0 B8R0.1 C=CCCC(=O)OCC 7864AL [0,0,0,0,0,0|1,0,3]=4 1 B8R0.1 C=CCOC(=O)OCC 7327AL [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 CCCOC(=O)CCC 9026AJ [0,0,0,0,0,0|3,0,1]=4 3 B8R0.1 CCOC(=O)CCC#N 7342AC [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 CCOC(=O)CCCI 1537AC [0,0,0,0,0,0|2,0,2]=4 5 B8R0.1 CCOC(=O)CCNC 7579AD [0,0,0,0,0,0|1,0,2]=3 6 B8R0.1 CCOC(=O)NCCCl S838 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.1 CCOC(=O)\C=C\C=O Z4570 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 CCC\C=C/CCC 7451AL [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CC\C=C\C=C\CO 3900AB [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 CCCCC(=O)CC 7786AF [1,0,0,0,0,0|1,0,2]=4 11 B7R0.3 CCCOC(=O)CC 7524AF [1,0,0,0,0,0|2,0,1]=4 12 B7R0.7 CCOC(=O)OCCl Z4637 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.7 CCOC(=O)\C=C\I V5131 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,0,0,0,0,0|0,1,0]=2 15 B9R0.5 CCOC(=O)COCCCl W3753 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.5 CCOC(=O)N\N=C\CCl 6833AE [0,1,0,0,0,0|3,0,0]=4 17 B9R0.34 CCOC(=O)CC(=O)NN 3274AB [0,1,0,0,0,0|2,0,1]=4 18 B9R0.34 CCOC(=O)CC(=O)NN 9988AL [0,1,0,0,0,0|2,0,1]=4 19 B9R0.34 CCOC(=O)CC(N)=NO 2279AF [0,1,0,0,0,0|2,0,1]=4 20 B9R0.34 CCOC(=O)\C=C(\C)NC X6618 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.35 CCOC(=N)C(=O)OCC Z5154 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.35 CCOC(=O)C(=O)CC#N Y1142 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.35 CCOC(=O)C(=O)[CH-]C#N 0090AP [0,1,0,0,0,0|2,0,1]=4 24 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,1,0,0,0,0|1,0,2]=4 25 B9R0.48 CCOC(=O)\C=C\C(C)=O 1161AL [0,1,0,0,0,0|1,0,0]=2 26 B9R1.8 CCOC1=NN=CC=C1 W7464 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.73 CCOC(=O)C1CCC1 V0726 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.73 CCOC(=O)C1CNC1 W6099 [0,0,0,1,0,0|1,0,2]=4 29 B6R0.6 C\C=C\C=C\CO X5865 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.1 C=COC(=O)CC 7389AF [2,0,0,0,0,0|1,0,1]=4 31 B6R0.1 CCNC(=O)CC 8553AL [2,0,0,0,0,0|1,0,1]=4 32 B6R0.1 CCOC(=O)CI 7240AF [2,0,0,0,0,0|1,0,1]=4 33 B6R0.1 CCOC(=O)NO 6247AE [2,0,0,0,0,0|1,1,0]=4 34 B6R0.1 CCOC(=O)OC 7884AL [2,0,0,0,0,0|0,1,0]=3 35 B6R0.1 COC(=O)OCCl 0229AP [2,0,0,0,0,0|1,1,0]=4 36 B6R0.1 COC(=O)\C=C\I 9331AB [2,0,0,0,0,0|1,0,0]=3 37 B6R0.1 C\C=C\C(=O)CC 2730AL [2,0,0,0,0,0|0,0,0]=2 38 B6R0.4 C=C\C=C\C(=O)O Z4964 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.4 CCC\C=C\C=C\CO Z4325 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [1,1,0,0,0,0|1,1,0]=4 42 B8R0.3 CCCC(=O)C(=O)OC 8222AL [1,1,0,0,0,0|1,0,1]=4 43 B8R0.3 CCOC(=O)C(=O)CC W3459 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.11 CCC\C=C(\C=O)CC 5610AL [1,1,0,0,0,0|1,0,1]=4 45 B8R0.5 CC(C)OC(=O)CCS 6074AL [1,1,0,0,0,0|0,0,2]=4 46 B8R0.5 CCOC(=O)CC(=N)N W7089 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.5 CCOC(=O)CC(C)N W6751 [1,1,0,0,0,0|0,0,2]=4 48 B8R0.5 CCOC(=O)CC(N)=S 6448AA [1,1,0,0,0,0|0,0,2]=4 49 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [0,2,0,0,0,0|1,0,1]=4 50 B10R0.19 CCOC(=O)C(N)CCSC 6640AH [0,2,0,0,0,0|0,0,2]=4 51 B10R0.19 CCOC(=O)[C@@H](N)CCSC E630 [0,2,0,0,0,0|0,0,2]=4 52 B10R0.19 CCOC(=O)[C@H](N)CCSC V7607 [0,2,0,0,0,0|0,0,2]=4 53 B10R0.35 CCOC(=O)C(=O)N(C)OC 6673AJ [0,2,0,0,0,0|1,1,0]=4 54 B10R0.26 CCOC(=O)CC(=O)C(C)Br 1634AE [0,2,0,0,0,0|1,0,1]=4 55 B8R1.1 COC1=CC(=O)CC1 6398AB [1,0,0,1,0,0|0,1,0]=3 56 B8R1.1 COC1=CC(=O)OC1 1405AQ [1,0,0,1,0,0|0,1,0]=3 57 B8R1.1 O=C1C=C(CBr)CO1 5995AJ [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 CN1CCOC(=O)C1 9637AA [1,0,0,1,0,0|1,0,1]=4 59 B10R1.8 COC1=CC(=O)OC(C)=C1 0354AC [0,1,0,1,0,0|0,1,1]=4 60 B10R1.11 CCOC(=O)C1=CC=NN1 0764AB [0,1,0,1,0,0|2,0,0]=4 61 B10R1.11 CCOC(=O)C1=CN=CS1 W5468 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.11 CCOC(=O)C1=CNN=N1 Z4712 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.11 CCOC(=O)C1=CSC=C1 Z3445 [0,1,0,1,0,0|0,0,1]=3 64 B10R1.11 CCOC(=O)C1=CSC=N1 Y5283 [0,1,0,1,0,0|0,0,1]=3 65 B10R1.11 CCOC(=O)C1=NC=CO1 W5476 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.11 CCOC(=O)C1=NC=CS1 Y7549 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.11 CCOC(=O)C1=NOC=C1 X5534 [0,1,0,1,0,0|1,1,0]=4 68 B10R1.11 CCOC(=O)C1=NOC=N1 6635AJ [0,1,0,1,0,0|1,1,0]=4 69 B10R1.11 CCOC(=O)N1C=CN=C1 7686AF [0,1,0,1,0,0|1,0,1]=4 70 B10R1.137 CCOC(=O)C=C1CCC1 2660AB [0,1,0,1,0,0|1,0,0]=3 71 B10R1.137 CCOC(=O)C=C1COC1 W9531 [0,1,0,1,0,0|0,1,0]=3 72 B10R1.257 CCN1C(C)=CC=C1C=O 4706AH [0,1,0,1,0,0|2,0,0]=4 73 B10R1.4 CCOC1=CCCCC1=O 3081AB [0,1,0,1,0,0|1,0,1]=4 74 B10R1.211 CN(C)\C=C\C(=O)C1CC1 7368AD [0,1,0,1,0,0|2,0,0]=4