0 B6R0.4 C#CCCC(=O)O 2521-1-02 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C#CCNC(N)=O 4553-1-01 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.4 C=CCOC(C)=O 2324-1-08 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 CC(=O)CCCCl 2117-5-52 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(=O)NCCCl 4148-5-15 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 CCC#CC(=O)O 2521-1-12 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.4 CCCCB(O)O 6160-1-06 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CCCCC(=O)O 2121-1-0C [0,0,0,0,0,0|2,0,0]=2 10 B6R0.4 CCCNC(N)=S 7167-1-23 [0,0,0,0,0,0|3,1,0]=4 11 B6R0.4 CCCOC(C)=O 2123-1-32 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CCCO[N+](=O)[O-] 4154-1-11 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CCOCC(=O)Cl 2116-5-0F [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 CN(C)CCCBr 3132-9-03 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 CN(C)CCCCl 3132-5-X0 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 CN(C)CCCO 4156-1-40 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 CNCCC(N)=O 4148-1-30 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.4 NC(=O)NCCO 4153-1-02 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.4 NCCCC(=O)O 4157-1-X2 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.4 NCCNC(N)=O 4153-5-07 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 C=COC(C)=O 2324-1-50 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 CC#CC(=O)O 2521-1-13 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CC(C)=CCBr 1300-9-X0 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(C)=CCCl 1300-5-X0 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CC(C)CCI 1100-H-X4 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(C)CCN 3130-1-X4 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CC(C)CCO 2101-1-53 [1,0,0,0,0,0|1,1,1]=4 29 B5R0.1 CC(N)CCO 4156-1-4D [1,0,0,0,0,0|1,1,1]=4 30 B5R0.1 CCCB(O)O 6160-1-X5 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCCC(=O)Cl 2116-5-09 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CCCC(C)C 1100-1-04 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 CCCC(C)O 2102-1-52 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.1 CCNC(N)=O 4153-1-X1 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CCOC(=S)[S-] 6167-1-02 [1,0,0,0,0,0|2,1,0]=4 37 B5R0.1 CN(C)CCN 3132-1-X2 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 COCC(=O)Cl 2116-5-X4 [1,0,0,0,0,0|1,1,0]=3 39 B5R0.1 CSCC(=O)O 6166-1-05 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 C[C@@H](N)CCO 4156-1-RB [1,0,0,0,0,0|1,1,1]=4 41 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [1,0,0,0,0,0|0,1,2]=4 42 B5R0.1 NC(=O)CCBr 4148-9-00 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 NC(=O)CCCl 4148-5-02 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 O=C(O)CCO 2129-1-Y8 [1,0,0,0,0,0|1,1,0]=3 45 B5R0.2 C#CCCCC 1500-1-X2 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.2 C=CCCCBr 1300-9-13 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 C=CCCCC 1300-1-48 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.2 CCCCC=O 2115-1-00 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.2 CCCCCC 1100-1-18 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.2 CCCCCF 1100-3-65 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 CCCCCN 3130-1-X6 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 CNCCNC 3131-1-17 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.2 COCCCBr 2107-9-02 [1,0,0,0,0,0|1,1,1]=4 54 B5R0.2 COCCOC 2108-1-00 [1,0,0,0,0,0|1,1,0]=3 55 B5R0.2 CSCCCN 8166-1-X3 [1,0,0,0,0,0|1,0,1]=3 56 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.2 COC(=O)CC(=O)Cl 2116-5-X2 [0,1,0,0,0,0|1,1,1]=4 59 B7R0.2 COC(=O)CC(=O)[O-] 2123-1-X2 [0,1,0,0,0,0|1,1,1]=4 60 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [0,1,0,0,0,0|0,1,1]=3 61 B7R0.3 C#CCOC(=O)OC 2528-1-01 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.3 C=CCCC(=O)OC 2323-1-0J [0,1,0,0,0,0|1,0,1]=3 63 B7R0.3 C=CCNC(=O)CCl 4348-5-X0 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.3 C=CCOC(=O)OC 2328-1-02 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.3 CC\C=C\C(=O)OC 2323-1-17 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.3 CC\C=C\C(=O)OC 2323-1-E2 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.3 CNCCC(=O)NC 4148-1-31 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.3 COC(=O)CCCBr 2123-9-0H [0,1,0,0,0,0|2,0,0]=3 69 B7R0.3 COC(=O)CCCN 4158-5-18 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.3 COC(=O)CN=C=S 8168-1-19 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.4 CCCCNC(N)=S 7167-1-03 [0,1,0,0,0,0|2,1,0]=4 74 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.4 COCCNC(N)=S 8168-1-16 [0,1,0,0,0,0|1,2,0]=4 76 B7R0.4 NCCCCC(=O)O 4157-1-37 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.4 NCCNCC(=O)O 4158-1-1D [0,1,0,0,0,0|3,0,0]=4 78 B7R0.4 NCCOCC(=O)O 4157-1-05 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [0,1,0,0,0,0|2,0,0]=3 82 B7R0.5 CCOC(=O)C(C)=O 2129-1-01 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [0,1,0,0,0,0|1,1,0]=3 84 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [0,1,0,0,0,0|1,1,0]=3 85 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [0,1,0,0,0,0|3,0,0]=4 86 B7R0.5 O=C(Cl)C(Br)CCBr 2116-D-00 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.6 CC(=O)OCC(=O)Cl 2129-5-X0 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.6 CC(=O)OCC(F)F 2123-3-09 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,1,0,0,0,0|2,0,0]=3 92 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,1,0,0,0,0|3,0,0]=4 93 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.6 CN(C)CCN(C)C 3132-1-06 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.8 CCCCS(=O)(=O)Cl 6162-5-09 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.8 CS(=O)(=O)CCCO 6163-1-0D [0,1,0,0,0,0|3,0,0]=4 98 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,0,0,1,0,0|1,0,1]=3 99 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,0,0,1,0,0|3,0,0]=4 100 B7R1.2 CN1CCC(O)C1 4H56-1-Z4 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.2 CN1CC[C@@H](O)C1 4H56-1-R1 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.2 CN1CC[C@H](O)C1 4H56-1-S4 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.3 BrC1CCOCC1 2H10-9-19 [0,0,0,1,0,0|1,1,1]=4 109 B7R1.3 CC1=CCC=CC1 1200-1-0A [0,0,0,1,0,0|2,0,1]=4 110 B7R1.3 CC1=CCCCC1 1400-1-04 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.3 CC1=CCCNC1 3H31-5-0N [0,0,0,1,0,0|3,0,0]=4 112 B7R1.3 CC1CCCCC1 1200-1-19 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 CC1CCCCN1 3H31-1-00 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.3 CC1CCNCC1 3H31-1-Q3 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 CN1CCNCC1 3H32-1-L1 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.3 CN1CCOCC1 4H44-1-03 [0,0,0,1,0,0|2,1,0]=4 117 B7R1.3 C[C@H]1CCCCN1 3H31-1-S5 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 FC1CCCCC1 1200-3-02 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.3 FC1CCNCC1 3H31-7-X9 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.3 IC1CCOCC1 2H10-H-X0 [0,0,0,1,0,0|1,1,1]=4 121 B7R1.3 NC1CCOCC1 G311-A-59 [0,0,0,1,0,0|1,1,1]=4 122 B7R1.3 NC1CCOCC1 P911-A-50 [0,0,0,1,0,0|1,1,1]=4 123 B7R1.3 NC1CCSCC1 7H66-1-Y1 [0,0,0,1,0,0|1,0,1]=3 124 B7R1.3 NN1CCOCC1 4H56-1-VA [0,0,0,1,0,0|2,1,0]=4 125 B7R1.3 O=C1C=CCCC1 2417-1-X1 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.3 O=C1CCCCN1 4H48-1-1L [0,0,0,1,0,0|2,0,0]=3 127 B7R1.3 O=C1CCCCO1 2H25-1-X4 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.3 O=C1CCCNC1 4H56-5-M8 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.3 O=C1CCCOC1 2H17-1-09 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.3 O=C1CCCSC1 6H66-1-40 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.3 O=C1CCNCC1 4H17-1-3B [0,0,0,1,0,0|1,0,0]=2 132 B7R1.3 O=C1CCNCC1 4H56-5-3R [0,0,0,1,0,0|1,0,0]=2 133 B7R1.3 O=C1CCOCC1 P911-A-16 [0,0,0,1,0,0|0,1,0]=2 134 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [0,0,0,1,0,0|0,0,0]=1 135 B7R1.3 O=C1CNCCN1 4H48-1-W4 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.3 O=C1COCCN1 4H58-1-05 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.3 O=C1OCCCO1 2H28-1-13 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.3 OC1CCNCC1 4H56-1-UJ [0,0,0,1,0,0|1,0,2]=4 139 B7R1.3 OC1CCOCC1 2H10-1-Y4 [0,0,0,1,0,0|0,1,2]=4 140 B7R1.3 SC1CCCCC1 5261-1-04 [0,0,0,1,0,0|1,1,1]=4 141 B7R1.3 [NH3+]C1CCOCC1 4H30-1-Y9 [0,0,0,1,0,0|1,1,1]=4 142 B7R1.10 C=C1CC(C#N)C1 3337-1-X9 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.12 O=C(O)C1CC1F 2221-3-0B [0,0,0,1,0,0|3,0,0]=4 144 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.14 CC1(O)CCCC1 2201-1-01 [0,0,0,1,0,0|1,0,2]=4 146 B7R1.14 CC1(O)CCNC1 4H01-1-5R [0,0,0,1,0,0|1,0,2]=4 147 B7R1.14 CC1(O)CCNC1 4H56-5-0D [0,0,0,1,0,0|1,0,2]=4 148 B7R1.14 O=S1(=O)CCCC1 6H70-1-05 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.14 O=S1(=O)CCCC1 6H70-1-05B [0,0,0,1,0,0|3,0,0]=4 150 B7R1.18 CN(C)C1CNC1 4H32-5-06 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.18 N=C(N)C1CCC1 3241-5-X0 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.18 O=C(O)C1CNC1 P911-A-52 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [0,0,0,1,0,0|2,0,0]=3 156 B4R0.1 C=C(Br)CC 1300-9-24 [2,0,0,0,0,0|1,0,1]=4 157 B4R0.1 C=C(C)CBr 1300-9-00 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 C=C(C)CC 1300-1-21 [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 C=C(C)CN 3330-1-X1 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 C=C(C)CN 3330-5-X0 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 C=C(C)OC 2307-1-01 [2,0,0,0,0,0|1,1,0]=4 162 B4R0.1 CC(=O)C=O 2117-1-X0 [2,0,0,0,0,0|0,1,1]=4 163 B4R0.1 CC(=O)C=O 2117-1-X0A [2,0,0,0,0,0|0,1,1]=4 164 B4R0.1 CC(=O)CF 2117-3-10 [2,0,0,0,0,0|1,0,0]=3 165 B4R0.1 CC(=O)CO 2120-1-01 [2,0,0,0,0,0|0,1,0]=3 166 B4R0.1 CC(=O)NN 4156-1-2V [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 CCC(=N)N 3141-5-03 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 CCC(C)Cl 1100-5-25 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.1 CCC(C)F 1100-3-47 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 CCC(C)I 1100-H-X6 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.1 CC[C@@H](C)O 2101-1-R1 [2,0,0,0,0,0|0,0,2]=4 172 B4R0.1 CSC(=N)N 7167-H-X1 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 CSC(=N)N 8167-1-01 [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 NC(=O)CBr 4148-9-X4 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 NC(=O)CCl 4148-5-00 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 O=C(Br)CBr 2116-9-03 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 O=C(Cl)SCl 6171-5-00 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 O=C(O)CBr 2121-9-01 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 O=C(O)CI 2121-H-00 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.1 O=C(O)CO 2129-1-20 [2,0,0,0,0,0|1,1,0]=4 181 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [2,0,0,0,0,0|1,0,1]=4 182 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [2,0,0,0,0,0|1,0,1]=4 183 B4R0.2 C#CCCC 1500-1-X1 [2,0,0,0,0,0|0,0,2]=4 184 B4R0.2 C=CCCBr 1300-9-04 [2,0,0,0,0,0|1,0,1]=4 185 B4R0.2 C=CCCC 1300-1-09 [2,0,0,0,0,0|0,0,1]=3 186 B4R0.2 CCCC#N 3137-1-Y3 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.2 CCCCBr 1100-9-15 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.2 CCCCF 1100-3-32 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.2 CCNCC 3133-5-06 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.2 CCOCC 6160-3-09 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.2 CNCCCl 3133-5-05 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.2 CNCCN 3131-1-11 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.2 CNCCO 4156-1-3Y [2,0,0,0,0,0|1,0,1]=4 194 B4R0.2 COCCBr 2107-9-X1 [2,0,0,0,0,0|1,1,0]=4 195 B4R0.2 COCCCl 2107-5-0R [2,0,0,0,0,0|1,1,0]=4 196 B4R0.2 COCCN 4130-1-X3 [2,0,0,0,0,0|1,1,0]=4 197 B4R0.2 COCOC 2108-1-07 [2,0,0,0,0,0|1,1,0]=4 198 B4R0.2 CSCCN 7166-1-X1 [2,0,0,0,0,0|1,0,0]=3 199 B4R0.2 C\C=C\CC 1300-1-05 [2,0,0,0,0,0|0,0,1]=3 200 B6R0.1 CCCC(=N)NO 4141-1-X1 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.1 CCCC(=O)NN 4156-1-15 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.1 CCCC(C)CCl 1100-5-0A [1,1,0,0,0,0|1,0,1]=4 203 B6R0.1 CCCC(O)CO 2104-1-0A [1,1,0,0,0,0|0,0,2]=4 204 B6R0.1 CCOC(=O)C=O 2323-1-X0 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.1 CCOC(=O)CCl 2123-5-01 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.1 CCOC(=O)CN 4158-5-25 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.1 CCOC(=O)CS 6161-1-03 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.1 CCOC(=O)NN 4156-1-55 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.1 CNC(=O)CC#N 4148-1-X3 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.1 CNC(=O)CCN 4148-1-13 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.1 CNCC(=O)OC 4158-5-X0 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.1 COC(=O)CC#N 4137-1-X2 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.1 COC(=O)CCN 4158-1-02 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.1 COC(=O)CSC 6166-1-06 [1,1,0,0,0,0|0,0,0]=2 215 B6R0.1 [C-]#[N+]CC(=O)OC 4149-1-06 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [1,1,0,0,0,0|0,0,1]=3 217 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,1,0,0,0,0|0,0,0]=2 218 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [1,1,0,0,0,0|0,0,2]=4 219 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [1,1,0,0,0,0|0,0,2]=4 220 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.2 CC(O)CC(C)O 2104-1-X3 [1,1,0,0,0,0|0,0,2]=4 224 B6R0.2 CN(C)CC(=O)O 4158-1-40 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.2 C[C@@H](O)C[C@@H](C)O 2104-1-28 [1,1,0,0,0,0|0,0,2]=4 226 B6R0.3 CC(=O)C(=O)CBr 2118-9-01 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.3 CCC(Br)C(C)Br 1100-9-10 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.3 CCC(N)C(=O)O 4157-1-16 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [1,1,0,0,0,0|1,0,0]=3 231 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.3 CON(C)C(C)=O 4148-1-44 [1,1,0,0,0,0|1,1,0]=4 233 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [1,1,0,0,0,0|0,0,2]=4 234 B6R0.3 NCC(F)C(=O)O 4157-3-02 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.5 CCCS(=O)(=O)Cl 6162-5-05 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.5 CCCS(N)(=O)=O P612-A-86 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.5 CCOP(C)(=O)O 6177-1-37 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.5 CS(=O)(=O)CCN 8163-5-X0 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.6 C=CCCCCBr 1300-9-X5 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.6 C=CCCCCO 2301-1-06 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.6 CCCCCC=O 2115-1-X2 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.6 CCCCCCCl 1100-5-29 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.6 CCCCCCF 1100-3-61 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.6 COCCOCCl 2108-5-X0 [1,1,0,0,0,0|1,1,0]=4 248 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,2,0,0,0,0|2,0,0]=4 249 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 4158-1-X5 [0,2,0,0,0,0|1,1,0]=4 251 B8R0.16 COC(CC(C)=O)OC 2117-1-X6 [0,2,0,0,0,0|0,1,0]=3 252 B8R0.19 CCC(=O)CC(=O)OC 2129-1-X6 [0,2,0,0,0,0|0,1,1]=4 253 B8R0.19 COC(=O)CC(=O)CCl 2129-5-X1 [0,2,0,0,0,0|0,1,1]=4 254 B8R0.19 COC(=O)CC(=O)OC 2123-1-X5 [0,2,0,0,0,0|0,1,1]=4 255 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,2,0,0,0,0|2,0,0]=4 256 B8R0.1 CCOC(=O)CCCBr 2123-9-X0 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.3 COCC(Br)C(=O)OC 2123-9-23 [0,2,0,0,0,0|0,1,0]=3 258 B8R0.6 C=CC(=O)OCCCC 2324-1-09 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.6 CCCCCC(=O)CC 2117-1-X4 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.6 CCCCOC(=O)CCl 2123-5-X2 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.6 COC(=O)CCN=C=S 8168-1-25 [0,2,0,0,0,0|1,0,1]=4 262 B8R0.9 CC(=O)OCC(O)CCl 2129-5-08 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.7 CCCCCCC(=O)O 2121-1-14 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.29 CC(=O)CCC(F)(F)F 2117-3-26 [0,2,0,0,0,0|2,0,0]=4 268 B6R1.2 BrC1CCCC1 1200-9-01 [1,0,0,1,0,0|1,0,1]=4 269 B6R1.2 CC1CCCC1 1200-1-07 [1,0,0,1,0,0|1,0,1]=4 270 B6R1.2 CC1CCCO1 2H10-1-01 [1,0,0,1,0,0|0,0,2]=4 271 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [1,0,0,1,0,0|1,0,1]=4 272 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.2 ClC1CCCC1 1200-5-02 [1,0,0,1,0,0|1,0,1]=4 274 B6R1.2 O=C1C=CCC1 2417-1-X0 [1,0,0,1,0,0|0,0,2]=4 275 B6R1.2 O=C1CCCC1 2217-1-01 [1,0,0,1,0,0|0,0,0]=2 276 B6R1.2 O=C1CCNC1 4H17-5-04 [1,0,0,1,0,0|1,0,0]=3 277 B6R1.2 O=C1CCOC1 2H17-1-Y1 [1,0,0,1,0,0|0,1,0]=3 278 B6R1.2 O=C1CCSC1 6H66-1-Y6 [1,0,0,1,0,0|0,0,0]=2 279 B6R1.2 O=C1NCCS1 8H70-1-8S [1,0,0,1,0,0|2,0,0]=4 280 B6R1.2 S=C1CCCN1 7H67-1-31 [1,0,0,1,0,0|1,1,0]=4 281 B6R1.10 C[Si]1(C)CCC1 5180-1-07 [1,0,0,1,0,0|1,1,0]=4 282 B6R1.11 CC(=O)C1CC1 2217-1-X9 [1,0,0,1,0,0|0,0,0]=2 283 B6R1.11 CC(N)C1CC1 P911-A-20 [1,0,0,1,0,0|1,0,1]=4 284 B6R1.11 CC(O)C1CC1 2202-1-14 [1,0,0,1,0,0|0,0,2]=4 285 B6R1.11 N=C(N)C1CC1 3241-5-X2 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.11 O=C(Cl)C1CC1 2216-5-X1 [1,0,0,1,0,0|1,0,0]=3 287 B6R1.11 O=C(O)C1CC1 2221-1-X1 [1,0,0,1,0,0|1,0,0]=3 288 B6R1.1 C1=CCOCC1 2H10-1-53 [1,0,0,1,0,0|0,1,1]=4 289 B6R1.1 C1CCCCC1 1200-1-06 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.1 C1CNCCN1 3H31-1-03 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.1 C1COCCN1 4H31-1-01 [1,0,0,1,0,0|1,1,0]=4 292 B6R1.1 C1COCCO1 2H08-1-14 [1,0,0,1,0,0|1,1,0]=4 293 B6R1.1 C1CSCCN1 7H70-1-Z9 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.1 C1CSCSC1 5H66-1-31 [1,0,0,1,0,0|0,1,1]=4 295 B6R1.6 COC1CNC1 4H07-5-01 [1,0,0,1,0,0|1,1,0]=4 296 B6R1.6 CSC1CNC1 7H66-1-65 [1,0,0,1,0,0|1,0,0]=3 297 B6R1.6 O=CC1CCC1 2215-1-03 [1,0,0,1,0,0|1,0,0]=3 298 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,1,0,1,0,0|2,0,0]=4 299 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,1,0,1,0,0|0,1,0]=3 300 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [0,1,0,1,0,0|1,0,0]=3 301 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.4 O=C1CCNC(=O)C1 4H48-1-67 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.34 CC(=O)NC1CNC1 4H48-5-5Z [0,1,0,1,0,0|1,0,0]=3 304 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.40 O=C(CCl)NC1CC1 4248-5-01 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.2 O=CC1CCOCC1 P311-A-93 [0,1,0,1,0,0|0,1,1]=4 307 B8R1.2 O=CN1CCCCC1 4H15-1-W5 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.3 CC1=NNC(=O)CC1 4H56-1-XC [0,1,0,1,0,0|2,0,0]=4 309 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,1,0,1,0,0|1,0,0]=3 310 B8R1.5 CC1=CCCCC1=O 2417-1-01 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.5 CC1CCCCC1=O 2217-1-1E [0,1,0,1,0,0|1,0,0]=3 312 B8R1.5 CN1CCNCC1=O 4H17-1-16 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.5 CN1CCNCC1=O 4H48-5-BC [0,1,0,1,0,0|2,0,0]=4 314 B8R1.5 CN1CCOCC1=O 4H48-1-4C [0,1,0,1,0,0|1,1,0]=4 315 B8R1.5 NC1CCCNC1=O 4H48-1-3C [0,1,0,1,0,0|2,0,0]=4 316 B8R1.5 O=C1CCCCC1=O 2218-1-X7 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.5 O=C1CCNCC1F 4H56-7-14 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,1,0,1,0,0|1,0,0]=3 320 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.22 O=C1CCCNCC1 P612-A-68 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.22 O=C1CCNCCN1 4H17-1-01 [0,1,0,1,0,0|1,0,0]=3 323 B8R1.22 O=C1CCNCCN1 4H48-5-Z9 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.22 O=C1CCOCCN1 4H48-1-0A5 [0,1,0,1,0,0|0,1,0]=3 325 B8R1.38 COC(=O)C1CNC1 4H23-5-35 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.50 CC1C(=O)CCC1=O 2218-1-X5 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.50 CN1CCN(C)C1=O 4H17-1-13 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [0,1,0,1,0,0|2,0,0]=4 329 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [0,1,0,1,0,0|1,1,0]=4 333 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [0,1,0,1,0,0|2,0,0]=4 334 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [0,1,0,1,0,0|1,1,0]=4 337 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.72 O=S1(=O)CCNCC1 8H63-5-X5 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.72 O=S1(=O)CCNCC1 P911-A-87 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.23 C=C1CC(C(=O)O)C1 2321-1-X3 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.23 CC(=O)N1CC(N)C1 4H48-5-71 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.23 O=C1CC(C(=O)O)C1 P911-A-73 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.78 CC1(C(=O)O)COC1 2H21-1-42 [0,1,0,1,0,0|1,1,0]=4 350 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [0,1,0,1,0,0|2,0,0]=4 351 B8R2.38 O=C1CCC2CC12 2217-1-33 [0,0,0,2,0,0|1,0,0]=3