0 B8R0.8 CN(C)C(=O)CCCN MC112306 [1,0,0,0,0,0|3,0,0]=4 1 B8R0.9 C=CC(=O)OCC(C)O CS21600 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.28 CC(C)CCCC(C)N MC446672 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.28 CC(C)N=C=NC(C)C MC439141 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.13 CC1CCC(C(C)C)CC1 MC428284 [0,0,0,1,0,0|2,0,1]=4 5 B10R1.81 CN(C)C(=O)C1CC(O)C1 MC112046 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.120 CC1(C)CC(O)CCC1=O MC110923 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.205 C=C(C)C(=O)OCC1CO1 MC440518 [0,0,0,1,0,0|1,0,2]=4 8 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,0,0,0,1,0|1,0,1]=3 9 B8R0.23 CC(C)OC(=O)C(C)N CS14281 [0,0,0,0,1,0|1,0,0]=2 10 B8R0.23 CC(C)OC(=O)C(C)N MC436161 [0,0,0,0,1,0|1,0,0]=2 11 B8R0.23 CC(C)OC(=O)C(C)N MC439194 [0,0,0,0,1,0|1,0,0]=2 12 B7R0.5 CC(C)C(=O)CC#N MC41933 [2,0,0,0,0,0|1,0,1]=4 13 B7R0.5 CCOC(=O)C(C)C CS11388 [2,0,0,0,0,0|0,0,0]=2 14 B7R0.5 CCOC(=O)C(C)F MC439605 [2,0,0,0,0,0|1,0,0]=3 15 B7R0.5 CCOC(=O)C(C)N CS15404 [2,0,0,0,0,0|1,0,0]=3 16 B7R0.5 CCOC(=O)C(C)N MC436160 [2,0,0,0,0,0|1,0,0]=3 17 B7R0.5 CCOC(=O)C(C)O CS20075 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.5 CCOC(=O)C(F)Br MC41908 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.5 CCOC(=O)C(F)Cl MC41909 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.5 CCOC(=O)C(F)F CS11385 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.5 CNCC(=O)N(C)C MC438152 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.6 CC(C)CCC(=O)Cl MC20895 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.6 CCOC(=O)C(=O)C(C)C MC41914 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.47 CCCCOC(=O)C(C)N CS15628 [1,1,0,0,0,0|1,0,0]=3 26 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.23 CC(C)CC(N)C(=O)CCl MC437823 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [1,1,0,0,0,0|2,0,0]=4 29 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [1,1,0,0,0,0|2,0,0]=4 31 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.57 CC(N)C(=O)OC(C)(C)C CS19633 [0,1,0,0,1,0|1,0,0]=3 33 B9R0.57 CC(N)C(=O)OC(C)(C)C CS22243 [0,1,0,0,1,0|1,0,0]=3 34 B9R0.57 CN(N)C(=O)OC(C)(C)C MC42037 [0,1,0,0,1,0|2,0,0]=4 35 B11R0.34 CC(C)NNC(=O)OC(C)(C)C CS16607 [0,1,0,0,0,1|2,0,0]=4 36 B11R0.34 CC(N)CNC(=O)OC(C)(C)C MC31032 [0,1,0,0,0,1|2,0,0]=4 37 B11R0.34 CC(N)CNC(=O)OC(C)(C)C MC444047 [0,1,0,0,0,1|2,0,0]=4 38 B11R0.109 CCC(C)CCOC(=O)C(C)C MC114736 [0,1,0,0,0,1|0,0,0]=2 39 B9R1.5 NC1CCCCNC1=O CS15569 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.5 NC1CCCCNC1=O CS15816 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.5 NC1CCCCNC1=O MC425745 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.40 CC1(C)CCCOC1=O MC112082 [1,0,0,1,0,0|0,0,0]=2 43 B9R1.40 CC1(C)COCCC1=O CS16380 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.49 CN1CCCC(=O)CC1 CS13899 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.38 CC1(C)CC(=O)OC1=O CS19863 [0,0,0,1,1,0|1,0,1]=4 49 B11R2.68 O=C1OC2CC1CCC2I MC418473 [0,0,0,2,0,0|1,0,0]=3 50 B7R0.2 CC(C)OC(=O)CO CS11522 [1,0,0,0,1,0|1,0,0]=3 51 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,0,0,0,1,0|1,0,1]=4 52 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,0,0,0,1,0|1,0,1]=4 53 B7R0.2 COC(=O)CC(C)O CS11584 [1,0,0,0,1,0|2,0,0]=4 54 B7R0.16 CC(C)C(=O)N(C)C MC41952 [0,0,0,0,2,0|1,0,0]=3 55 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,0,0,0,2,0|1,0,1]=4 56 B9R0.4 CC(C)NC(=O)NCCN MC112535 [1,0,0,0,0,1|2,0,0]=4