0 B6R1.2 BrC1CCNC1 Z2707 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,0,0,0|1,1,1]=3 2 B6R1.2 ClC1CCOC1 X2032 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 OC1CCSC1 Y1949 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.1 BrCC1CCCN1 X4014 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.1 C#C[C@@H]1CCCN1 1083AL [0,1,0,0,0,0|2,0,1]=4 6 B7R1.1 CCC1=CCCC1 4839AL [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 CCC1OCCO1 8516AD [0,1,0,0,0,0|0,2,0]=3 8 B7R1.1 CNC1CCCC1 W8261 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.1 CNC1CCOC1 2338AF [0,1,0,0,0,0|3,0,0]=4 10 B7R1.1 CN[C@H]1CCOC1 9230AH [0,1,0,0,0,0|3,0,0]=4 11 B7R1.1 ClCC1CCCN1 1675AJ [0,1,0,0,0,0|2,0,0]=3 12 B7R1.1 ClCC1CCNC1 3920AC [0,1,0,0,0,0|3,0,0]=4 13 B7R1.1 ClCC1CCNC1 5321AH [0,1,0,0,0,0|3,0,0]=4 14 B7R1.1 ClC[C@H]1CCCN1 8958AH [0,1,0,0,0,0|2,0,0]=3 15 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,1,0,0,0,0|2,0,0]=3 16 B7R1.1 FC[C@@H]1CCCN1 2327AC [0,1,0,0,0,0|2,0,0]=3 17 B7R1.1 N#CC1CCCN1 3470AA [0,1,0,0,0,0|2,0,1]=4 18 B7R1.1 N#CC1CCCS1 2151AA [0,1,0,0,0,0|1,0,1]=3 19 B7R1.1 N#C[C@H]1CCCN1 0400AC [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 NNC1CCCC1 W7612 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,0,0,0|3,0,0]=4 22 B7R1.2 CC1CSC(=O)S1 0954AB [0,1,0,0,0,0|1,0,1]=3 23 B7R1.2 CN1CC[C@H](N)C1 7273AD [0,1,0,0,0,0|3,0,0]=4 24 B7R1.2 CN1CC[C@H](N)C1 9108AH [0,1,0,0,0,0|3,0,0]=4 25 B7R1.2 C[C@@H]1C[C@@H](O)CN1 0634AC [0,1,0,0,0,0|2,0,0]=3 26 B7R1.2 C[C@H]1CC[C@@H](C)C1 7413AL [0,1,0,0,0,0|2,0,0]=3 27 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,0,0,0|2,0,0]=3 28 B7R1.2 NC1CCC(O)C1 6561AA [0,1,0,0,0,0|3,0,0]=4 29 B7R1.2 N[C@@H]1CC[C@H](O)C1 0868AA [0,1,0,0,0,0|3,0,0]=4 30 B7R1.2 N[C@H]1CC[C@H](O)C1 Z1703 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.4 BrC1CCCC1Br 1288AQ [0,1,0,0,0,0|3,0,0]=4 32 B7R1.4 CC1CNCC1C 1532AC [0,1,0,0,0,0|3,0,0]=4 33 B7R1.4 CC1CNCC1C 7526AB [0,1,0,0,0,0|3,0,0]=4 34 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,0,0,0|3,0,0]=4 35 B7R1.4 NC1CCCC1N 3230AL [0,1,0,0,0,0|3,0,0]=4 36 B7R1.4 N[C@H]1CCC[C@H]1O 3503AB [0,1,0,0,0,0|3,0,0]=4 37 B7R1.4 N[C@H]1CCSC1=O 1317AA [0,1,0,0,0,0|2,0,1]=4 38 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,0,0,0|2,0,0]=3 39 B7R1.14 C[Si]1(C)CCCC1 3234AL [0,1,0,0,0,0|2,1,0]=4 40 B5R0.1 CCSC(=S)[S-] Y8841 [0,0,1,0,0,0|1,0,2]=4 41 B5R0.2 CCC#CCCl 4814AL [0,0,1,0,0,0|2,0,1]=4 42 B5R0.2 CCSCCN 4637AB [0,0,1,0,0,0|1,0,0]=2 43 B5R0.3 CC[C@@H](C)CO 1205AL [0,0,1,0,0,0|3,0,0]=4 44 B5R0.3 CC[SiH](C)CC 8570AJ [0,0,1,0,0,0|2,1,0]=4 45 B5R0.3 CN[C@H](C)CO X7939 [0,0,1,0,0,0|3,0,0]=4 46 B5R0.3 COC(C)CN 8504AE [0,0,1,0,0,0|2,1,0]=4 47 B7R2.11 C1NC2CC1C2 Z1878 [0,0,0,1,0,0|2,0,0]=3 48 B7R2.13 C1CC2CC2N1 1554AJ [0,0,0,1,0,0|2,0,0]=3 49 B5R1.2 BrC1CNC1 1820AC [0,0,0,0,1,0|3,0,0]=4 50 B5R1.2 FC1CNC1 W7888 [0,0,0,0,1,0|3,0,0]=4 51 B5R1.2 FC1COC1 8722AD [0,0,0,0,1,0|3,0,0]=4 52 B5R1.2 NC1CSC1 V9418 [0,0,0,0,1,0|3,0,0]=4 53 B7R1.3 BrC1CCCNC1 7813AB [0,0,0,0,0,1|3,0,0]=4 54 B7R1.3 CC1=NCCNC1 3262AJ [0,0,0,0,0,1|2,0,1]=4 55 B7R1.3 ClC1C=CCCC1 6027AL [0,0,0,0,0,1|3,0,0]=4 56 B7R1.3 ClC1CCCNC1 5322AH [0,0,0,0,0,1|3,0,0]=4 57 B7R1.3 ClC1CCCNC1 X3740 [0,0,0,0,0,1|3,0,0]=4 58 B4R0.1 CC(S)CS 4476AL [1,0,1,0,0,0|1,0,0]=3 59 B4R0.1 CCC(=O)S Y1833 [1,0,1,0,0,0|1,0,1]=4 60 B4R0.2 CCSCC E138 [1,0,1,0,0,0|0,0,0]=2 61 B4R0.2 CNCCBr 8487AH [1,0,1,0,0,0|2,0,0]=4 62 B4R0.2 CNCCF 1721AJ [1,0,1,0,0,0|2,0,0]=4 63 B4R0.2 CNCCF 8506AH [1,0,1,0,0,0|2,0,0]=4 64 B4R0.2 CSCCN 6224AD [1,0,1,0,0,0|1,0,0]=3 65 B6R0.1 CCCC(Cl)CC 6028AL [0,1,1,0,0,0|2,0,0]=4 66 B6R0.1 CCCC(Cl)CCl 7311AF [0,1,1,0,0,0|2,0,0]=4 67 B6R0.1 CCNC(C)CO 8218AD [0,1,1,0,0,0|1,1,0]=4 68 B6R0.1 CCOC(C)CO 2072AL [0,1,1,0,0,0|0,2,0]=4 69 B6R0.1 CCOC(Cl)CCl V0733 [0,1,1,0,0,0|1,1,0]=4 70 B6R0.2 CC(Br)CC(C)Br 5299AL [0,1,1,0,0,0|2,0,0]=4 71 B6R0.4 CC(N)CCCN U481 [0,1,1,0,0,0|2,0,0]=4 72 B6R0.4 CCOCC(C)N 0535AD [0,1,1,0,0,0|1,1,0]=4 73 B6R0.5 CCOC(C)(C)C 7559AF [0,1,1,0,0,0|1,1,0]=4 74 B6R0.6 CCCSCCN 1695AE [0,1,1,0,0,0|1,0,0]=3 75 B6R0.6 N#CCCCCS 1133AQ [0,1,1,0,0,0|1,0,1]=4 76 B6R0.9 C\N=C(/NC)SC 1480AL [0,1,1,0,0,0|1,0,1]=4 77 B6R1.4 NC1CCC1=O V9854 [0,1,0,0,1,0|2,0,0]=4 78 B6R1.5 CC1CC(O)C1 0711AB [0,1,0,0,1,0|1,0,0]=3 79 B6R1.5 NC1CC(F)C1 2738AD [0,1,0,0,1,0|2,0,0]=4 80 B6R1.5 NC1CC(N)C1 5271AC [0,1,0,0,1,0|2,0,0]=4 81 B6R1.6 ClCC1COC1 2027AJ [0,1,0,0,1,0|2,0,0]=4 82 B6R1.10 CC1(N)CSC1 3915AF [0,1,0,0,1,0|2,0,0]=4 83 B8R1.2 BrCC1CCCCO1 Z3437 [0,1,0,0,0,1|1,1,0]=4 84 B8R1.2 BrCC1CCCNC1 5702AJ [0,1,0,0,0,1|2,0,0]=4 85 B8R1.2 BrCC1CCCNC1 7322AC [0,1,0,0,0,1|2,0,0]=4 86 B8R1.2 CC[C@@H]1CNCCN1 W6295 [0,1,0,0,0,1|2,0,0]=4 87 B8R1.2 CC[C@@H]1CNCCO1 5802AA [0,1,0,0,0,1|1,1,0]=4 88 B8R1.2 CC[C@H]1CNCCO1 1583AC [0,1,0,0,0,1|1,1,0]=4 89 B8R1.2 CNC1CCSCC1 7537AD [0,1,0,0,0,1|2,0,0]=4 90 B8R1.2 COC1C=CCCC1 6080AL [0,1,0,0,0,1|2,0,0]=4 91 B8R1.2 ClCC1CCCCO1 9636AA [0,1,0,0,0,1|1,1,0]=4 92 B8R1.2 ClCC1CCNCC1 6001AJ [0,1,0,0,0,1|2,0,0]=4 93 B8R1.2 FCC1CCCNC1 2978AD [0,1,0,0,0,1|2,0,0]=4 94 B8R1.2 NCC1COCCN1 5822AC [0,1,0,0,0,1|1,1,0]=4 95 B8R1.3 C[C@@H]1CN[C@H](C)CN1 9509AB [0,1,0,0,0,1|2,0,0]=4 96 B8R1.3 C[C@@H]1CO[C@H](C)CN1 2239AA [0,1,0,0,0,1|1,1,0]=4 97 B8R1.3 C[C@H]1CO[C@@H](C)CN1 4899AA [0,1,0,0,0,1|1,1,0]=4 98 B8R1.3 C[C@H]1CO[C@H](C)CN1 2238AA [0,1,0,0,0,1|1,1,0]=4 99 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,0,0,1|2,0,0]=4 100 B8R1.4 CC1CCNC(C)C1 W9513 [0,1,0,0,0,1|2,0,0]=4 101 B8R1.4 C[C@@H]1COC[C@@H](C)N1 8801AB [0,1,0,0,0,1|1,1,0]=4 102 B8R1.4 C[C@H]1CN(C)CCN1 9093AH [0,1,0,0,0,1|2,0,0]=4 103 B8R1.4 C[C@H]1CNC[C@H](C)N1 5394AB [0,1,0,0,0,1|2,0,0]=4 104 B8R1.4 C[C@H]1C[C@@H](O)CCO1 2705AC [0,1,0,0,0,1|1,1,0]=4 105 B8R1.4 C[C@H]1C[C@H](O)CCO1 8425AA [0,1,0,0,0,1|1,1,0]=4 106 B8R1.5 CC1CCNCC1O 2894AJ [0,1,0,0,0,1|2,0,0]=4 107 B8R1.5 CC1NCCNC1C 0452AF [0,1,0,0,0,1|2,0,0]=4 108 B8R1.5 C[C@@H]1CCCC[C@@H]1N 8411AH [0,1,0,0,0,1|2,0,0]=4 109 B8R1.5 C[C@@H]1CCNC[C@H]1O 4685AJ [0,1,0,0,0,1|2,0,0]=4 110 B8R1.5 C[C@H]1CCCC[C@@H]1O 9211AL [0,1,0,0,0,1|2,0,0]=4 111 B8R1.5 C[C@H]1CCCC[C@H]1N 8370AH [0,1,0,0,0,1|2,0,0]=4 112 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [0,1,0,0,0,1|2,0,0]=4 113 B8R1.5 C[C@H]1COCC[C@H]1N 8239AE [0,1,0,0,0,1|1,1,0]=4 114 B8R1.72 CC1(N)CCNCC1 0131AB [0,1,0,0,0,1|2,0,0]=4 115 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [0,2,0,0,0,0|1,1,0]=4 116 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [0,2,0,0,0,0|1,1,0]=4 117 B8R1.7 CC(C)C1CCCC1 8114AL [0,2,0,0,0,0|2,0,0]=4 118 B8R1.7 C[C@H](N)C1CCCC1 8399AH [0,2,0,0,0,0|2,0,0]=4 119 B8R1.8 BrCCC1CCCC1 9860AA [0,2,0,0,0,0|2,0,0]=4 120 B8R1.8 ClCCC1OCCO1 6026AB [0,2,0,0,0,0|0,2,0]=4 121 B8R1.8 O=CCC1OCCO1 5104AC [0,2,0,0,0,0|0,2,0]=4 122 B8R1.8 OCCC1CCCN1 1282AJ [0,2,0,0,0,0|2,0,0]=4 123 B8R1.8 OCCC1CCCN1 1283AJ [0,2,0,0,0,0|2,0,0]=4 124 B8R1.11 NCC1CCCC1O 3854AC [0,2,0,0,0,0|2,0,0]=4 125 B8R1.11 N[C@@H]1CCC[C@H]1CO 5456AB [0,2,0,0,0,0|2,0,0]=4 126 B8R1.18 CC1CC(S)C(C)O1 2367AB [0,2,0,0,0,0|1,1,0]=4 127 B8R1.50 CC1CCC(C)C1N 1407AJ [0,2,0,0,0,0|2,0,0]=4 128 B8R1.50 CC1CCC(C)C1N 1408AJ [0,2,0,0,0,0|2,0,0]=4 129 B6R1.8 CCC1CC1N 1705AJ [0,0,1,1,0,0|2,0,0]=4 130 B6R1.1 C1CSCCS1 U566 [0,0,1,1,0,0|0,0,0]=2 131 B8R2.23 C1NCC2CC1C2 2816AB [0,0,0,1,0,1|2,0,0]=4 132 B8R2.23 C1NCC2CC1O2 Y7074 [0,0,0,1,0,1|1,1,0]=4 133 B8R2.23 C1OCC2CC1N2 Y8562 [0,0,0,1,0,1|1,1,0]=4 134 B8R2.25 C1CC2CC2CN1 2159AJ [0,0,0,1,0,1|2,0,0]=4 135 B8R2.25 C1CNC2CC2C1 1556AJ [0,0,0,1,0,1|2,0,0]=4 136 B8R2.34 C1NC2CNC1C2 8401AH [0,0,0,1,0,1|2,0,0]=4 137 B8R2.34 C1OC2CNC1C2 2689AB [0,0,0,1,0,1|1,1,0]=4 138 B8R2.34 [C@@H]12CN[C@@H](CN1)C2 8384AH [0,0,0,1,0,1|2,0,0]=4 139 B8R1.22 CC1CCCNCC1 2641AE [0,0,0,0,0,2|2,0,0]=4