0 B4R0.1 C#CC(C)Cl 6017AL [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C=CB(O)O X3458 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 CC(N)C#N V7482 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(S)CS 4476AL [0,0,0,0,0,0|1,1,0]=2 4 B4R0.1 CCC(=O)S Y1833 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 O=CC(Cl)Cl 6817AF [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 OCC(Cl)Cl X3582 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.1 C=CCF 0124AF [1,0,0,0,0,0|1,0,2]=4 8 B3R0.1 CC#CI 4962AL [1,0,0,0,0,0|1,0,2]=4 9 B3R0.1 FCCF 6901AE [1,0,0,0,0,0|2,0,0]=3 10 B3R0.1 NCCN Y1426 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.2 CC(=O)O O309 [1,0,0,0,0,0|1,0,1]=3 12 B3R0.2 CC(=O)[O-] E849 [1,0,0,0,0,0|1,0,2]=4 13 B3R0.2 O=[Si](O)O 8695AF [1,0,0,0,0,0|2,1,0]=4 14 B5R0.1 C#CCN(C)C 4830AL [0,1,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(C)CNN X2968 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(O)CNN 6211AD [0,1,0,0,0,0|1,0,0]=2 17 B5R0.1 CCC=C(F)F 2794AE [0,1,0,0,0,0|2,0,1]=4 18 B5R0.1 CCNC(=O)Cl Y1298 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.1 CCSC(=S)[S-] Y8841 [0,1,0,0,0,0|1,1,1]=4 20 B5R0.1 CNCC(F)F 8439AH [0,1,0,0,0,0|2,0,0]=3 21 B5R0.1 C[C@H](N)CC#N 0475AC [0,1,0,0,0,0|1,0,1]=3 22 B5R0.1 C[C@H](O)CC#N 4512AA [0,1,0,0,0,0|0,0,1]=2 23 B5R0.1 NCCC(N)=O 6432AB [0,1,0,0,0,0|1,0,2]=4 24 B5R0.3 C#CC(O)C#C 8280AB [0,1,0,0,0,0|0,0,3]=4 25 B5R0.3 C#CC(O)C=C 4300AD [0,1,0,0,0,0|0,0,3]=4 26 B5R0.3 C=CC(C)ON 4428AJ [0,1,0,0,0,0|0,0,2]=3 27 B5R0.3 C=C[C@@H](N)CO 3384AB [0,1,0,0,0,0|1,0,2]=4 28 B5R0.3 C=C\C(C)=C\C 6089AL [0,1,0,0,0,0|1,0,2]=4 29 B5R0.3 CC(CO)CBr Z3560 [0,1,0,0,0,0|1,0,0]=2 30 B5R0.3 CC[C@@H](C)CO 1205AL [0,1,0,0,0,0|0,0,0]=1 31 B5R0.3 CC[SiH](C)CC 8570AJ [0,1,0,0,0,0|1,1,0]=3 32 B5R0.3 CN[C@H](C)CO X7939 [0,1,0,0,0,0|1,0,0]=2 33 B5R0.3 COC(C)CN 8504AE [0,1,0,0,0,0|1,0,0]=2 34 B5R0.3 C[C@@H](CN)CO 1849AF [0,1,0,0,0,0|1,0,0]=2 35 B5R0.3 NC(CO)CO V0534 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.3 O=CC(O)CO 7054AF [0,1,0,0,0,0|1,0,1]=3 37 B5R0.3 OC(CI)CI 7596AB [0,1,0,0,0,0|1,0,0]=2 38 B5R0.4 C#CC(C)(C)Br Y9639 [0,1,0,0,0,0|1,0,2]=4 39 B5R0.4 COC(F)(F)F 3051AE [0,1,0,0,0,0|3,0,0]=4 40 B5R0.5 CC(=O)C(C)N X5091 [0,1,0,0,0,0|0,0,2]=3 41 B5R0.5 CC(O)C(=O)O Y1768 [0,1,0,0,0,0|1,0,1]=3 42 B5R0.5 C[C@H](O)[C@H](C)O H556 [0,1,0,0,0,0|0,0,0]=1 43 B5R0.5 FC(Cl)C(F)Cl 3271AE [0,1,0,0,0,0|3,0,0]=4 44 B5R1.2 BrC1CNC1 1820AC [0,0,0,1,0,0|2,0,0]=3 45 B5R1.2 FC1CNC1 W7888 [0,0,0,1,0,0|2,0,0]=3 46 B5R1.2 FC1COC1 8722AD [0,0,0,1,0,0|2,0,0]=3 47 B5R1.2 NC1CSC1 V9418 [0,0,0,1,0,0|2,0,0]=3 48 B5R1.2 O=C1CNC1 3824AJ [0,0,0,1,0,0|1,0,2]=4 49 B5R1.3 ICC1CO1 1811AL [0,0,0,1,0,0|1,0,0]=2 50 B5R1.3 NNC1CC1 3561AA [0,0,0,1,0,0|3,0,0]=4 51 B5R1.5 CC1(C)CN1 8787AD [0,0,0,1,0,0|2,0,0]=3 52 B2R0.1 CC#N 0273AP [2,0,0,0,0,0|1,0,1]=4 53 B4R0.2 C=C=CCC 4475AL [1,1,0,0,0,0|0,0,2]=4 54 B4R0.2 CCC=NO 0148AQ [1,1,0,0,0,0|0,0,1]=3 55 B4R0.2 CCSCC E138 [1,1,0,0,0,0|0,0,0]=2 56 B4R0.2 CNCCBr 8487AH [1,1,0,0,0,0|1,0,0]=3 57 B4R0.2 CNCCF 1721AJ [1,1,0,0,0,0|1,0,0]=3 58 B4R0.2 CNCCF 8506AH [1,1,0,0,0,0|1,0,0]=3 59 B4R0.2 CSCCN 6224AD [1,1,0,0,0,0|1,0,0]=3 60 B4R0.2 C\C=C/CO 5583AB [1,1,0,0,0,0|0,0,1]=3 61 B4R0.2 C\C=C\CBr 8491AJ [1,1,0,0,0,0|0,0,2]=4 62 B4R0.2 NCCON 6473AB [1,1,0,0,0,0|1,0,0]=3 63 B4R0.3 C[N+](C)(C)C 0656AP [1,1,0,0,0,0|2,0,0]=4 64 B6R0.1 CC(CN)CCN 8800AC [0,2,0,0,0,0|1,0,0]=3 65 B6R0.1 CCCC(=O)OC 8838AJ [0,2,0,0,0,0|0,0,2]=4 66 B6R0.1 CCCC(Cl)CC 6028AL [0,2,0,0,0,0|1,0,0]=3 67 B6R0.1 CCCC(Cl)CCl 7311AF [0,2,0,0,0,0|1,0,0]=3 68 B6R0.1 CCNC(C)CO 8218AD [0,2,0,0,0,0|0,0,0]=2 69 B6R0.1 CCOC(C)CO 2072AL [0,2,0,0,0,0|0,0,0]=2 70 B6R0.1 CCOC(Cl)CCl V0733 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.1 CNCC(C)CN 8369AL [0,2,0,0,0,0|1,0,0]=3 72 B6R0.1 COC(=N)CCCl 3040AC [0,2,0,0,0,0|1,0,1]=4 73 B6R0.1 COC(=N)CCCl W4440 [0,2,0,0,0,0|1,0,1]=4 74 B6R0.1 COCC(N)=NO 6397AC [0,2,0,0,0,0|1,0,1]=4 75 B6R0.1 COC[C@H](C)CO 5230AC [0,2,0,0,0,0|0,0,0]=2 76 B6R0.1 OCC[C@@H](O)CO W7968 [0,2,0,0,0,0|0,0,0]=2 77 B6R0.2 CC(=O)CN(C)C 4784AD [0,2,0,0,0,0|0,0,2]=4 78 B6R0.2 CC(Br)CC(C)Br 5299AL [0,2,0,0,0,0|1,0,0]=3 79 B6R0.2 CC(C)=CC(C)C 5316AL [0,2,0,0,0,0|1,0,1]=4 80 B6R0.2 O=C(O)CC(F)F Z1905 [0,2,0,0,0,0|1,0,1]=4 81 B6R0.3 CC(=O)[C@@H](N)CO 5840AA [0,2,0,0,0,0|0,0,2]=4 82 B6R0.3 CC(C#N)N(C)C 5120AE [0,2,0,0,0,0|2,0,0]=4 83 B6R0.3 CC(C)\C(N)=N\O 4447AB [0,2,0,0,0,0|1,0,1]=4 84 B6R0.3 C[C@H](CN)C(=O)O 0884AB [0,2,0,0,0,0|1,0,0]=3 85 B6R0.3 C[C@H](CO)C(=O)O 9932AA [0,2,0,0,0,0|1,0,0]=3 86 B6R0.3 C\C=C(/C)C(C)C 9218AL [0,2,0,0,0,0|1,0,1]=4 87 B6R0.3 C\C=C(\C)B(O)O 4682AJ [0,2,0,0,0,0|0,0,2]=4 88 B6R0.3 C\C=C(\C)C(C)C 7430AL [0,2,0,0,0,0|1,0,1]=4 89 B6R0.3 ClCC(Cl)C(Cl)Cl 4332AL [0,2,0,0,0,0|2,0,0]=4 90 B6R0.3 NC(CF)C(=O)O 8475AA [0,2,0,0,0,0|1,0,1]=4 91 B6R0.3 NCC(F)C(=O)O X2955 [0,2,0,0,0,0|1,0,1]=4 92 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,2,0,0,0,0|1,0,1]=4 93 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,2,0,0,0,0|1,0,1]=4 94 B6R0.4 CC(C)=CCCO 1893AC [0,2,0,0,0,0|1,0,1]=4 95 B6R0.4 CC(N)CCCN U481 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.4 CCCC[Sn](=O)O 8518AL [0,2,0,0,0,0|2,0,0]=4 97 B6R0.4 CCOCC(C)N 0535AD [0,2,0,0,0,0|1,0,0]=3 98 B6R0.4 C\C=C\CC(=O)O 6149AL [0,2,0,0,0,0|1,0,1]=4 99 B6R0.5 CC(C)(O)CCN 8810AD [0,2,0,0,0,0|0,0,0]=2 100 B6R0.5 CCOC(C)(C)C 7559AF [0,2,0,0,0,0|1,0,0]=3 101 B6R0.5 C[Si](C)(C)CCN 9510AA [0,2,0,0,0,0|1,1,0]=4 102 B6R0.5 FCCC(F)(F)F 3979AE [0,2,0,0,0,0|2,0,0]=4 103 B6R0.5 NCCC(F)(F)Br 7922AD [0,2,0,0,0,0|2,0,0]=4 104 B6R0.8 CCC(Br)(Br)C=O 9986AL [0,2,0,0,0,0|1,0,1]=4 105 B6R0.7 CC(Br)C(F)(F)F 1591AJ [0,2,0,0,0,0|2,0,0]=4 106 B6R0.7 CC(C)(O)C(=N)N 2722AB [0,2,0,0,0,0|1,0,1]=4 107 B6R0.7 CC(I)C(F)(F)F 9560AH [0,2,0,0,0,0|2,0,0]=4 108 B6R0.7 C[C@@H](O)C(F)(F)F 0965AQ [0,2,0,0,0,0|1,0,0]=3 109 B6R0.7 C[C@H](N)C(C)(C)O 9159AH [0,2,0,0,0,0|0,0,0]=2 110 B6R1.2 BrC1CCNC1 Z2707 [0,1,0,1,0,0|1,0,0]=3 111 B6R1.2 CC1=CCCO1 0728AQ [0,1,0,1,0,0|0,0,1]=3 112 B6R1.2 ClC1CCOC1 X2032 [0,1,0,1,0,0|1,0,0]=3 113 B6R1.2 OC1CCSC1 Y1949 [0,1,0,1,0,0|0,0,0]=2 114 B6R1.2 OC1CNOC1 0177AF [0,1,0,1,0,0|1,0,0]=3 115 B6R1.3 C#CCC1CC1 Y1476 [0,1,0,1,0,0|1,0,1]=4 116 B6R1.5 C=C1CC(N)C1 7094AC [0,1,0,1,0,0|1,0,1]=4 117 B6R1.5 CC1CC(O)C1 0711AB [0,1,0,1,0,0|0,0,0]=2 118 B6R1.5 NC1CC(F)C1 2738AD [0,1,0,1,0,0|1,0,0]=3 119 B6R1.5 NC1CC(N)C1 5271AC [0,1,0,1,0,0|1,0,0]=3 120 B6R1.8 CCC1CC1N 1705AJ [0,1,0,1,0,0|1,0,0]=3 121 B6R1.9 CC1(C)CC1N 1319AJ [0,1,0,1,0,0|1,0,0]=3 122 B6R1.10 CC1(N)CSC1 3915AF [0,1,0,1,0,0|1,0,0]=3 123 B6R1.11 O=C(O)C1CO1 4445AJ [0,1,0,1,0,0|1,0,1]=4 124 B6R1.11 O=C(O)[C@@H]1CN1 9211AA [0,1,0,1,0,0|1,0,1]=4 125 B6R1.11 O=C(O)[C@H]1CN1 1874AC [0,1,0,1,0,0|1,0,1]=4 126 B6R1.11 [C@@H]1(C(=O)[O-])CO1 0147AF [0,1,0,1,0,0|1,0,1]=4 127 B6R1.4 NC1CCC1=O V9854 [0,1,0,1,0,0|0,0,2]=4 128 B6R1.6 ClCC1COC1 2027AJ [0,1,0,1,0,0|1,0,0]=3 129 B6R1.7 CC1(C=O)CC1 1659AL [0,1,0,1,0,0|0,0,1]=3 130 B6R1.7 CC1(CO)CC1 8973AD [0,1,0,1,0,0|0,0,0]=2 131 B6R1.7 NCC1(N)CC1 9517AH [0,1,0,1,0,0|1,0,0]=3 132 B6R1.7 NCC1(N)CC1 9518AH [0,1,0,1,0,0|1,0,0]=3