0 B7R0.11 COCC(C)(C)CN MC418388 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.11 COCC(C)(C)CN MC431431 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCC(C)CCBr MC112369 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.5 CC(C)(C)CC=O MC20142 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.5 CC(C)(C)CCO CS21905 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.5 CC(C)(F)CCN MC116087 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.5 CC(C)(O)CCBr CS15788 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.5 CC(C)(O)CON MC427561 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.8 CC(C)(C#N)CO CS13572 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.8 CC(C)(C=O)CO MC21089 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.8 CC(C)(CBr)CBr CS20516 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.8 CC(C)(CN)CO CS22037 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.72 CC1(C)CCNCC1 CS13819 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.72 CC1(C)CNCCN1 CS18507 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.72 CC1(C)CNCCO1 MC100077 [0,0,0,1,0,0|0,0,2]=3 15 B8R1.72 CC1(C)COCCN1 CS21909 [0,0,0,1,0,0|2,0,1]=4 16 B5R0.1 CC(C)CC=O CS11530 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.1 CC(O)CON CS17735 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.1 COCC(C)O CS20249 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.1 COCC(C)O CS20309 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.1 COCC(C)O CS20741 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|0,0,2]=4 22 B5R0.2 COCCC#N CS22345 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.2 COCCNN MC103229 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.2 COCCNN MC107041 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.3 COC(C)CN CS17733 [2,0,0,0,0,0|0,0,1]=3 30 B5R0.3 COC(C)CO CS12306 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.4 CC(C)(C)C#N MC10368 [2,0,0,0,0,0|0,0,2]=4 32 B5R0.4 CC(C)(C)C=O MC20070 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.4 CC(C)(C)CN CS11775 [2,0,0,0,0,0|0,0,1]=3 34 B5R0.4 CC(C)(C)ON CS11824 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.4 CC(C)(C)[Zn]Br MC121336 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.4 CC(C)(F)CO MC429446 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.4 CC(C)(N)CN MC443126 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.4 CC(C)(O)CN CS20593 [2,0,0,0,0,0|0,0,1]=3 39 B5R0.4 CC(C)(S)CN MC434042 [2,0,0,0,0,0|0,1,1]=4 40 B7R0.12 COC(CSC)OC MC10796 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.9 CC(C)(C)CC(=O)O CS22814 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.9 CC(O)CC(C)(C)O MC428277 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.9 CN(C)CC(C)(C)O MC41894 [1,1,0,0,0,0|0,0,2]=4 44 B7R0.14 CC(C)(C)C(N)CO MC439423 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.14 CC(C)(C)C(N)CO MC439424 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.18 COC(C)(CBr)OC MC41860 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.18 COC(C)(OC)OC CS12051 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.62 COC(CC#N)(OC)OC MC42023 [0,2,0,0,0,0|2,0,0]=4 49 B7R1.1 COC1CCNC1 CS12136 [1,0,0,1,0,0|0,0,2]=4 50 B7R1.1 COC1CCNC1 CS12137 [1,0,0,1,0,0|0,0,2]=4 51 B7R1.1 COC1CCNC1 CS22350 [1,0,0,1,0,0|0,0,2]=4 52 B7R1.3 CC1CNCCO1 CS14515 [1,0,0,1,0,0|0,0,2]=4 53 B7R1.3 CC1CNCCO1 CS14521 [1,0,0,1,0,0|0,0,2]=4 54 B7R1.3 CC1CNCCO1 CS19299 [1,0,0,1,0,0|0,0,2]=4 55 B7R1.3 CC1CNCCO1 CS21692 [1,0,0,1,0,0|0,0,2]=4 56 B7R1.3 CC1CNCCO1 MC444038 [1,0,0,1,0,0|0,0,2]=4 57 B7R1.3 CC1CNCCO1 MC444192 [1,0,0,1,0,0|0,0,2]=4 58 B7R1.10 COC1CC(N)C1 MC102191 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.10 COC1CC(N)C1 MC102192 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.10 COC1CC(N)C1 MC105249 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.10 COC1CC(N)C1 MC105250 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.10 COC1CC(N)C1 MC112995 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.10 COC1CC(N)C1 MC444289 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.25 COC1(C)CNC1 MC112993 [1,0,0,1,0,0|0,0,2]=4 65 B7R1.14 CC1(O)CCCC1 CS20768 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.14 CC1(O)CCNC1 MC107172 [1,0,0,1,0,0|0,0,2]=4 67 B7R1.16 CC1(C)CC(Br)C1 MC115986 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.16 CC1(O)CC(N)C1 MC103384 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.10 CC1(C)OCC(=O)CO1 MC425473 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.133 CC1(C)OCC(CCl)O1 MC20698 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.133 CC1(C)OCC(CI)O1 CS20979 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.148 CC1(C)OCC=CCO1 MC425125 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,1,0,1,0,0|1,0,1]=4 74 B9R1.66 CC1(C)CC(N)CCO1 MC115908 [0,1,0,1,0,0|1,0,1]=4 75 B9R2.173 C1CC2(CCO2)CN1 MC102909 [0,0,0,2,0,0|0,0,2]=4 76 B9R2.173 C1CC2(CCO2)CN1 MC103911 [0,0,0,2,0,0|0,0,2]=4 77 B9R2.173 C1CC2(CCO2)CN1 MC444133 [0,0,0,2,0,0|0,0,2]=4