0 B7R0.4 CNCCOC(C)=O 4133-5-03 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 C\C=C\C=C\C(C)=O 2317-1-0E [0,0,0,0,0,0|0,0,4]=4 2 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.4 O=C(O)CCCCO 2120-1-00 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 CN(C)CCCBr 3132-9-02 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 CCNCCOC 4156-1-3Q [1,0,0,0,0,0|2,0,0]=3 6 B8R0.5 CCCC(=O)CC(C)C 2117-1-0K [0,1,0,0,0,0|1,0,2]=4 7 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,1,0,0,0,0|1,0,1]=3 9 B8R0.6 CCCSCC(=O)OC 6166-1-0C [0,1,0,0,0,0|1,0,0]=2 10 B8R0.6 CNCCCC(=O)OC 4133-5-00 [0,1,0,0,0,0|1,0,0]=2 11 B8R0.6 COC(=O)OCCCF 2128-3-97 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.7 C=C(C)CCCCCC 1300-1-30 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.7 COCCCCB(O)O 6160-1-0F [0,1,0,0,0,0|2,0,1]=4 15 B8R0.7 NOCCCCC(=O)O 4121-9-01 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.21 COCCCS(=O)(=O)O 6164-1-20 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.21 O=P(O)(O)CCCCBr 6177-9-19 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,0,0,1,0,0|1,0,2]=4 20 B8R1.1 CCN1CC[C@H](N)C1 3H33-5-24 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.1 CN1CCC(CCl)C1 3H32-5-HY [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 CN1CC[C@@H](CO)C1 4H56-1-RZ [0,0,0,1,0,0|3,0,0]=4 23 B8R1.1 CN1CC[C@H](CN)C1 3H30-1-DU [0,0,0,1,0,0|3,0,0]=4 24 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,0,0,1,0,0|2,0,0]=3 25 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,0,0,1,0,0|2,0,0]=3 28 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 CC1CCNC(C)C1 3H33-5-1C [0,0,0,1,0,0|2,0,1]=4 30 B8R1.4 CN1CCCC(Br)C1 3H32-9-A9 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.4 C[C@@H]1CN(C)CCN1 4H22-1-67 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H31-1-2B [0,0,0,1,0,0|1,0,2]=4 34 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [0,0,0,1,0,0|1,0,2]=4 35 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,0,0,1,0,0|1,0,0]=2 36 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.4 O=C1CSCC(=O)C1 6H18-1-01 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.6 CCNC1CN(C)C1 3H31-1-B4 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.6 CCOC1CC(N)C1 4256-5-0D [0,0,0,1,0,0|2,0,1]=4 40 B8R1.6 CN1CC(CCO)C1 4H56-1-168 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.6 COCC1CC(N)C1 4256-1-0K [0,0,0,1,0,0|2,0,1]=4 42 B8R1.6 COC[C@H]1C[C@@H](N)C1 4256-5-Z4 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.22 C=C1OCCCCO1 2H10-1-71 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.22 CC1CCCCCN1 3H31-1-F4 [0,0,0,1,0,0|1,0,1]=3 49 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,0,0,1,0,0|2,0,0]=3 52 B8R1.34 CC(=O)C=C1COC1 2H17-1-0B [0,0,0,1,0,0|1,0,2]=4 53 B8R1.34 CN(C)CC1CNC1 3H31-5-2P [0,0,0,1,0,0|3,0,0]=4 54 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,0,0,1,0,0|2,0,0]=3 56 B8R1.35 CC(C)CNC1CC1 3231-1-08 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.36 OCCCCC1CN1 4H56-1-513 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.72 CC1(F)CCNCC1 3H31-7-65 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.72 CC1(O)CCOCC1 2H10-1-Z0 [0,0,0,1,0,0|1,0,2]=4 60 B5R0.1 NCCC(N)=O 4148-5-0C [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 CNCCSC 7166-5-02 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 FCCCCF 1100-3-44 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.2 NCCCCCl 3130-5-07 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,1,0,0,0,0|0,0,0]=2 67 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.1 CCCCSCCO 6166-1-0L [1,1,0,0,0,0|0,0,2]=4 69 B9R0.53 CC(C)CC(C)CC(C)C 1100-1-14 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.5 CCOC(=O)CCCC#N 4137-1-0Y [0,2,0,0,0,0|1,0,1]=4 71 B9R0.5 CCOC(=O)OCCCF 2128-3-A7 [0,2,0,0,0,0|2,0,0]=4 72 B9R0.5 [C-]#[N+]CCCC(=O)OCC 4137-1-0Q [0,2,0,0,0,0|1,0,1]=4 73 B9R0.24 CCC(C)CCC(C)CC 1100-1-X1 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 2104-1-0G [0,2,0,0,0,0|0,0,2]=4 75 B9R0.24 COC(=O)CCS(=O)OC 6165-1-07 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.46 COC(=O)CCCN=[N+]=[N-] 4142-1-00 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.47 C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.47 C#CCCC[C@H](N)C(=O)O 4557-1-S0 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.47 C=CCCC[C@H](N)C(=O)O 4357-1-S2 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.47 CCCCCC(C)C(C)C 1100-1-08 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.38 COCCCCS(=O)(=O)Cl 6162-5-07 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.48 CCCC(Cl)CCC(=O)Cl 2116-5-26 [0,2,0,0,0,0|1,0,0]=3 83 B9R0.55 CC(=O)NCCCN(C)C 4148-1-50 [0,2,0,0,0,0|1,0,0]=3 84 B7R1.2 CC1CCC(C)N1 3H31-5-0R [1,0,0,1,0,0|1,0,1]=4 85 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [1,0,0,1,0,0|2,0,0]=4 87 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.10 COC1CC(=O)C1 2217-1-0B [1,0,0,1,0,0|1,0,0]=3 89 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.12 CC1CC1C(N)=O 4248-1-12 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.14 CC1(N)CCCC1 3230-5-22 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.14 N=S1(=O)CCCC1 8H69-1-3T [1,0,0,1,0,0|2,0,0]=4 95 B7R1.18 CC(N)C1CCC1 3230-5-0B [1,0,0,1,0,0|1,0,1]=4 96 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [1,0,0,1,0,0|2,0,0]=4 97 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.20 NC(=S)CC1CC1 7267-1-05 [1,0,0,1,0,0|1,1,0]=4 100 B7R1.1 CN[C@@H]1CCNC1 3H31-5-RK [1,0,0,1,0,0|2,0,0]=4 101 B7R1.1 NC[C@@H]1CCOC1 4H56-1-S15 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.1 NC[C@H]1CCOC1 4H56-1-R07 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.1 NC[C@H]1CCOC1 4H56-5-RC [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.4 O=C1CCCC1Br 2215-9-00 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.6 C=CCC1CNC1 4H22-3-12 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.6 CCOC1CNC1 4H56-5-DR [1,0,0,1,0,0|2,0,0]=4 109 B7R1.6 CNCC1COC1 4H56-1-181 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.6 COC[C@@H]1CCN1 4H56-1-S0H [1,0,0,1,0,0|2,0,0]=4 111 B7R1.6 COC[C@H]1CCN1 4H56-1-R02 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.6 NCCC1CCC1 3230-1-0B [1,0,0,1,0,0|1,0,1]=4 113 B7R1.8 O=C1CCC1CO 2220-1-06 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.24 C1=CCCNCC1 3H31-5-9D [1,0,0,1,0,0|1,0,1]=4 115 B9R1.7 CN1CCC(CCO)C1 4H56-1-782 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.34 CC1CC(=O)CC(C)N1 4H17-5-1U [0,1,0,1,0,0|1,0,0]=3 117 B9R1.34 CC1CC(O)CC(C)N1 4H02-1-15 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [0,1,0,1,0,0|2,0,0]=4 120 B9R1.52 CC1CN(C)[C@@H]1C(=O)O 4H21-1-SC [0,1,0,1,0,0|2,0,0]=4 121 B9R1.53 CC(=O)NC1CC(N)C1 4248-5-08 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.53 NC1CC(CC(=O)O)C1 4257-1-16 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-5-12 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.53 O=C(O)CC1CC(=O)C1 2229-1-0N [0,1,0,1,0,0|1,0,1]=4 125 B9R1.66 CN1CCCC(C)(N)C1 3H30-1-DX [0,1,0,1,0,0|2,0,0]=4 126 B9R1.137 O=[N+]([O-])CC(O)C1CC1 4254-1-06 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.171 CC1(CC(=O)O)CCC1 2221-1-51 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.2 O=C1CC(CO)CCN1 4H56-1-042 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.2 O=C1CCCC(CO)C1 2220-1-01 [0,1,0,1,0,0|0,0,0]=2 131 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [0,1,0,1,0,0|0,0,2]=4 132 B9R1.11 CNC(=O)C1CCNC1 4H48-5-FZ [0,1,0,1,0,0|1,0,0]=3 133 B9R1.11 CNC(=O)[C@@H]1CCCN1 4H48-5-SF [0,1,0,1,0,0|1,0,0]=3 134 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.49 CN1CCCC(N)CC1 3H32-1-AY [0,1,0,1,0,0|2,0,0]=4 136 B9R1.50 O=C1NCCCCCN1 4H53-1-0G [0,1,0,1,0,0|1,0,0]=3 137 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N 4258-5-E1 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.88 COC(=O)C1CC1CN 4258-5-14 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.89 CCN1CCCCCC1 3H32-1-FY [0,1,0,1,0,0|2,0,0]=4 140 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [0,1,0,1,0,0|1,0,0]=3 142 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.84 O=C(O)\C=C\C1CCC1 2321-1-E1 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [0,1,0,1,0,0|1,0,0]=3 147 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,1,0,1,0,0|2,0,0]=4 148 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,1,0,1,0,0|1,0,1]=4 151 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,1,0,1,0,0|1,0,0]=3 163 B9R1.163 CC1(C(=O)O)CCOC1 2H21-1-91 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.10 CC1(C)CCC(N)CC1 3230-5-24 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.10 CC1(O)CCC(N)CC1 4256-1-67 [0,1,0,1,0,0|0,0,2]=4 166 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 4256-1-50 [0,1,0,1,0,0|0,0,2]=4 167 B9R1.19 CS(=O)(=O)[C@@H]1CCNC1 8H63-1-R0 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,1,0,1,0,0|2,0,0]=4 169 B9R1.170 O=C(O)CC1CC1(F)F 2221-3-0J [0,1,0,1,0,0|2,0,0]=4 170 B9R2.39 [C@H]12CC[C@@H](C1)[C@@H](N)C2 3233-5-05 [0,0,0,2,0,0|1,0,1]=4 171 B9R2.139 O=C1CC2(CC2)CO1 2H25-1-2H [0,0,0,2,0,0|1,0,0]=3 172 B9R2.7 O=C1N[C@@H]2CCC[C@H]12 4H48-1-Z10 [0,0,0,2,0,0|1,0,0]=3 173 B9R2.7 [C@H]12C=CC[C@H]1C(=O)C2 2417-1-15 [0,0,0,2,0,0|0,0,2]=4 174 B9R2.138 O=C1CC2(CCC2)C1 2217-1-35 [0,0,0,2,0,0|0,0,0]=2 175 B9R2.138 O=C1CC2(COC2)C1 4H17-1-0Z [0,0,0,2,0,0|1,0,0]=3 176 B9R2.138 O=C1CC2(CSC2)C1 6H66-1-42 [0,0,0,2,0,0|1,0,0]=3 177 B9R2.138 OC1CC2(CCC2)C1 2202-1-0C [0,0,0,2,0,0|0,0,2]=4 178 B9R2.143 O=C(O)C1CC12CC2 2221-1-46 [0,0,0,2,0,0|1,0,0]=3