0 B4R0.2 C=C=CCC 4475AL [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 C=C\C=C/C 7414AL [0,0,0,0,0,0|1,0,3]=4 2 B4R0.2 CCC=NO 0148AQ [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 CCSCC E138 [0,0,0,0,0,0|0,0,0]=0 4 B4R0.2 CNCCBr 8487AH [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 CNCCF 1721AJ [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 CNCCF 8506AH [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 CSCCN 6224AD [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 C\C=C/CO 5583AB [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 C\C=C\CBr 8491AJ [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 NCCON 6473AB [0,0,0,0,0,0|4,0,0]=4 11 B3R0.1 C=CCF 0124AF [1,0,0,0,0,0|1,0,2]=4 12 B3R0.1 CC#CI 4962AL [1,0,0,0,0,0|1,0,2]=4 13 B3R0.1 FCCF 6901AE [1,0,0,0,0,0|2,0,0]=3 14 B3R0.1 NCCN Y1426 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CC(C)CNN X2968 [0,1,0,0,0,0|3,0,0]=4 16 B5R0.1 CC(O)CNN 6211AD [0,1,0,0,0,0|3,0,0]=4 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|2,0,1]=4 19 B5R0.1 CCSC(=S)[S-] Y8841 [0,1,0,0,0,0|1,0,1]=3 20 B5R0.1 CNCC(F)F 8439AH [0,1,0,0,0,0|3,0,0]=4 21 B5R0.1 C[C@H](N)CC#N 0475AC [0,1,0,0,0,0|2,0,1]=4 22 B5R0.1 C[C@H](O)CC#N 4512AA [0,1,0,0,0,0|2,0,1]=4 23 B5R0.2 C=CC\C=C/C 0307AQ [0,1,0,0,0,0|1,0,2]=4 24 B5R0.2 CCC#CCCl 4814AL [0,1,0,0,0,0|1,0,1]=3 25 B5R0.2 CCCC#CI 4943AL [0,1,0,0,0,0|1,0,2]=4 26 B5R0.2 CCSCCN 4637AB [0,1,0,0,0,0|0,0,0]=1 27 B5R0.2 O=CNCCO 0539AQ [0,1,0,0,0,0|2,0,1]=4 28 B5R0.2 OC\C=C\CCl 9318AA [0,1,0,0,0,0|2,0,1]=4 29 B5R0.2 OC\C=C\CO Z3450 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.3 CC(CO)CBr Z3560 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.3 CC[C@@H](C)CO 1205AL [0,1,0,0,0,0|2,0,0]=3 32 B5R0.3 CC[SiH](C)CC 8570AJ [0,1,0,0,0,0|1,0,0]=2 33 B5R0.3 CN[C@H](C)CO X7939 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.3 COC(C)CN 8504AE [0,1,0,0,0,0|3,0,0]=4 35 B5R0.3 C[C@@H](CN)CO 1849AF [0,1,0,0,0,0|3,0,0]=4 36 B5R0.3 NC(CO)CO V0534 [0,1,0,0,0,0|3,0,0]=4 37 B5R0.3 OC(CI)CI 7596AB [0,1,0,0,0,0|3,0,0]=4 38 B5R1.2 BrC1CNC1 1820AC [0,0,0,1,0,0|3,0,0]=4 39 B5R1.2 FC1CNC1 W7888 [0,0,0,1,0,0|3,0,0]=4 40 B5R1.2 FC1COC1 8722AD [0,0,0,1,0,0|3,0,0]=4 41 B5R1.2 NC1CSC1 V9418 [0,0,0,1,0,0|3,0,0]=4 42 B5R1.3 ICC1CO1 1811AL [0,0,0,1,0,0|3,0,0]=4 43 B5R1.3 NNC1CC1 3561AA [0,0,0,1,0,0|3,0,0]=4 44 B2R0.1 CC#N 0273AP [2,0,0,0,0,0|1,0,1]=4 45 B4R0.1 C#CC(C)Cl 6017AL [1,1,0,0,0,0|0,0,2]=4 46 B4R0.1 CC(N)C#N V7482 [1,1,0,0,0,0|1,0,1]=4 47 B4R0.1 CC(S)CS 4476AL [1,1,0,0,0,0|1,0,0]=3 48 B4R0.1 CCC(=O)S Y1833 [1,1,0,0,0,0|1,0,1]=4 49 B4R0.1 OCC(Cl)Cl X3582 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.1 CC(CN)CCN 8800AC [0,2,0,0,0,0|2,0,0]=4 51 B6R0.1 CCCC(=O)OC 8838AJ [0,2,0,0,0,0|1,0,1]=4 52 B6R0.1 CCCC(Cl)CC 6028AL [0,2,0,0,0,0|1,0,0]=3 53 B6R0.1 CCCC(Cl)CCl 7311AF [0,2,0,0,0,0|1,0,0]=3 54 B6R0.1 CCNC(C)CO 8218AD [0,2,0,0,0,0|1,0,0]=3 55 B6R0.1 CCOC(C)CO 2072AL [0,2,0,0,0,0|0,1,0]=3 56 B6R0.1 CCOC(Cl)CCl V0733 [0,2,0,0,0,0|0,1,0]=3 57 B6R0.1 CNCC(C)CN 8369AL [0,2,0,0,0,0|2,0,0]=4 58 B6R0.1 COC(=N)CCCl 3040AC [0,2,0,0,0,0|2,0,0]=4 59 B6R0.1 COC(=N)CCCl W4440 [0,2,0,0,0,0|2,0,0]=4 60 B6R0.1 COC[C@H](C)CO 5230AC [0,2,0,0,0,0|2,0,0]=4 61 B6R0.1 OCC[C@@H](O)CO W7968 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.2 CC(Br)CC(C)Br 5299AL [0,2,0,0,0,0|1,0,0]=3 63 B6R0.2 CC(C)=CC(C)C 5316AL [0,2,0,0,0,0|1,0,1]=4 64 B6R0.3 C\C=C(/C)C(C)C 9218AL [0,2,0,0,0,0|1,0,1]=4 65 B6R0.3 C\C=C(\C)C(C)C 7430AL [0,2,0,0,0,0|1,0,1]=4 66 B6R0.4 CC(C)=CCCO 1893AC [0,2,0,0,0,0|1,0,1]=4 67 B6R0.4 CC(N)CCCN U481 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.4 CCCC[Sn](=O)O 8518AL [0,2,0,0,0,0|2,0,0]=4 69 B6R0.4 CCOCC(C)N 0535AD [0,2,0,0,0,0|0,1,0]=3 70 B6R0.5 CC(C)(O)CCN 8810AD [0,2,0,0,0,0|2,0,0]=4 71 B6R0.5 CCOC(C)(C)C 7559AF [0,2,0,0,0,0|0,1,0]=3 72 B6R0.6 C#CCOCCN 4990AL [0,2,0,0,0,0|0,1,1]=4 73 B6R0.6 CC=C=CCCO 1076AQ [0,2,0,0,0,0|1,0,1]=4 74 B6R0.6 CCCSCCN 1695AE [0,2,0,0,0,0|0,0,0]=2 75 B6R0.6 COCCCC=O Y8222 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.6 N#CCCCCS 1133AQ [0,2,0,0,0,0|1,0,1]=4 77 B6R0.6 NNCCCCO 2732AL [0,2,0,0,0,0|2,0,0]=4 78 B6R1.2 BrC1CCNC1 Z2707 [0,1,0,1,0,0|1,0,0]=3 79 B6R1.2 CC1=CCCO1 0728AQ [0,1,0,1,0,0|0,1,1]=4 80 B6R1.2 ClC1CCOC1 X2032 [0,1,0,1,0,0|0,1,0]=3 81 B6R1.2 OC1CCSC1 Y1949 [0,1,0,1,0,0|0,0,0]=2 82 B6R1.2 OC1CNOC1 0177AF [0,1,0,1,0,0|1,1,0]=4 83 B6R1.3 C#CCC1CC1 Y1476 [0,1,0,1,0,0|1,0,1]=4 84 B6R1.5 CC1CC(O)C1 0711AB [0,1,0,1,0,0|1,0,0]=3 85 B6R1.5 NC1CC(F)C1 2738AD [0,1,0,1,0,0|2,0,0]=4 86 B6R1.5 NC1CC(N)C1 5271AC [0,1,0,1,0,0|2,0,0]=4 87 B6R1.8 CCC1CC1N 1705AJ [0,1,0,1,0,0|1,0,0]=3 88 B6R1.9 CC1(C)CC1N 1319AJ [0,1,0,1,0,0|2,0,0]=4 89 B6R1.10 CC1(N)CSC1 3915AF [0,1,0,1,0,0|2,0,0]=4 90 B6R1.1 C1CSCCS1 U566 [0,1,0,1,0,0|0,0,0]=2 91 B6R1.4 NC1CCC1=O V9854 [0,1,0,1,0,0|2,0,0]=4 92 B6R1.6 ClCC1COC1 2027AJ [0,1,0,1,0,0|2,0,0]=4 93 B6R1.7 CC1(CO)CC1 8973AD [0,1,0,1,0,0|2,0,0]=4 94 B6R1.7 NCC1(N)CC1 9517AH [0,1,0,1,0,0|2,0,0]=4 95 B6R1.7 NCC1(N)CC1 9518AH [0,1,0,1,0,0|2,0,0]=4