0 B9R0.17 C(CCl)N(CCCl)CCCl TS38710 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.17 C(CCl)N(CCCl)CCCl TS57487 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.17 C(CN(CCN)CCN)N TS40464 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.17 C(CN(CCO)CCO)N TS07456 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.17 C(CO)N(CCO)CCO TS31203 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.17 C(CO)N(CCO)CCO TS40738 [0,0,0,0,0,0|0,0,0]=0 6 B9R0.17 C(CO)N(CCO)CCO TS48803 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.17 C(CO)N(CCO)CCO TS59839 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.17 C=CCN(CCO)CC=C TS06610 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.17 CCCC(CCC)CCC TS06781 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.17 CCCC(CCC)CCO TS40247 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.17 CCCN(CCC)CC#C TS06400 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.17 CCCN(CCC)CC#N TS37420 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.17 CCCN(CCC)CCC TS06889 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.17 CCCN(CCC)CCN TS07035 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.17 CCCN(CCC)CCO TS40333 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.17 CCCP(CCC)CCC TS11299 [0,0,0,0,0,0|3,1,0]=4 17 B9R0.17 CCC[Al](CCC)CCC TS41672 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.17 CCC[SiH](CCC)CCC TS11073 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.22 C(CO)N(CCO)N=O TS36802 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.22 CCCC(CC)CCC TS05410 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.22 CCCC(CCO)SC TS40691 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.22 CCN(CCO)CCO TS05834 [1,0,0,0,0,0|0,0,0]=1 23 B10R0.79 C(CO)N(CCO)CC(=O)O TS11680 [0,1,0,0,0,0|0,0,1]=2 24 B10R0.79 C(CO)N(CCO)CC(=O)[O-] TS48713 [0,1,0,0,0,0|0,0,2]=3 25 B10R0.79 CC(C)CN(CCO)CCO TS42338 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.79 CCCN(CCC)CC(=O)O TS11164 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.90 C(CN(CCO)CCO)C#N TS10999 [0,1,0,0,0,0|1,0,0]=2 28 B10R0.90 C(CN(CCO)CCO)CO TS42593 [0,1,0,0,0,0|0,0,0]=1 29 B10R0.90 C(CN)CN(CCO)CCO TS59658 [0,1,0,0,0,0|1,0,0]=2 30 B10R0.90 CCCCN(CCO)CCO TS42343 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.10 C1CN(CC(=O)N1)CCO TS40172 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.85 C1CCCN(CC1)CCCl TS42366 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.85 C1CCCN(CC1)CCN TS37666 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.85 C1CCCN(CC1)CCO TS40104 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.85 C1CNCCN(C1)CCO TS39233 [0,0,0,1,0,0|2,0,0]=3 36 B7R0.7 C(CO)C(=O)CCO TS04717 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.7 C(CS(=O)CCO)O TS06287 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.7 CC(CCO)CCO TS04739 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.7 CCCC(C)CCO TS32249 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.7 CCCN(C)CCC TS04549 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.7 CCC[C@@H](C)CCO TS32231 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.7 CN(CCN)CCN TS32301 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.7 CN(CCO)CCO TS04786 [2,0,0,0,0,0|0,0,0]=2 44 B7R0.12 CCC(CC)CCO TS32252 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.12 CCCC(CC)CC TS04503 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.12 CCCC(CC)CO TS32241 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.12 CCCC(CO)CO TS32343 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.12 CCCN(CC)CC TS04562 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.12 CCN(CC)CC#C TS10858 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.12 CCN(CC)CC#C TS31889 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.12 CCN(CC)CC=C TS32028 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.12 CCN(CC)CCBr TS29610 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.12 CCN(CC)CCCl TS06027 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.12 CCN(CC)CCCl TS13111 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.12 CCN(CC)CCN TS16125 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.12 CCN(CC)CCN TS56347 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.12 CCN(CC)CCO TS32287 [2,0,0,0,0,0|0,0,0]=2 58 B7R0.12 CCN(CC)CCO TS41323 [2,0,0,0,0,0|0,0,0]=2 59 B7R0.12 CCN(CC)CCO TS92957 [2,0,0,0,0,0|0,0,0]=2 60 B7R0.12 CCN(CC)CCS TS36786 [2,0,0,0,0,0|0,1,0]=3 61 B7R0.12 CCN(CC)CCS TS45065 [2,0,0,0,0,0|0,1,0]=3 62 B7R0.12 CCN(CCO)N=O TS32331 [2,0,0,0,0,0|1,0,1]=4 63 B9R0.15 C(CO)N(CCO)C(=S)[S-] TS69941 [1,1,0,0,0,0|0,1,1]=4 64 B9R0.15 C(CO)N(CCO)C(=S)[S-] TS69993 [1,1,0,0,0,0|0,1,1]=4 65 B9R0.15 CC(C)N(CCO)CCO TS07369 [1,1,0,0,0,0|0,0,0]=2 66 B11R0.35 C(CO)N(CC(=O)O)CC(=O)O TS13973 [0,2,0,0,0,0|0,0,2]=4 67 B11R0.80 CCCN(CCC)CCCCO TS45679 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.158 CCCCN(CCCC)CCO TS45675 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.2 CCN1CCCC(C1)Cl TS07397 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.2 CCN1CCCC(C1)N TS36358 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.2 CCN1CCCC(C1)O TS05480 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.8 C1CCN(CC1)CCCl TS07395 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.8 C1CCN(CC1)CCCl TS15231 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.8 C1CCN(CC1)CCN TS22816 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.8 C1CCN(CC1)CCO TS05482 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.8 C1CN(CCN1)CCN TS36436 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.8 C1CN(CCN1)CCO TS56335 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.8 C1CNCCC1CCO TS71281 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 C1COCCC1CCBr TS70729 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 C1COCCC1CCN TS09523 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.8 C1COCCC1CCN TS12114 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.8 C1COCCC1CCO TS60058 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.8 C1COCCN1CC#N TS05167 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.8 C1COCCN1CCCl TS48837 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.8 C1COCCN1CCCl TS70732 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.8 C1COCCN1CCN TS05571 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.8 C1COCCN1CCO TS36591 [1,0,0,1,0,0|0,0,0]=2 88 B9R1.8 C1CSCCN1CCN TS40468 [1,0,0,1,0,0|1,1,0]=4 89 B9R1.8 C1CSCCN1CCO TS23011 [1,0,0,1,0,0|0,1,0]=3 90 B9R1.8 C=CCN1CCOCC1 TS05279 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.8 CCCN1CCNCC1 TS59318 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.14 CCN1CCCC1CN TS87964 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.14 CCN1CCC[C@@H]1CN TS46580 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.33 C1COC(=O)N1CCO TS05635 [1,0,0,1,0,0|0,0,2]=4 95 B11R1.1242 C1COC(O1)(CCO)CCO TS11531 [0,1,0,1,0,0|1,0,0]=3