0 B5R0.1 C(CO)C(N)O DA-29834 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(=O)CCN DA-21357 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(C)C#CO DA-23402 [0,0,0,0,0,0|0,0,3]=3 3 B5R0.1 CC(C)CC#C DA-39164 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 CCCC(C)N DA-25725 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CN(C)CC=O DA-27712 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CN(C)CC=O DA-27713 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.1 CN(C)CC=O DA-27714 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.1 C\C(=C/C=O)\Br DA-32109 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.2 CSCCI DA-47993 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CC(CCO)C=C DA-23352 [0,1,0,0,0,0|0,0,3]=4 11 B6R0.1 CCC(C)CCCl DA-29559 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.1 CCNC(=O)OC DA-41968 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.1 CCNC(C)CO DA-27702 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.2 B(C=C(C)C)(O)O DA-35283 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.2 CC(=CC(=O)N)N DA-24318 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.2 CC(CN(C)C)N DA-46451 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.2 C\C(=C\C(=O)C)\[O-] DA-34907 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.3 CC(C)C(CN)N DA-23404 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.4 C(C#CC(=O)O)O DA-41575 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.4 C(CO)NC(=S)N DA-42881 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.4 CC(=C)CCC#N DA-39108 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.4 CC(=C)CCC=O DA-39109 [0,1,0,0,0,0|0,0,3]=4 23 B6R0.4 CC(=O)OCC=O DA-27942 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.4 CC(C)CCCCl DA-29542 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.4 CC(C)NCCCl DA-41865 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.5 CC(C)(CCO)N DA-25577 [0,1,0,0,0,0|0,0,2]=3 27 B6R1.2 CC1=NCON1 DA-27205 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.2 CC1=NNCC1 DA-22085 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 Cc1ccc[nH]1 DA-25958 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.3 C1CC1CCI DA-32105 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.8 C=C1CC1CBr DA-30696 [0,0,0,1,0,0|1,0,2]=4 32 B5R0.3 C(C(=O)C=O)Cl DA-23845 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.3 CN(C=O)OC DA-42814 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.4 CC(C)(CBr)F DA-29680 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.4 CC(C)(CO)F DA-26205 [1,1,0,0,0,0|0,0,1]=3 36 B5R0.4 CC(C)(CO)O DA-42092 [1,1,0,0,0,0|0,0,1]=3 37 B5R0.5 C=C(C(=O)O)F DA-28919 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.5 CC(C)C(=N)N DA-25790 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.2 C=CC=CCBr DA-37930 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.2 CC(=O)NC(=O)CCl DA-43520 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.2 CC(=S)CC(=O)CCl DA-29563 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.2 CC(C)CC(=O)CBr DA-29611 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.2 CC(C)CC(C#C)O DA-37159 [0,2,0,0,0,0|0,0,2]=4 44 B7R0.5 CCOC(=N)C(C)C DA-33642 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.5 CN(C)C(=O)CCCl DA-23719 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.5 CN(C)C(=O)CON DA-45503 [0,2,0,0,0,0|1,0,0]=3 47 B7R0.7 CN(CCN)CCO DA-27048 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.16 CC(=C(N(C)C)Cl)C DA-29502 [0,2,0,0,0,0|2,0,0]=4 49 B7R0.16 CC(C)C(=O)C(C)Br DA-26835 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.15 CN(C)C(CO)CO DA-27734 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.4 CC(=O)NCCCO DA-48072 [0,2,0,0,0,0|1,0,1]=4 52 B7R0.4 CC(C)NCCOC DA-48104 [0,2,0,0,0,0|0,0,2]=4 53 B7R0.8 CC(C)(C#CCO)O DA-39137 [0,2,0,0,0,0|0,0,2]=4 54 B7R0.8 CC(C)(C)CCCO DA-22054 [0,2,0,0,0,0|0,0,2]=4 55 B7R0.8 C[Si](C)(C)CCCO DA-24837 [0,2,0,0,0,0|0,1,1]=4 56 B5R1.1 C1N=CNO1 DA-27209 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.1 C1C=C(CS1)C=O DA-27203 [0,1,0,1,0,0|0,1,1]=4 58 B7R1.1 C1CC=C(C1)CBr DA-30681 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.1 CSC1=NCCC1 DA-24719 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.2 C1C(C=CC1=O)O DA-39357 [0,1,0,1,0,0|1,0,0]=3 61 B7R1.2 Cc1ccc(s1)O DA-37079 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.3 C1C=C(C=CO1)N DA-26180 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.3 C1C=CC(=O)CO1 DA-39998 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.3 C1C=CC(CO1)O DA-42425 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.3 C1CC(=COC1)Br DA-37788 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.3 C1COCC=C1Br DA-39895 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.3 C=C1CCOCC1 DA-42620 [0,1,0,1,0,0|0,0,2]=4 68 B7R1.3 CC1CCOCC1 DA-42393 [0,1,0,1,0,0|0,0,2]=4 69 B7R1.4 Cc1cnoc1C DA-21946 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.6 C1C(=CC#N)CN1 DA-27903 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.10 C1C(CC1=O)CO DA-25588 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.10 CNC1CC(C1)O DA-24867 [0,1,0,1,0,0|0,0,2]=4 73 B7R1.21 C1CC1(CCO)Br DA-29600 [0,1,0,1,0,0|0,0,2]=4 74 B7R1.7 C1CC1C#CCO DA-48339 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.7 C1CC1CCCO DA-34927 [0,1,0,1,0,0|0,0,2]=4 76 B7R1.14 CC1(CCOC1)O DA-41808 [0,1,0,1,0,0|0,0,2]=4 77 B7R1.14 CC1(NCCO1)C DA-27473 [0,1,0,1,0,0|0,0,2]=4