0,0,1]=3 311 B9R1.6 O=C(O)[C@@H]1CCCNC1 4H21-1-XV [0,1,0,1,0,0|0,0,0]=2 312 B9R1.6 O=C(O)[C@@H]1CNCCN1 4H21-1-S2 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.6 O=C(O)[C@@H]1CNCCN1 G311-A-13 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.6 O=C(O)[C@H]1CC=CCC1 2421-1-R0 [0,1,0,1,0,0|0,0,1]=3 315 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [0,1,0,1,0,0|0,0,0]=2 316 B9R1.6 O=C(O)[C@H]1CNCCN1 4H21-5-Z4 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.6 O=C(O)[C@H]1CNCCO1 4H58-5-RA [0,1,0,1,0,0|1,0,0]=3 318 B9R1.6 O=C(O)[C@H]1COCCN1 4H58-5-R9 [0,1,0,1,0,0|1,0,0]=3 319 B9R1.6 OB(O)C1CCCCC1 6260-1-01 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.35 CC(C)[C@@H]1COC(=O)N1 4H48-1-R4 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 4248-7-01 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,1,0,1,0,0|1,0,0]=3 324 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,1,0,1,0,0|1,0,0]=3 327 B9R1.35 O=C1CC(C(=O)O)CN1 4H58-1-24 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,1,0,1,0,0|1,0,1]=4 329 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 4H56-1-7T [0,1,0,1,0,0|2,0,0]=4 332 B9R1.110 NC(C(=O)O)C1CCC1 4257-1-07 [0,1,0,1,0,0|0,0,0]=2 333 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-5-S3 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H57-5-R3 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.10 NC1CCS(=O)(=O)CC1 8H63-5-58 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.19 O=S(=O)(Cl)C1CCCC1 P311-A-17 [0,1,0,1,0,0|1,0,1]=4 337 B9R2.25 O=C1OC(=O)C2CC12 2H26-1-X0 [0,0,0,2,0,0|1,0,1]=4