0 B8R1.3 CN1CCC(Br)CC1 3H32-9-AF [0,0,0,0,0,0|2,0,1]=3 1 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 CN1CC=CCC1 3H33-5-1E [1,0,0,0,0,0|1,0,1]=3 5 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.3 OC1CCCNC1 4H56-1-909 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.3 S=C1NCCCS1 7H67-1-28 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.1 CC1CCC(CCl)CC1 1200-6-00 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.1 CN1CCC(CBr)CC1 3H32-9-5T [0,1,0,0,0,0|2,0,0]=3 13 B9R1.1 COC1CCC(N)CC1 4233-5-04 [0,1,0,0,0,0|1,0,1]=3 14 B9R1.1 NC[C@H]1CC[C@H](O)CC1 4256-5-46 [0,1,0,0,0,0|0,0,2]=3 15 B9R1.10 CC1(C)CCC(N)CC1 3230-5-24 [0,1,0,0,0,0|1,0,1]=3 16 B9R1.10 CC1(O)CCC(N)CC1 4256-1-67 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 4256-1-50 [0,1,0,0,0,0|1,0,1]=3 18 B9R1.10 O=C1CCC(F)(F)CN1 4H48-3-3G [0,1,0,0,0,0|2,0,0]=3 19 B9R1.69 CN1CCC(=O)NC1=O 4H18-1-33 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.69 O=C1CCC(Br)C(=O)N1 4H48-9-99 [0,1,0,0,0,0|2,0,1]=4 21 B9R2.49 C1CC2CCC1CN2 3H31-5-0B [0,0,0,1,0,0|1,0,1]=3 22 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,0,0,0,1,0|2,0,1]=4 23 B7R1.2 CC1CNC(=S)N1 7H67-1-34 [0,0,0,0,1,0|2,1,0]=4 24 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,0,0,0,1,0|2,0,0]=3 25 B7R1.2 CN1CC[C@@H](N)C1 3H30-1-R1 [0,0,0,0,1,0|2,0,1]=4 26 B7R1.2 CN1CC[C@H](N)C1 3H30-1-S0 [0,0,0,0,1,0|2,0,1]=4 27 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,0,0,0,1,0|2,0,0]=3 28 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,0,0,0,1,0|1,0,2]=4 29 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,0,0,0,1,0|2,0,0]=3 30 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,0,0,0,1,0|1,0,2]=4 31 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,0,0,0,1,0|1,0,2]=4 32 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,0,0,0,1,0|1,0,2]=4 33 B9R1.49 CN1CCCC(N)CC1 3H32-1-AY [0,0,0,0,0,1|2,0,1]=4 34 B6R0.1 CCC(C)CNC 3131-5-05 [1,0,1,0,0,0|1,0,1]=4 35 B6R0.1 CCNC(=O)CBr 4148-9-03 [1,0,1,0,0,0|2,0,0]=4 36 B6R0.4 C=CCCC(C)Br 1300-9-21 [1,0,1,0,0,0|1,0,1]=4 37 B6R0.4 CC(C)CCON 4147-5-07 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.6 CCNCCOC 4156-1-3Q [1,0,1,0,0,0|2,0,0]=4 39 B8R0.1 CCOC(=O)CCC#N 4137-1-0R [0,1,1,0,0,0|1,0,1]=4 40 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,1,1,0,0,0|1,0,0]=3 41 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,1,1,0,0,0|1,0,0]=3 42 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,1,1,0,0,0|1,0,1]=4 43 B8R0.6 CCCSCC(=O)OC 6166-1-0C [0,1,1,0,0,0|1,0,0]=3 44 B8R0.6 CNCCCC(=O)OC 4133-5-00 [0,1,1,0,0,0|1,0,0]=3 45 B8R0.6 COC(=O)OCCCF 2128-3-97 [0,1,1,0,0,0|2,0,0]=4 46 B8R0.9 CCC(=O)NCC(C)C 4148-1-0W [0,1,1,0,0,0|1,0,0]=3 47 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [0,1,1,0,0,0|2,0,0]=4 48 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,1,1,0,0,0|1,0,1]=4 49 B8R0.23 CC(C)C(N)CN(C)C 3132-1-0B [0,1,1,0,0,0|2,0,0]=4 50 B8R0.23 CC(C)[C@H](N)CN(C)C 3132-5-S1 [0,1,1,0,0,0|2,0,0]=4 51 B8R0.29 CC(C)(S)CCC(=O)O 6161-1-10 [0,1,1,0,0,0|1,0,0]=3 52 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [1,1,0,0,0,0|1,0,1]=4 53 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [1,1,0,0,0,0|1,0,1]=4 54 B8R1.2 COC1CCCCC1 2207-1-07 [1,1,0,0,0,0|0,0,1]=3 55 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [1,1,0,0,0,0|1,0,0]=3 56 B8R1.2 FCC1CCNCC1 3H31-7-0N [1,1,0,0,0,0|1,0,0]=3 57 B8R1.2 ICC1CCNCC1 3H31-M-05 [1,1,0,0,0,0|1,0,0]=3 58 B8R1.2 NNC1CCNCC1 3H39-5-22 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.2 OCC1CCCNC1 4H56-1-910 [1,1,0,0,0,0|1,0,1]=4 60 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.4 CC1CCNC(C)C1 3H33-5-1C [1,1,0,0,0,0|1,0,0]=3 62 B8R1.4 CN1CCCC(Br)C1 3H32-9-A9 [1,1,0,0,0,0|1,0,1]=4 63 B8R1.4 C[C@@H]1CN(C)CCN1 4H22-1-67 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [1,1,0,0,0,0|1,0,1]=4 65 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [1,1,0,0,0,0|1,0,1]=4 66 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [1,1,0,0,0,0|0,0,0]=2 67 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [1,1,0,0,0,0|0,0,0]=2 68 B8R1.4 O=C1CSCC(=O)C1 6H18-1-01 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.5 CC1COCCC1=O 2H17-1-79 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.5 C[C@@H]1CNCCN1C 3H31-1-R0 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.5 C[C@H]1CNCCN1C 3H31-1-S0 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.5 N[C@@H]1CCOC[C@@H]1F 4H56-7-2D [1,1,0,0,0,0|2,0,0]=4 73 B8R1.5 N[C@@H]1CCOC[C@H]1F 4H56-7-2E [1,1,0,0,0,0|2,0,0]=4 74 B8R1.5 N[C@@H]1CCOC[C@H]1O 4H56-1-144 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.5 N[C@H]1CCOC[C@@H]1O 4H56-5-C4 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.5 O[C@@H]1CCNC[C@@H]1F 4H56-7-2G [1,1,0,0,0,0|2,0,0]=4 78 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-2H [1,1,0,0,0,0|2,0,0]=4 79 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-71 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.5 O[C@H]1CNCC[C@@H]1F 4H56-7-68 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.5 [C@@H]1(O)COCC[C@H]1N 4H56-5-9X [1,1,0,0,0,0|2,0,0]=4 82 B8R1.72 CC1(F)CCNCC1 3H31-7-65 [1,1,0,0,0,0|1,0,0]=3 83 B8R1.72 CC1(O)CCOCC1 2H10-1-Z0 [1,1,0,0,0,0|1,0,0]=3 84 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,1,0,0,1,0|1,0,1]=4 85 B8R1.1 CN1CCC(CCl)C1 3H32-5-HY [0,1,0,0,1,0|2,0,0]=4 86 B8R1.1 CN1CC[C@@H](CO)C1 4H56-1-RZ [0,1,0,0,1,0|2,0,0]=4 87 B8R1.1 CN1CC[C@H](CN)C1 3H30-1-DU [0,1,0,0,1,0|2,0,0]=4 88 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,1,0,0,1,0|1,0,0]=3 89 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,1,0,0,1,0|1,0,0]=3 90 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,1,0,0,1,0|1,0,0]=3 91 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,1,0,0,1,0|1,0,0]=3 92 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,1,0,0,1,0|1,0,0]=3 93 B8R1.51 O=C1CCS(=O)(=O)C1 6H63-1-09 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.1 CCCC1CCC(N)CC1 3230-1-0M [0,2,0,0,0,0|1,0,1]=4 95 B10R1.1 CN1CCC(CC#N)CC1 3H37-1-BY [0,2,0,0,0,0|2,0,0]=4 96 B10R1.3 CCN1CCC(CN)CC1 3H30-1-VQ [0,2,0,0,0,0|2,0,0]=4 97 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 2216-5-05 [0,2,0,0,0,0|0,0,1]=3 98 B10R1.13 O=C1CCC(C(=O)Cl)CC1 2216-5-02 [0,2,0,0,0,0|0,0,1]=3 99 B10R1.26 O=S1(=O)CCC(CO)CC1 6H63-1-15 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.10 CNCCC1CCC1 3231-1-07 [0,0,1,1,0,0|2,0,0]=4 101 B8R1.38 O=C(CBr)C1CCC1 2217-9-0A [0,0,1,1,0,0|1,0,0]=3 102 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,1,1,0,0|1,0,0]=3 103 B8R1.23 CC(C)C1CC(=O)N1 4H48-1-019 [0,0,1,1,0,0|1,0,0]=3 104 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,1,1,0,0|1,0,0]=3 105 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.23 O=C1CC(C(F)F)C1 2217-3-01 [0,0,1,1,0,0|2,0,0]=4 112 B8R2.11 [C@@H]12CNC[C@@H]1[C@H]2O 4H56-5-1S [1,0,0,1,0,0|2,0,0]=4 113 B8R2.25 C1CCC2NC2C1 3H31-1-4H [1,0,0,1,0,0|1,0,1]=4 114 B8R2.34 C1CC2CCC1N2 3H31-1-0Z [1,0,0,1,0,0|1,0,1]=4 115 B10R2.31 CN1CC[C@@H]2CN[C@@H]2C1 3H31-1-9H [0,1,0,1,0,0|2,0,0]=4 116 B10R2.31 CN1CC[C@@H]2NC[C@@H]2C1 3H31-1-9K [0,1,0,1,0,0|2,0,0]=4 117 B10R2.31 CN1CC[C@H]2CN[C@H]2C1 3H31-1-9J [0,1,0,1,0,0|2,0,0]=4 118 B10R2.31 CN1CC[C@H]2CN[C@H]2C1 3H31-1-9M [0,1,0,1,0,0|2,0,0]=4 119 B10R2.31 CN1CC[C@H]2NC[C@H]2C1 3H31-1-9L [0,1,0,1,0,0|2,0,0]=4 120 B10R2.31 CN1CC[C@H]2NC[C@H]2C1 3H31-1-9N [0,1,0,1,0,0|2,0,0]=4 121 B10R2.335 OC1CCC2(CC1)CC2 2202-1-0B [0,1,0,1,0,0|0,0,2]=4 122 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [0,0,1,0,1,0|2,0,0]=4 123 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [1,0,0,0,1,0|1,0,0]=3 124 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [1,0,0,0,1,0|2,0,0]=4 125 B6R1.2 O=C1CCNN1 4H48-5-FV [1,0,0,0,1,0|2,0,0]=4 126 B6R1.5 C=C1CC(N)C1 3330-5-00 [0,0,0,0,2,0|2,0,0]=4 127 B6R1.5 CN1CC(=O)C1 4H17-5-2E [0,0,0,0,2,0|1,0,0]=3 128 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [0,0,0,0,2,0|1,0,1]=4 129 B6R1.5 O=C1CC(Br)C1 2217-9-03 [0,0,0,0,2,0|1,0,0]=3 130 B6R1.5 O=C1CC(F)C1 2217-3-0D [0,0,0,0,2,0|1,0,0]=3 131 B6R1.5 O=C1CC(O)C1 2220-1-00 [0,0,0,0,2,0|1,0,0]=3