0 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|1,0,1]=3 1 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|1,0,1]=3 2 B6R0.4 CN(C)\C=C\C=O D36904 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.21 CC(C)(S)CCOC=O M41553 [0,1,0,0,0,0|0,0,2]=3 6 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.28 CN(C)CCCC(=O)O D43497 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,1,0,0|1,0,1]=3 23 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.19 CC1(C)CCNC1=O D13691 [0,0,0,1,0,0|1,0,2]=4 35 B5R0.1 C=C(C)CON M40345 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CC(C)\C=N\O I2624 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.1 CN(C)NC=O D66358 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.2 NOCC=CCl C39871 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.2 CC(C=O)=CN(C)C D41498 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.2 COC(=O)C=C(C)C M41461 [1,1,0,0,0,0|0,0,2]=4 42 B7R0.3 COC(=O)CNC=O M40228 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.6 CC(=O)CCC(C)=O H64912 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.6 CC(=O)CNC(C)=O X41261 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.6 CC(=O)NN=C(C)C A66607 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.6 CC(=O)\C=C\N(C)C D68911 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.6 CC(C)=NNC(N)=O P39156 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.6 CN(C)CCC(=O)O D41335 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,2,0,0,0,0|1,0,1]=4 50 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,2]=4 51 B7R1.2 CC1=CC(=O)CO1 M41117 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.2 CC1=COC(N)=N1 A2053 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.2 CC1=NNC(=O)C1 M68628 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.2 O=C1C=C(Br)CO1 B3416 [1,0,0,1,0,0|1,0,1]=4 61 B7R1.2 O=C1CC(O)=CO1 H1405 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.17 CC1(C)CCC1=O D60316 [1,0,0,1,0,0|0,0,2]=4 66 B7R1.4 CC1=C(N)ON=C1 M40180 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|0,0,2]=4 68 B7R1.4 O=C1CCC=C1Br B3409 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.4 O=C1CCC=C1O H41119 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,1,0,1,0,0|1,0,1]=4 71 B9R1.53 CC(=O)OC1CC(=O)C1 X11663 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 A15221 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.132 CC1=CNC(C=O)=C1C D12049 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.40 CC1(C)CCCOC1=O D63281 [0,1,0,1,0,0|0,0,2]=4 75 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,1,0,1,0,0|0,0,2]=4 76 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,1,0,1,0,0|0,0,2]=4 77 B9R1.69 CN1CC(=O)NCC1=O M15489 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.106 CC1(C)C(=O)CCC1=O D43718 [0,1,0,1,0,0|1,0,1]=4