0 B7R0.4 C=C(C)CC\C=C\C T72820 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 COCOC(C)=O D72003 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.6 C\C=C/CCCCl T71143 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.6 O=C\C=C\C=C\[O-] 98104 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.21 CC(C)(C)OCCC=O AT13970 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.28 CC(C)=CCNC(=N)N 42806 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,1,0,0,0,0|0,0,2]=3 9 B8R0.28 CN(C)CCCC(=O)O A11102 [0,1,0,0,0,0|2,0,1]=4 10 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 CN1CCCC(=O)C1 C14007 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,0,0,1,0,0|2,0,1]=4 15 B5R0.1 C=CCC(=C)C T72918 [2,0,0,0,0,0|1,0,1]=4 16 B5R0.1 CC(C)\C=N\O D77551 [2,0,0,0,0,0|1,0,1]=4 17 B5R0.1 C\C(I)=C/CI AC6903 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.1 C\C=C/C(C)C T72834 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.2 C\C=C\CCN AT22492 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.2 C=CC(=O)C=C(C)C F12626 [1,1,0,0,0,0|1,0,1]=4 21 B7R0.2 CN(C)\C=C(/Br)C=O AT21684 [1,1,0,0,0,0|1,0,1]=4 22 B7R0.2 C\C(C=O)=C\N(C)C F13117 [1,1,0,0,0,0|1,0,1]=4 23 B7R0.3 COC(=O)\C=C\C=O D90666 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.6 CC(=O)NN=C(C)C C12737 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.6 CC(=S)NCC(=O)O D92690 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [0,2,0,0,0,0|1,0,0]=3 29 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [0,2,0,0,0,0|1,0,0]=3 30 B9R0.56 C[Si](C)(C)CCOC(=O)Cl S11034 [0,2,0,0,0,0|0,1,1]=4 31 B7R1.2 CC1=COC(Br)=N1 AT18461 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.2 CC1=COC(Cl)=N1 A51023 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|0,0,1]=3 36 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.3 CC1=CCOCC1 F17726 [1,0,0,1,0,0|0,0,1]=3 38 B7R1.10 C=C1CC(C=O)C1 55091 [1,0,0,1,0,0|0,0,2]=4 39 B7R1.4 CC1=C(Br)OC=C1 F53471 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.41 CC(=O)N1C=COC1=O C16070 [0,1,0,1,0,0|1,0,1]=4 41 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,1,0,0|1,0,1]=4 42 B9R1.132 CC1=CN=C(C=O)N1C AT15705 [0,1,0,1,0,0|2,0,0]=4 43 B9R2.5 O=C1OCCC12CC2 33775 [0,0,0,2,0,0|0,0,2]=4