0 B6R0.1 CCC(=O)N=C=S AT25941 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 CCC[C@H](C)CBr S11885 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CC[C@H](N)CCO AT22371 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.1 CC[C@H](N)COC D87652 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CC[C@H](N)COC D87653 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CC[C@H](O)CC#N A50899 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CNC[C@@H](C)CN T70175 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 COC[C@@H](C)CO O10176 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 C[C@H](CN)CCO AT20757 [0,0,0,0,0,0|2,1,1]=4 9 B6R0.1 C[C@H](CO)CCO 96740 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.1 CC(C)CNN AR2531 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CC(C)\C=N\O D77551 [1,0,0,0,0,0|2,1,0]=4 12 B5R0.1 CONC(C)C AT24926 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 CCCC#CI T71796 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CCCCNN AC6660 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.2 CCCCNO AT14838 [1,0,0,0,0,0|2,1,0]=4 17 B5R0.2 CCCNOC AT24927 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 [2H]OCCCC D98922 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.3 C#C[C@@H](C)CC W11641 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CC(CI)CI AC4732 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CC[C@H](C)CBr D86395 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.3 CC[C@H](C)CN 88661 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.3 CC[C@H](C)CO 88660 [1,0,0,0,0,0|0,1,1]=3 24 B5R0.3 CC[C@H](C)NN AB8698 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.3 CC[C@H](C)ON AT14504 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 CC[C@H](N)C#N AT12684 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 CC[C@H](N)C#N AT12685 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 CC[C@H](N)C#N N14345 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.3 CN[C@@H](C)C#N AT19980 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 CO[C@@H](C)CN 91000 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 C[C@@H](CO)CBr C16753 [1,0,0,0,0,0|1,1,1]=4 32 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,1,0,0,0,0|1,1,1]=4 35 B7R0.10 CCC(C)C(N)CO D75056 [0,1,0,0,0,0|1,1,1]=4 36 B7R0.11 CCCC(C)(C)CC T71064 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.11 CCOC(C)(C)CC D78478 [0,1,0,0,0,0|2,0,1]=4 38 B7R1.1 CCC1CCCC1 T71889 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.1 CC[C@H]1CCCN1 N12693 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.6 NNCC1CCC1 D87549 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.10 CCC1CC(=O)C1 P12513 [0,0,0,1,0,0|1,1,1]=4 46 B4R0.1 C=C=C(C)C T72680 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 CC(C)CN T72053 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|0,0,1]=3 49 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|0,0,1]=3 50 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|0,0,1]=3 51 B4R0.1 C[C@H](S)CO AC8877 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.1 C[C@H](S)CS T72965 [2,0,0,0,0,0|1,0,1]=4 53 B4R0.1 [2H]OC(C)C D98571 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 [2H][C@H](Br)CC D99041 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.2 C=C=CCC T72673 [2,0,0,0,0,0|1,0,1]=4 56 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.4 FC(F)CN=C=S AT25466 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.6 COCCN=C=O D87777 [1,1,0,0,0,0|0,1,0]=3 59 B6R0.6 CSCCN=C=S AT25553 [1,1,0,0,0,0|0,0,0]=2 60 B6R0.6 [N-]=[N+]=NCCCN F19638 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.8 CCC(C)(Br)CC F20158 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.8 CC[C@](C)(N)C#N 20939 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.8 CC[C@](C)(N)CO D75057 [1,1,0,0,0,0|0,1,1]=4 64 B6R0.8 CC[C@](C)(O)CO D78587 [1,1,0,0,0,0|0,1,1]=4 65 B6R0.9 CCC(OC)OC D87756 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.16 CCC(CC)NC(N)=S AT25001 [0,2,0,0,0,0|0,0,2]=4 67 B6R1.3 O=C=NC1CC1 AC8066 [1,0,0,1,0,0|0,1,0]=3 68 B6R1.7 CC1(C#N)CC1 94087 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.18 CC1=NC(C)C(C)S1 A10763 [0,1,0,1,0,0|0,0,2]=4