0 B8R1.4 CC1CCNC(C)C1 3H33-5-1C [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CN1CCCC(Br)C1 3H32-9-A9 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.4 C[C@@H]1CN(C)CCN1 4H22-1-67 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H31-1-2B [0,0,0,0,0,0|3,0,1]=4 5 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [0,0,0,0,0,0|1,0,2]=3 6 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,0,0,0,0,0|1,0,0]=1 7 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.4 O=C1CSCC(=O)C1 6H18-1-01 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.3 CN1CC=CCC1 3H33-5-1E [1,0,0,0,0,0|1,0,1]=3 10 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.3 OC1CCCNC1 4H56-1-909 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.3 S=C1NCCCS1 7H67-1-28 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [0,1,0,0,0,0|0,0,2]=3 17 B9R1.2 CN1CCOC(CO)C1 4H01-1-4R [0,1,0,0,0,0|3,0,0]=4 18 B9R1.2 CN1CCO[C@@H](CO)C1 4H01-1-R0 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.2 COC1=CCCN(C)C1 4H56-1-0L9 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.2 CSC1=NC(=O)CCN1 8H66-1-8S [0,1,0,0,0,0|2,0,1]=4 21 B9R1.2 O=C1CC(CO)CCN1 4H56-1-042 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.2 O=C1CCCC(CO)C1 2220-1-01 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.34 CC1CC(=O)CC(C)N1 4H17-5-1U [0,1,0,0,0,0|1,0,0]=2 24 B9R1.34 CC1CC(O)CC(C)N1 4H02-1-15 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.66 CN1CCCC(C)(N)C1 3H30-1-DX [0,1,0,0,0,0|2,0,0]=3 26 B9R1.69 O=C1CCC(Br)C(=O)N1 4H48-9-99 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [0,0,1,0,0,0|1,0,0]=2 28 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [0,0,1,0,0,0|2,0,0]=3 29 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,0,1,0,0,0|2,0,0]=3 30 B7R0.4 CNCCOC(C)=O 4133-5-03 [0,0,1,0,0,0|2,0,0]=3 31 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.4 O=C(O)CCCCO 2120-1-00 [0,0,1,0,0,0|2,0,0]=3 33 B9R2.39 [C@H]12CC[C@@H](C1)[C@@H](N)C2 3233-5-05 [0,0,0,1,0,0|1,0,1]=3 34 B9R2.68 C1CN2CCC(C2)N1 3H31-1-8G [0,0,0,1,0,0|3,0,0]=4 35 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,0,0,0,1,0|2,0,1]=4 36 B7R1.2 CC1CNC(=S)N1 7H67-1-34 [0,0,0,0,1,0|2,1,0]=4 37 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,0,0,0,1,0|2,0,0]=3 38 B7R1.2 CN1CC[C@@H](N)C1 3H30-1-R1 [0,0,0,0,1,0|2,0,1]=4 39 B7R1.2 CN1CC[C@H](N)C1 3H30-1-S0 [0,0,0,0,1,0|2,0,1]=4 40 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,0,0,0,1,0|2,0,0]=3 41 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,0,0,0,1,0|1,0,2]=4 42 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,0,0,0,1,0|2,0,0]=3 43 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,0,0,0,1,0|1,0,2]=4 44 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,0,0,0,1,0|1,0,2]=4 45 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,0,0,0,1,0|1,0,2]=4 46 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,0,0,0,1,0|1,0,2]=4 47 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,0,0,0,1,0|1,0,0]=2 48 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,0,0,0,1,0|2,0,0]=3 49 B9R1.49 CN1CCCC(N)CC1 3H32-1-AY [0,0,0,0,0,1|2,0,1]=4 50 B6R0.1 CCC(C)CNC 3131-5-05 [1,0,1,0,0,0|1,0,0]=3 51 B6R0.1 CCNC(=O)CBr 4148-9-03 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [1,0,1,0,0,0|2,0,0]=4 53 B6R0.4 C=CCCC(C)Br 1300-9-21 [1,0,1,0,0,0|1,0,1]=4 54 B6R0.4 CC(C)CCON 4147-5-07 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.4 CN(C)CCCBr 3132-9-02 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.6 CCNCCOC 4156-1-3Q [1,0,1,0,0,0|2,0,0]=4 57 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,1,1,0,0,0|1,0,0]=3 58 B8R0.5 CCCC(=O)CC(C)C 2117-1-0K [0,1,1,0,0,0|0,0,0]=2 59 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,1,1,0,0,0|2,0,0]=4 60 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [0,1,1,0,0,0|2,0,0]=4 61 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,1,1,0,0,0|1,0,1]=4 62 B8R0.24 CC(C)(C)OC(=O)CI 2123-H-00 [0,1,1,0,0,0|2,0,0]=4 63 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,1,1,0,0,0|1,0,1]=4 64 B8R0.6 CCCSCC(=O)OC 6166-1-0C [0,1,1,0,0,0|1,0,0]=3 65 B8R0.6 CNCCCC(=O)OC 4133-5-00 [0,1,1,0,0,0|1,0,0]=3 66 B8R0.6 COC(=O)OCCCF 2128-3-97 [0,1,1,0,0,0|2,0,0]=4 67 B8R0.7 C=C(C)CCCCCC 1300-1-30 [0,1,1,0,0,0|1,0,0]=3 68 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [0,1,1,0,0,0|1,0,1]=4 69 B8R0.7 NOCCCCC(=O)O 4121-9-01 [0,1,1,0,0,0|2,0,0]=4 70 B8R0.1 CCOC(=O)CCC#N 4137-1-0R [0,1,1,0,0,0|1,0,1]=4 71 B8R0.3 CCOC(=O)[C@@H](C)OC 2123-1-R4 [0,1,1,0,0,0|2,0,0]=4 72 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [1,1,0,0,0,0|1,0,0]=3 73 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [1,1,0,0,0,0|1,0,1]=4 74 B8R1.2 CC[C@@H]1CNCCO1 4H56-1-R50 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.2 CC[C@H]1CNCCO1 4H56-1-S50 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.2 COC1C=CCCC1 2407-1-00 [1,1,0,0,0,0|0,0,1]=3 77 B8R1.2 COC1CCCCC1 2207-1-07 [1,1,0,0,0,0|0,0,1]=3 78 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [1,1,0,0,0,0|1,0,1]=4 79 B8R1.2 ClCC1CNCCO1 4H33-5-0R [1,1,0,0,0,0|2,0,0]=4 80 B8R1.2 FCC1CCNCC1 3H31-7-0N [1,1,0,0,0,0|1,0,1]=4 81 B8R1.2 ICC1CCNCC1 3H31-M-05 [1,1,0,0,0,0|1,0,1]=4 82 B8R1.2 NCC1COCCO1 4H30-1-D6 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.2 OCC1CCCNC1 4H56-1-910 [1,1,0,0,0,0|1,0,0]=3 84 B8R1.2 OCC1CNCCO1 4H56-5-JJ [1,1,0,0,0,0|2,0,0]=4 85 B8R1.2 OCC1COCCN1 4H56-5-JK [1,1,0,0,0,0|2,0,0]=4 86 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [1,1,0,0,0,0|1,0,1]=4 87 B8R1.3 CN1CCC(Br)CC1 3H32-9-AF [1,1,0,0,0,0|1,0,1]=4 88 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [1,1,0,0,0,0|1,0,0]=3 89 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [1,1,0,0,0,0|0,0,0]=2 90 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [1,1,0,0,0,0|0,0,0]=2 91 B8R1.5 CC1COCCC1=O 2H17-1-79 [1,1,0,0,0,0|1,0,0]=3 92 B8R1.5 C[C@@H]1CNCCN1C 3H31-1-R0 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.5 C[C@H]1CNCCN1C 3H31-1-S0 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.5 N[C@@H]1CCOC[C@@H]1F 4H56-7-2D [1,1,0,0,0,0|2,0,0]=4 95 B8R1.5 N[C@@H]1CCOC[C@H]1F 4H56-7-2E [1,1,0,0,0,0|2,0,0]=4 96 B8R1.5 N[C@@H]1CCOC[C@H]1O 4H56-1-144 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.5 N[C@H]1CCOC[C@@H]1O 4H56-5-C4 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [1,1,0,0,0,0|1,0,0]=3 99 B8R1.5 O[C@@H]1CCNC[C@@H]1F 4H56-7-2G [1,1,0,0,0,0|2,0,0]=4 100 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-2H [1,1,0,0,0,0|2,0,0]=4 101 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-71 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.5 O[C@H]1CNCC[C@@H]1F 4H56-7-68 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.5 [C@@H]1(O)COCC[C@H]1N 4H56-5-9X [1,1,0,0,0,0|2,0,0]=4 104 B8R1.72 CC1(F)CCNCC1 3H31-7-65 [1,1,0,0,0,0|1,0,1]=4 105 B8R1.72 CC1(O)CCOCC1 2H10-1-Z0 [1,1,0,0,0,0|1,0,1]=4 106 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,1,0,0,1,0|1,0,1]=4 107 B8R1.1 CN1CCC(CCl)C1 3H32-5-HY [0,1,0,0,1,0|2,0,0]=4 108 B8R1.1 CN1CC[C@@H](CO)C1 4H56-1-RZ [0,1,0,0,1,0|2,0,0]=4 109 B8R1.1 CN1CC[C@H](CN)C1 3H30-1-DU [0,1,0,0,1,0|2,0,0]=4 110 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,1,0,0,1,0|1,0,0]=3 111 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,1,0,0,1,0|1,0,0]=3 112 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,1,0,0,1,0|1,0,0]=3 113 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,1,0,0,1,0|1,0,0]=3 114 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,1,0,0,1,0|1,0,0]=3 115 B8R1.51 O=C1CCS(=O)(=O)C1 6H63-1-09 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.2 CN1C(=O)CCCC1CN 4H48-5-BA [0,2,0,0,0,0|1,0,0]=3 117 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.113 O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,2,0,0,0,0|0,0,1]=3 119 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,2,0,0,0,0|1,0,1]=4 120 B10R1.176 CN1CCC(CO)CC1=O 4H56-1-098 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.485 CC1(C#N)CCCC(=O)C1 4H37-1-3X [0,2,0,0,0,0|0,0,0]=2 122 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,0,1,1,0,0|2,0,0]=4 124 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,0,1,1,0,0|2,0,0]=4 125 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [0,0,1,1,0,0|2,0,0]=4 126 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,0,1,1,0,0|2,0,0]=4 127 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,0,1,1,0,0|1,0,0]=3 128 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,0,1,1,0,0|2,0,0]=4 129 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,0,1,1,0,0|2,0,0]=4 130 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,0,1,1,0,0|2,0,0]=4 131 B8R1.22 CC1CCCCCN1 3H31-1-F4 [0,0,1,1,0,0|1,0,1]=4 132 B8R1.8 NNCC1CCCC1 3239-1-02 [0,0,1,1,0,0|2,0,0]=4 133 B8R1.8 OCCC1CCCC1 2201-1-0D [0,0,1,1,0,0|0,0,2]=4 134 B8R2.25 C1CCC2NC2C1 3H31-1-4H [1,0,0,1,0,0|1,0,1]=4 135 B8R2.34 C1CC2CCC1N2 3H31-1-0Z [1,0,0,1,0,0|1,0,1]=4 136 B10R2.31 CN1CC[C@@H]2CN[C@@H]2C1 3H31-1-9H [0,1,0,1,0,0|2,0,0]=4 137 B10R2.31 CN1CC[C@@H]2NC[C@@H]2C1 3H31-1-9K [0,1,0,1,0,0|2,0,0]=4 138 B10R2.31 CN1CC[C@H]2CN[C@H]2C1 3H31-1-9J [0,1,0,1,0,0|2,0,0]=4 139 B10R2.31 CN1CC[C@H]2CN[C@H]2C1 3H31-1-9M [0,1,0,1,0,0|2,0,0]=4 140 B10R2.31 CN1CC[C@H]2NC[C@H]2C1 3H31-1-9L [0,1,0,1,0,0|2,0,0]=4 141 B10R2.31 CN1CC[C@H]2NC[C@H]2C1 3H31-1-9N [0,1,0,1,0,0|2,0,0]=4 142 B10R2.408 C1CC2CNCC(C1)C2 3H31-5-0C [0,1,0,1,0,0|1,0,1]=4 143 B10R2.534 O=C1CCCC2(CC2)C1 2217-1-0D [0,1,0,1,0,0|0,0,0]=2 144 B10R2.534 O=C1CNCC2(CC2)N1 4H48-1-018 [0,1,0,1,0,0|2,0,0]=4 145 B6R0.3 CCC(F)C(=O)O 2121-3-0L [0,0,1,0,1,0|2,0,0]=4 146 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [1,0,0,0,1,0|1,0,0]=3 147 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [1,0,0,0,1,0|2,0,0]=4 148 B6R1.2 O=C1CCNN1 4H48-5-FV [1,0,0,0,1,0|2,0,0]=4 149 B6R1.5 C=C1CC(N)C1 3330-5-00 [0,0,0,0,2,0|2,0,0]=4 150 B6R1.5 CN1CC(=O)C1 4H17-5-2E [0,0,0,0,2,0|1,0,0]=3 151 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [0,0,0,0,2,0|1,0,1]=4 152 B6R1.5 O=C1CC(Br)C1 2217-9-03 [0,0,0,0,2,0|1,0,0]=3 153 B6R1.5 O=C1CC(F)C1 2217-3-0D [0,0,0,0,2,0|1,0,0]=3 154 B6R1.5 O=C1CC(O)C1 2220-1-00 [0,0,0,0,2,0|1,0,0]=3