0 B7R0.15 C=C(C)C(CC)CC R289272 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.15 CCC(CC)C(=O)C PH016168 [0,0,0,0,0,0|2,1,0]=3 2 B7R0.15 CCC(CC)C(=O)N S378488 [0,0,0,0,0,0|2,1,0]=3 3 B7R0.15 CCC(CC)C(C)O S361860 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.15 CCN(CC)C(=N)N S385425 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.15 CCN(CC)C(=O)[NH-] S586188 [0,0,0,0,0,0|1,1,0]=2 6 B6R0.3 CCC(C)C(=O)N S799637 [1,0,0,0,0,0|2,1,0]=4 7 B6R0.9 CCC(CC)CN CDS014133 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.9 CCC(CC)NC CBR01265 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.9 CCN(CC)CC R156221 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.15 CCN(CCO)C(=O)C PH010390 [0,1,0,0,0,0|1,1,0]=3 11 B8R0.18 CCC(C(=O)C)C(C)C S373559 [0,1,0,0,0,0|2,1,0]=4 12 B8R0.18 CCN(C(C)C)C(C)C R178942 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.18 CCN(C(C)C)C(C)C S100293 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.20 CCC(CC)C(=O)OC S240257 [0,1,0,0,0,0|1,2,0]=4 15 B8R0.20 CCN(CC)C(=O)CBr CBR01980 [0,1,0,0,0,0|1,1,0]=3 16 B8R0.26 CCN(CC)P(=S)(Cl)Cl S501581 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.26 CCN(CC)S(=O)(=O)C S799491 [0,1,0,0,0,0|1,2,0]=4 18 B8R0.36 CCC(Cl)(CC)C(=O)N PH007093 [0,1,0,0,0,0|2,1,0]=4 19 B8R0.36 CCC(N)(CC)C(=O)N PH012935 [0,1,0,0,0,0|2,1,0]=4 20 B8R0.36 CCC(O)(CC)C(=O)C PH007069 [0,1,0,0,0,0|2,1,0]=4 21 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,0,0,1,0,0|2,1,0]=4 22 B8R1.7 S=C([S-])C1CCCN1 R128589 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.11 CCC1CCNC1=O CBR01663 [0,0,0,1,0,0|2,1,0]=4 24 B8R1.11 CCN1C=NN=C1S CDS013450 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.11 O=C1CCCN1CO S362557 [0,0,0,1,0,0|2,1,0]=4 26 B8R0.16 CCN(C=C(N)N)CC PH018705 [0,0,0,0,0,1|2,0,0]=3 27 B8R0.16 CCN(CC)CC(=O)O PH011958 [0,0,0,0,0,1|0,2,0]=3 28 B5R0.1 CCNC(=N)N PH018983 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 CCOC(=S)N PH003667 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CCOC(=S)[S-] R464988 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 CCOC(=S)[S-] R533475 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.3 CCC(N)CC TMT00064 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.3 CCN(O)CC S623067 [2,0,0,0,0,0|0,1,0]=3 34 B5R0.3 CC[Tl](Br)CC S837075 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CC[Tl](I)CC S837083 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.5 CC(=S)N(C)C S622877 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.5 CC(C)C(=S)N PH006913 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.5 CC(=O)N(C)CCN PH019599 [1,1,0,0,0,0|1,1,0]=4 39 B7R0.5 CC(=O)N(C)CCO CBR01454 [1,1,0,0,0,0|1,1,0]=4 40 B7R0.12 CCN(CC)COC S433551 [1,1,0,0,0,0|0,1,1]=4 41 B7R0.12 NCCN(CC)CC S727369 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.13 CCN(CCCN)C(=O)C PH010126 [0,2,0,0,0,0|1,1,0]=4 43 B9R0.37 CCN(CC)C(=O)CCN CDS005055 [0,2,0,0,0,0|1,1,0]=4 44 B9R0.37 CCNC(=S)N(CC)CC PH010045 [0,2,0,0,0,0|1,0,0]=3 45 B7R1.4 CN1CCN=C1N S897663 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.4 CN1CCNC1=O CDS006142 [1,0,0,1,0,0|1,1,0]=4 47 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.1 CCC1C=CCC1 S416223 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.13 C=C(Cl)CN1CCCC1 PH012633 [0,0,0,1,0,1|2,0,0]=4 50 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,1,0,1|0,2,0]=4 51 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,1,0,1|0,2,0]=4 52 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [0,1,0,1,0,0|1,1,0]=4 54 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.6 S=C([S-])N1CCOCC1 S353620 [0,1,0,1,0,0|0,0,1]=3 56 B9R1.33 C=CCN1CCSC1=N PH014012 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.33 CCCN1CCNC1=S S762059 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.33 NCCN1CCOC1=O CBR01024 [0,1,0,1,0,0|0,2,0]=4 59 B9R1.33 O=C1CCCN1CCBr CDS019689 [0,1,0,1,0,0|1,1,0]=4 60 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,1,0,0|0,2,0]=4 61 B9R1.33 OCCN1CCNC1=S S372102 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.35 CC(=O)N1CCC(C1)O CDS023189 [0,1,0,1,0,0|1,1,0]=4 63 B9R1.35 CC(=O)N1CC[C@@H](C1)O CDS023190 [0,1,0,1,0,0|1,1,0]=4 64 B9R1.41 CC(C)N1CCNC1=O CBR01602 [0,1,0,1,0,0|1,1,0]=4 65 B9R1.27 CCN1C(=O)CSC1=S PH009981 [0,1,0,1,0,0|0,0,1]=3 66 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [0,1,0,1,0,0|1,1,0]=4 67 B9R0.43 CCN(CC)C/C=C(/C)\Cl PH011893 [0,0,0,0,0,2|2,0,0]=4