0 B10R1.18 CC(=O)NC1CCNCC1 4H48-1-5B [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 NC(=O)CN1CCNCC1 4H48-5-37 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 NC(=O)CN1CCOCC1 4H48-1-H2 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 NC(=O)NC1CCNCC1 4H53-5-01 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 NC(=S)NC1CCCCC1 7267-1-03 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.18 O=C(Cl)CC1CCOCC1 2H16-5-X5 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 O=C(O)CC1CCCCC1 2221-1-18 [0,0,0,0,0,0|0,0,0]=0 7 B10R1.18 O=C(O)CC1CCNCC1 4H21-1-92 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.18 O=C(O)CC1CCOCC1 2H21-1-Z2 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 O=C(O)CN1CCCCC1 4H56-5-Y4 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 O=C(O)CN1CCNCC1 4H57-1-W4 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 O=C(O)CN1CCOCC1 4H21-5-Z7 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 C=CCN1CCNCC1 3932-1-X2 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.8 CNCC1CCOCC1 4H56-1-XZ [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 FCCC1CCNCC1 3H31-7-50 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 N#CCN1CCCCC1 3H37-1-V3 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 NCCN1CCCCC1 3H30-1-1V [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 NNCC1CCCCC1 3239-5-01 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 O=CCC1CCCCC1 2215-1-X1 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.8 OCCC1CCCNC1 4H01-5-0J [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 OCCC1CCNCC1 4H56-1-UP [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 OCCN1CCNCC1 4H56-1-7G [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 S=C=NC1CCCCC1 7268-1-05 [1,0,0,0,0,0|1,1,1]=4 23 B11R1.20 CN1CCC(CC(=O)O)CC1 4H58-1-D1 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.20 CN1CCC(CC(=O)O)CC1 4H58-5-08 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.20 CN1CCN(CC(=O)O)CC1 4H58-1-28 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.36 CC(C(=O)O)N1CCNCC1 4H57-1-W3 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.36 O=C(O)C(=O)N1CCNCC1 4H58-1-33 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.40 COC(=O)CC1CCNCC1 4H23-1-7Z [0,1,0,0,0,0|1,0,0]=2 29 B11R1.40 COC(=O)CC1CCNCC1 4H23-5-V8 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.40 NNC(=S)NC1CCCCC1 7267-1-02 [0,1,0,0,0,0|2,1,0]=4 31 B11R1.40 N\C(CN1CCCCC1)=N/O 4H47-1-Y0 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.40 O=C(CCl)NC1CCCCC1 4248-5-03 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.2 CC(=O)OCCCCCBr 2123-9-09 [0,0,1,0,0,0|3,0,0]=4 34 B9R0.2 CCCCCCCC(=O)O 2121-1-X9 [0,0,1,0,0,0|0,0,0]=1 35 B9R0.2 CCCCCCCC(N)=O 4148-1-0H [0,0,1,0,0,0|1,0,0]=2 36 B9R0.2 CCCCCCNC(N)=S 7167-1-16 [0,0,1,0,0,0|2,1,0]=4 37 B9R0.2 CCCCCCOC(=O)Cl 2116-5-10 [0,0,1,0,0,0|2,0,0]=3 38 B9R0.2 NCCCCCCC(=O)O 4157-1-15 [0,0,1,0,0,0|1,0,0]=2 39 B9R0.2 O=C(O)CCCCCCBr 2121-9-X1 [0,0,1,0,0,0|1,0,0]=2 40 B11R2.678 OC1CC2CCCC(C1)N2 4H56-1-186 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.1852 O=C(O)C1C2CCCCC21 2221-1-X7 [0,0,0,1,0,0|0,0,0]=1 42 B9R1.6 CC(=O)C1CCOCC1 2H17-1-Y6 [0,0,0,0,1,0|2,0,0]=3 43 B9R1.6 CC(=O)N1CCNCC1 4H48-1-V8 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.6 CC(O)C1CCCCC1 2202-1-1H [0,0,0,0,1,0|1,0,1]=3 45 B9R1.6 C[C@@H](N)C1CCCCC1 3230-1-R0 [0,0,0,0,1,0|2,0,1]=4 46 B9R1.6 N=C(N)N1CCCCC1 8H41-1-07 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.6 NC(=O)C1CCNCC1 4H48-1-D8 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.6 NC(=O)C1CCOCC1 4H48-1-H1 [0,0,0,0,1,0|2,0,0]=3 49 B9R1.6 NC(=O)N1CCNCC1 4H53-5-03 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.6 NC(=S)N1CCCCC1 7H67-1-06 [0,0,0,0,1,0|2,1,0]=4 51 B9R1.6 O=C(Cl)C1CCCCC1 2216-5-06 [0,0,0,0,1,0|1,0,0]=2 52 B9R1.6 O=C(Cl)C1CCOCC1 P311-A-24 [0,0,0,0,1,0|2,0,0]=3 53 B9R1.6 O=C(O)C1=CCCCC1 2421-1-0A [0,0,0,0,1,0|0,0,2]=3 54 B9R1.6 O=C(O)C1=COCCC1 2H21-1-36 [0,0,0,0,1,0|1,0,2]=4 55 B9R1.6 O=C(O)C1CC=CCC1 2421-1-00 [0,0,0,0,1,0|0,0,2]=3 56 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [0,0,0,0,1,0|1,0,0]=2 57 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [0,0,0,0,1,0|1,0,0]=2 58 B9R1.6 O=C(O)C1CCCOC1 2H21-1-12 [0,0,0,0,1,0|1,0,0]=2 59 B9R1.6 O=C(O)C1CCNCC1 4257-1-14 [0,0,0,0,1,0|1,0,0]=2 60 B9R1.6 O=C(O)C1CCOCC1 P911-A-47 [0,0,0,0,1,0|1,0,0]=2 61 B9R1.6 O=C(O)C1CNCCO1 4H58-5-8Y [0,0,0,0,1,0|2,0,0]=3 62 B9R1.6 O=C(O)C1CSCCN1 8H21-1-Y5 [0,0,0,0,1,0|2,0,0]=3 63 B9R1.6 O=C(O)[C@@H]1CC=CCC1 2421-1-S0 [0,0,0,0,1,0|0,0,2]=3 64 B9R1.6 O=C(O)[C@@H]1CCCNC1 4H21-1-XV [0,0,0,0,1,0|1,0,0]=2 65 B9R1.6 O=C(O)[C@@H]1CNCCN1 4H21-1-S2 [0,0,0,0,1,0|2,0,0]=3 66 B9R1.6 O=C(O)[C@@H]1CNCCN1 G311-A-13 [0,0,0,0,1,0|2,0,0]=3 67 B9R1.6 O=C(O)[C@H]1CC=CCC1 2421-1-R0 [0,0,0,0,1,0|0,0,2]=3 68 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [0,0,0,0,1,0|1,0,0]=2 69 B9R1.6 O=C(O)[C@H]1CNCCN1 4H21-5-Z4 [0,0,0,0,1,0|2,0,0]=3 70 B9R1.6 O=C(O)[C@H]1CNCCO1 4H58-5-RA [0,0,0,0,1,0|2,0,0]=3 71 B9R1.6 O=C(O)[C@H]1COCCN1 4H58-5-R9 [0,0,0,0,1,0|2,0,0]=3 72 B9R1.6 OB(O)C1CCCCC1 6260-1-01 [0,0,0,0,1,0|1,0,1]=3 73 B9R1.13 O=C(Cl)OC1CCCC1 2223-5-X0 [0,0,0,0,1,0|2,0,0]=3 74 B9R1.13 O=C(O)CC1CCCC1 2221-1-Y3 [0,0,0,0,1,0|0,0,0]=1 75 B9R1.13 O=C(O)CN1CCCC1 4H21-5-Z6 [0,0,0,0,1,0|1,0,0]=2 76 B11R1.91 O=C(O)CCC1CCNCC1 4H21-1-49 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.91 O=C(O)CCN1CCOCC1 4H21-5-14 [0,0,0,0,0,1|2,0,0]=3 78 B11R1.91 O=C(O)CCN1CCOCC1 4H21-9-32 [0,0,0,0,0,1|2,0,0]=3 79 B8R0.4 C=CCCCCCCBr 1300-9-X2 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.4 C=CCCCCCCO 2301-1-13 [1,0,1,0,0,0|2,0,0]=4 81 B8R0.4 CCCCCCCCBr 1100-9-08 [1,0,1,0,0,0|1,0,1]=4 82 B8R0.4 CCCCCCCCF 1100-3-81 [1,0,1,0,0,0|1,0,1]=4 83 B8R0.4 CCCCCCCCN 3130-1-08 [1,0,1,0,0,0|1,0,1]=4 84 B8R0.4 OCCCCCCCO 2104-1-36 [1,0,1,0,0,0|1,0,1]=4 85 B8R0.7 CCCCCCC(=O)O 2121-1-14 [1,0,1,0,0,0|0,0,0]=2 86 B8R0.7 CCCCCC[C@H](C)O 2102-1-S1 [1,0,1,0,0,0|1,0,1]=4 87 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [1,0,1,0,0,0|2,0,0]=4 88 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [1,0,1,0,0,0|1,0,0]=3 89 B8R1.2 BrCC1CCOCC1 P311-A-04 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 CCC1CCNCC1 3H31-5-14 [2,0,0,0,0,0|1,0,1]=4 91 B8R1.2 CNC1CCCCC1 3231-1-04 [2,0,0,0,0,0|1,0,1]=4 92 B8R1.2 ClCC1CCCCO1 2H10-5-00 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.2 FCC1CCCNC1 3H31-7-1L [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 ICC1CCOCC1 2H10-H-03 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 N#CC1CCCCC1 3237-1-Y9 [2,0,0,0,0,0|1,0,1]=4 96 B8R1.2 NCC1CCCCN1 3H30-1-5K [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 NCC1CCCCO1 4H56-1-5C [2,0,0,0,0,0|2,0,0]=4 98 B8R1.2 NCC1CCCCO1 4H56-5-G2 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.2 NCC1CCCNC1 3H30-1-LF [2,0,0,0,0,0|2,0,0]=4 100 B8R1.2 NCC1CCOCC1 4H30-5-19 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.2 NCC1CCOCC1 P612-A-48 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.2 NNC1CCCCC1 3239-5-X0 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 O=CC1CCCOC1 2H15-1-21 [2,0,0,0,0,0|1,0,0]=3 104 B8R1.2 O=CC1CCOCC1 P311-A-93 [2,0,0,0,0,0|1,0,0]=3 105 B8R1.2 O=CN1CCCCC1 4H15-1-W5 [2,0,0,0,0,0|1,0,0]=3 106 B8R1.2 OCC1CCCCO1 2H01-1-07 [2,0,0,0,0,0|1,0,0]=3 107 B8R1.2 OCC1CCNCC1 4H56-1-04 [2,0,0,0,0,0|1,0,0]=3 108 B8R1.2 OCC1CCOCC1 2H01-1-X5 [2,0,0,0,0,0|1,0,0]=3 109 B8R1.2 OC[C@H]1CNCCN1 4H33-5-R0 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.2 OC[C@H]1COCCN1 4H56-5-SE [2,0,0,0,0,0|2,0,0]=4 111 B8R1.2 [C-]#[N+]C1CCCCC1 3237-1-00 [2,0,0,0,0,0|1,0,1]=4 112 B10R0.4 CCCCCCCNC(N)=S 7167-1-13 [0,1,1,0,0,0|1,1,0]=4 113 B10R0.4 NCCCCCCCC(=O)O 4157-1-28 [0,1,1,0,0,0|0,0,0]=2 114 B10R0.4 O=C(O)CCCCCCCBr 2121-9-X4 [0,1,1,0,0,0|0,0,0]=2 115 B10R0.74 CCCCCCOC(=O)CS 6161-1-X0 [0,1,1,0,0,0|1,1,0]=4 116 B10R0.97 O=C(O)CCCCCC(=O)O 2121-1-Y1 [0,1,1,0,0,0|1,0,1]=4 117 B10R0.44 COC(=O)CC(C)CC(=O)O 2123-1-0E [0,1,1,0,0,0|1,0,1]=4 118 B10R0.79 O=C(O)CN(CCO)CCO 4156-1-Y8 [0,1,1,0,0,0|2,0,0]=4 119 B10R1.1 C[C@H]1CC[C@H](N=C=O)CC1 4249-1-04 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.17 OCCCN1CCCCC1 4H01-1-M6 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.17 S=C=NCC1CCCCC1 7268-1-04 [1,1,0,0,0,0|0,1,1]=4 122 B10R1.13 CC(=O)N1CCC(N)CC1 4H48-1-L5 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.13 CC(=O)N1CCC(O)CC1 4H20-1-07 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.13 CC1CCC(C(=O)O)CC1 2221-1-0A [0,1,0,0,1,0|0,0,0]=2 125 B10R1.13 CN1CCC(C(=O)O)CC1 4H21-5-Z0 [0,1,0,0,1,0|1,0,0]=3 126 B10R1.13 CN1CCC(C(=O)O)CC1 P311-A-68 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,1,0,0,1,0|0,0,0]=2 128 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,1,0,0,1,0|0,0,0]=2 129 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,1,0,0,1,0|0,0,0]=2 130 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,1,0,0,1,0|0,0,1]=3 131 B10R1.28 O=S(=O)(Cl)C1CCCCC1 6262-5-X2 [0,1,0,0,1,0|1,0,1]=4 132 B10R1.28 O=S(=O)(Cl)C1CCCCC1 6262-5-X3 [0,1,0,0,1,0|1,0,1]=4 133 B10R1.61 CN1CCCCC1C(=O)O 4H21-5-Z2 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.113 CC(=O)N1CCCC(O)C1 4H20-1-06 [0,1,0,0,1,0|2,0,0]=4 135 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,1,0,0,1,0|1,0,0]=3 136 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,1,0,0,1,0|0,0,0]=2 137 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 4H58-1-S05 [0,1,0,0,1,0|1,0,1]=4 138 B10R1.363 CC1(C(=O)O)CCCCC1 2221-1-X0 [0,1,0,0,1,0|0,0,0]=2 139 B10R1.363 CC1(C(=O)O)CCCNC1 4H58-1-BF [0,1,0,0,1,0|1,0,0]=3 140 B10R1.363 CC1(C(=O)O)CCCNC1 4H58-5-94 [0,1,0,0,1,0|1,0,0]=3 141 B10R1.363 NC1(C(=O)O)CCCCC1 4257-1-17 [0,1,0,0,1,0|0,0,0]=2 142 B10R1.363 O=C(O)C1(O)CCCCC1 2229-1-0U [0,1,0,0,1,0|0,0,0]=2 143 B10R1.23 N[C@H](C(=O)O)C1CCCC1 4257-1-S5 [0,1,0,0,1,0|0,0,0]=2 144 B10R1.27 NCC(=O)NC1CCCC1 4H58-5-21 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.27 O=C(CCl)NC1CCCC1 4248-5-02 [0,1,0,0,1,0|2,0,0]=4 146 B12R1.21 CN1CCN(CCC(=O)O)CC1 4H58-1-47 [0,1,0,0,0,1|2,0,0]=4 147 B12R1.27 COC(=O)CCN1CCOCC1 4H23-1-37 [0,1,0,0,0,1|2,0,0]=4 148 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 4257-1-S2 [0,1,0,0,0,1|0,0,0]=2 149 B12R1.32 CCOC(=O)CC1CCCCC1 2223-1-0T [0,2,0,0,0,0|0,0,0]=2 150 B12R1.32 CCOC(=O)CC1CCCNC1 4H23-1-W6 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.32 CCOC(=O)CC1CCNCC1 4H23-1-W7 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.32 CCOC(=O)CC1CCOCC1 2H23-1-24 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.32 CCOC(=O)CN1CCNCC1 4H23-1-W9 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.66 O=C(O)CCC1CCCC1 2221-1-53 [0,0,1,1,0,0|0,0,0]=2 155 B10R1.66 O=C(O)CCN1CCCC1 4H57-5-02 [0,0,1,1,0,0|1,0,0]=3 156 B10R1.348 O=C(O)C1CCCCCC1 2221-1-X8 [0,0,1,1,0,0|0,0,0]=2 157 B10R2.484 C1CC2(CCN1)CCO2 4H22-1-08 [1,0,0,1,0,0|1,0,1]=4 158 B10R2.71 O=C1CC2CCC(C1)N2 4H56-5-M6 [0,0,0,1,1,0|2,0,0]=4 159 B12R2.2918 O=C1CC2(CCNCC2)CN1 4H48-5-AH [0,0,0,1,0,1|2,0,0]=4 160 B12R2.2918 O=C1CCC2(CCNCC2)O1 4H56-5-M7 [0,0,0,1,0,1|1,0,0]=3 161 B12R2.2918 O=C1COC2(CCNCC2)C1 4H33-5-1A [0,0,0,1,0,1|2,0,0]=4 162 B12R2.1154 CN1C2CCCC1CC(=O)C2 4H56-1-AG [0,1,0,1,0,0|2,0,0]=4 163 B12R2.1661 O=C(O)CN1CC2CCC1C2 4H21-1-NF [0,1,0,1,0,0|1,0,0]=3 164 B8R1.8 OCCN1CCCC1 4H01-1-C9 [1,0,0,0,1,0|1,0,1]=4 165 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [0,0,0,0,2,0|1,0,0]=3 166 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [0,0,0,0,2,0|2,0,0]=4 167 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [0,0,0,0,2,0|2,0,0]=4 168 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [0,0,0,0,2,0|1,0,0]=3 169 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [0,0,0,0,2,0|2,0,0]=4 170 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [0,0,0,0,2,0|2,0,0]=4 171 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [0,0,0,0,2,0|0,0,2]=4 172 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [0,0,0,0,2,0|0,0,2]=4 173 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [0,0,0,0,2,0|1,0,0]=3 174 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [0,0,0,0,2,0|1,0,0]=3 175 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [0,0,0,0,2,0|2,0,0]=4 176 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [0,0,0,0,2,0|1,0,0]=3 177 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [0,0,0,0,2,0|1,0,0]=3 178 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [0,0,0,0,2,0|1,0,0]=3 179 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [0,0,0,0,2,0|1,0,0]=3 180 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [0,0,0,0,2,0|1,0,0]=3 181 B8R1.7 OB(O)C1CCCC1 6260-1-X0 [0,0,0,0,2,0|1,0,1]=4 182 B8R1.34 O=C(O)C=C1CCC1 2421-1-08 [0,0,0,0,2,0|0,0,2]=4 183 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [0,0,0,0,2,0|1,0,0]=3 184 B10R1.85 C=CCN1CCCNCC1 3H32-1-65 [1,0,0,0,0,1|2,0,0]=4