0 B6R0.3 CCC(F)C(=O)O 2121-3-0L [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 CNC(C)C(C)C 3131-1-0B [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 NC(CF)C(=O)O 4157-3-01 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 NCCC(N)=O 4148-5-0C [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.3 C=CC(C)ON 4347-5-31 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.3 CC(CO)CBr 2101-9-0B [1,0,0,0,0,0|1,0,1]=3 7 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.5 CC(C)C(C)O 2102-1-03 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.5 O=C(F)C(F)F 2116-3-03 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.5 O=C([O-])C(F)F 2122-2-21 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,1,0,0,0,0|1,0,0]=2 13 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [0,1,0,0,0,0|1,0,0]=2 15 B7R0.10 COC(=O)C(O)CN 4158-5-50 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [0,1,0,0,0,0|1,0,0]=2 17 B7R0.13 CCC(C)(C)[S@](N)=O 8169-1-R3 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.14 C[C@@H](CO)C(C)(C)O 2103-1-S2 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,1,0,0,0,0|1,0,1]=3 20 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,0,0|1,0,0]=2 21 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,0,0,1,0,0|1,0,0]=2 25 B7R1.8 O=C1CCC1CO 2220-1-06 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,1,0,0|0,0,0]=1 28 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,1,0,0|0,0,0]=1 29 B7R1.18 CC(N)C1CCC1 3230-5-0B [0,0,0,1,0,0|2,0,1]=4 30 B7R1.18 CC(O)C1CNC1 4H02-5-0E [0,0,0,1,0,0|2,0,1]=4 31 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,0,0,1,0,0|2,0,0]=3 32 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.19 CC(N)C1(C)CC1 3231-5-0A [0,0,0,1,0,0|2,0,1]=4 35 B7R1.19 CC1(C(N)=O)CC1 4248-1-0B [0,0,0,1,0,0|1,0,0]=2 36 B7R1.27 CCC1(C)ON1C 4H56-1-03N [0,0,0,1,0,0|2,0,0]=3 37 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,0,0,0,0,1|2,0,0]=3 38 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [0,0,0,0,0,1|2,0,1]=4 39 B4R0.1 CC(N)CF 3130-7-09 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.2 C=CCNC 3331-1-01 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.1 CCNC(=O)CBr 4148-9-03 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [1,1,0,0,0,0|0,0,2]=4 44 B6R0.8 CC(C)(C=O)CO 2115-1-0A [1,1,0,0,0,0|1,0,0]=3 45 B6R0.8 CCC(C)(C)NC 3131-1-0A [1,1,0,0,0,0|2,0,0]=4 46 B6R0.8 CNC(C)(C)CO 4156-1-10 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.7 O=C(O)C(F)(Cl)Br 2121-F-01 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.7 O=C(O)C(F)(F)F 4H22-3-0C [1,1,0,0,0,0|2,0,0]=4 49 B6R0.7 O=C(O)C(F)(F)F 4H22-3-R0 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.7 O=C(O)C(F)(F)F 4H22-3-S0 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.7 O=C(O)C(F)(F)F 4H56-3-7R [1,1,0,0,0,0|2,0,0]=4 52 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,1,0,0,0,1|0,0,0]=2 53 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,1,0,0,0,1|1,0,0]=3 54 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [0,1,0,0,0,1|2,0,0]=4 55 B8R0.3 C=CC[C@H](N)C(=O)OC 4358-1-S0 [0,2,0,0,0,0|1,0,1]=4 56 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,2,0,0,0,0|1,0,0]=3 57 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,2,0,0,0,0|1,0,0]=3 58 B8R0.3 CCOC(=O)[C@@H](C)OC 2123-1-R4 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.3 COC(=O)[C@H](C)N=C=O 4158-1-S07 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.12 CC(C)(CCCl)C(=O)Cl 2116-5-25 [0,2,0,0,0,0|1,0,0]=3 62 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.13 COC(=O)C(C)(C)CN 4130-5-01 [0,2,0,0,0,0|1,0,0]=3 64 B8R0.37 CC(C)(C(N)=O)C(=O)O 4148-1-40 [0,2,0,0,0,0|1,0,1]=4 65 B6R1.2 O=C1CCNN1 4H48-5-FV [1,0,0,1,0,0|2,0,0]=4 66 B6R1.5 CN1CC(=O)C1 4H17-5-2E [1,0,0,1,0,0|2,0,0]=4 67 B6R1.5 O=C1CC(Br)C1 2217-9-03 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.5 O=C1CC(F)C1 2217-3-0D [1,0,0,1,0,0|2,0,0]=4 69 B6R1.5 O=C1CC(O)C1 2220-1-00 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.4 N[C@@H]1CC[C@@H]1O 4256-5-Z2 [1,0,0,1,0,0|1,0,1]=4 71 B6R1.6 BrCC1COC1 2H10-9-43 [1,0,0,1,0,0|1,0,1]=4 72 B6R1.6 CNC1COC1 4H31-1-07 [1,0,0,1,0,0|1,0,1]=4 73 B6R1.6 ICC1COC1 2H10-H-09 [1,0,0,1,0,0|1,0,1]=4 74 B6R1.6 NCC1COC1 4H56-1-79 [1,0,0,1,0,0|1,0,1]=4 75 B6R1.6 NNC1CCC1 3239-5-02 [1,0,0,1,0,0|2,0,0]=4 76 B6R1.6 O=CC1COC1 2H15-1-22 [1,0,0,1,0,0|1,0,0]=3 77 B6R1.6 OCC1CSC1 6H66-1-64 [1,0,0,1,0,0|1,0,1]=4 78 B6R1.6 OC[C@H]1CCN1 4H56-1-R9 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,0,0,1,0,1|0,0,2]=4 80 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,0,0,1,0,1|2,0,0]=4 81 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,0,0,1,0,1|2,0,0]=4 82 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,0,0,1,0,1|2,0,0]=4 83 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,0,0,1,0,1|2,0,0]=4 84 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,0,0,1,0,1|2,0,0]=4 85 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,0,0,1,0,1|2,0,0]=4 86 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,0,0,1,0,1|2,0,0]=4 87 B8R1.18 C[C@@H]1NC(=O)OC1=O 4H56-1-S0C [0,0,0,1,0,1|1,0,1]=4 88 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,0,0,1,0,1|1,0,0]=3 89 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,0,0,1,0,1|1,0,0]=3 90 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,0,0,1,0,1|1,0,0]=3 91 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [0,0,0,1,0,1|2,0,0]=4 92 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,0,0,1,0,1|1,0,0]=3 93 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,1,0,1,0,0|0,0,0]=2 99 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,1,0,1,0,0|1,0,0]=3 100 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,1,0,1,0,0|0,0,0]=2 101 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,1,0,1,0,0|0,0,0]=2 102 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,1,0,1,0,0|0,0,0]=2 103 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,1,0,1,0,0|0,0,0]=2 104 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,1,0,1,0,0|0,0,0]=2 105 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,1,0,1,0,0|0,0,0]=2 106 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,1,0,1,0,0|0,0,0]=2 107 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [0,1,0,1,0,0|0,0,0]=2 110 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [0,1,0,1,0,0|1,0,0]=3 111 B8R1.78 O=[N+]([O-])C1(Br)CCC1 4254-9-00 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.38 NC(CO)C1CCC1 4256-5-57 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.38 N[C@@H](CO)C1CCC1 4256-5-R1 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.38 N[C@H](CO)C1CCC1 4256-5-S1 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.38 O=C(CBr)C1CCC1 2217-9-0A [0,1,0,1,0,0|1,0,0]=3 116 B8R2.19 O=C1CCC12CC2 2217-1-0C [0,0,0,2,0,0|1,0,0]=3