0 B6R0.1 CCC(C)CCO 35939 [0,0,0,0,0,0|1,1,1]=3 1 B6R0.1 COC(C)CCO 35942 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.1 C[C@H](CO)CCO 30370 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.1 CC(C)CCI 3950 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CC(C)CNN 18739 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(C)N=C=S 16501 [1,0,0,0,0,0|0,0,0]=1 6 B5R0.1 CCNC(C)C 10283 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.2 C#CCCCC 13057 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 CCCC#CO 13063 [1,0,0,0,0,0|1,1,1]=4 9 B5R0.2 CCCCCI 3960 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 CCCNCC 10270 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.3 C#CC(O)CC 26391 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 CCC(N)CO 14779 [1,0,0,0,0,0|1,1,1]=4 13 B5R0.3 CC[C@@H](O)CO 14093 [1,0,0,0,0,0|1,1,1]=4 14 B5R0.3 CC[C@H](C)C#N 32183 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.3 CC[C@H](C)CN 16256 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.3 CC[C@H](O)CO 14096 [1,0,0,0,0,0|1,1,1]=4 17 B5R0.3 CO[C@@H](C)CN 17733 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 CO[C@@H](C)CN 17747 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 CO[C@@H](C)CO 26646 [1,0,0,0,0,0|1,1,1]=4 20 B5R0.3 CO[C@H](C)CN 17734 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CO[C@H](C)CN 17748 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.2 CCC(C)CC(=O)O 11272 [0,1,0,0,0,0|1,1,1]=4 23 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [0,1,0,0,0,0|1,1,1]=4 24 B7R0.2 CC[C@H](C)CC(=O)O 11273 [0,1,0,0,0,0|1,1,1]=4 25 B7R0.7 CCOC(=O)N=C=O 35995 [0,1,0,0,0,0|1,1,1]=4 26 B7R0.7 CCOC(=O)N=C=S 11182 [0,1,0,0,0,0|1,0,1]=3 27 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [0,0,0,1,0,0|1,1,1]=4 28 B7R1.3 CC1CCCCN1 7704 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.3 CC1CCCNC1 7705 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 CC1CCNCC1 7707 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 C[C@@H]1CCCCN1 14248 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.3 C[C@H]1CCCCN1 15597 [0,0,0,1,0,0|1,0,2]=4 33 B4R0.1 CC(C)CI 3951 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.1 CC(C)NN 26972 [2,0,0,0,0,0|1,0,1]=4 35 B4R0.1 CC(O)CBr 12555 [2,0,0,0,0,0|1,1,0]=4 36 B4R0.1 CCC(C)Br 3753 [2,0,0,0,0,0|1,0,0]=3 37 B4R0.1 CCC(C)I 3940 [2,0,0,0,0,0|1,0,0]=3 38 B4R0.1 CCC(C)O 6718 [2,0,0,0,0,0|0,1,0]=3 39 B4R0.1 CCN(C)C 10322 [2,0,0,0,0,0|1,0,1]=4 40 B4R0.1 CC[C@@H](C)N 6741 [2,0,0,0,0,0|0,0,1]=3 41 B4R0.1 CC[C@@H](C)O 6717 [2,0,0,0,0,0|0,1,0]=3 42 B4R0.1 CC[C@H](C)N 6743 [2,0,0,0,0,0|0,0,1]=3 43 B4R0.1 CNC(C)C 10279 [2,0,0,0,0,0|0,0,2]=4 44 B4R0.1 COC(C)=N 2122 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.1 C[C@@H](Cl)CO 8287 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 C[C@@H](N)CN 29215 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 C[C@@H](N)CO 9884 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 C[C@@H](O)CBr 23955 [2,0,0,0,0,0|1,1,0]=4 49 B4R0.1 C[C@@H](O)CCl 14071 [2,0,0,0,0,0|1,1,0]=4 50 B4R0.1 C[C@@H](O)CI 23956 [2,0,0,0,0,0|1,1,0]=4 51 B4R0.1 C[C@@H](O)CN 5721 [2,0,0,0,0,0|1,1,0]=4 52 B4R0.1 C[C@@H](O)CO 5857 [2,0,0,0,0,0|1,1,0]=4 53 B4R0.1 C[C@H](Cl)CO 8285 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 C[C@H](N)CN 15232 [2,0,0,0,0,0|1,0,1]=4 55 B4R0.1 C[C@H](N)CO 5710 [2,0,0,0,0,0|1,0,1]=4 56 B4R0.1 C[C@H](O)CBr 20478 [2,0,0,0,0,0|1,1,0]=4 57 B4R0.1 C[C@H](O)CCl 14072 [2,0,0,0,0,0|1,1,0]=4 58 B4R0.1 C[C@H](O)CN 5720 [2,0,0,0,0,0|1,1,0]=4 59 B4R0.1 C[C@H](O)CO 5853 [2,0,0,0,0,0|1,1,0]=4 60 B4R0.1 [C-]#[N+]C(C)C 29396 [2,0,0,0,0,0|0,0,2]=4 61 B4R0.2 CCCCBr 3752 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 CCCCI 3939 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 CCN=C=O 18636 [2,0,0,0,0,0|0,1,0]=3 64 B6R0.5 C[Si](C)(C)N=C=O 35917 [1,1,0,0,0,0|0,2,0]=4 65 B6R1.3 S=C=NC1CC1 22785 [1,0,0,1,0,0|0,0,0]=2 66 B8R1.18 CC1=NC(C)OC1C 8654 [0,1,0,1,0,0|1,0,1]=4