0 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.6 CCCCCC(=O)NN PI-50287 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.6 CCCCCC(CC)O PI-42991 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.6 O=C(OC)CCCCBr PI-40014 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.7 CCCCCCC(C)O PI-10350 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.28 CC(C)CCCC(=O)C PI-47229 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.28 CN(C)CCCC(=O)O PI-29854 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.60 C[N+](C)(C)CCCC(=O)OC PI-33874 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.13 CC(C)N1CCC(=O)CC1 PI-43300 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.54 CC(C)CC1COC(=O)N1 PI-35871 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.54 CC(C)CC1COC(=O)N1 PI-35872 [0,0,0,1,0,0|2,0,0]=3 12 B10R0.55 CCC(C)NCCNC(C)C PI-22954 [0,0,0,0,0,1|2,0,1]=4 13 B7R0.3 CCCCC(=O)NN PI-50263 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.3 COC(=O)CCCBr PI-44980 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.3 COC(=O)CCCN PI-42165 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.3 COC(=O)CCSC PI-45979 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.3 O=C(OC)CCNC PI-40057 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.4 CC(=O)CCCCCl PI-28023 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.4 CCCCC[C@@H](C)O PI-49829 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.4 CCCCOC(=S)[S-] PI-47064 [2,0,0,0,0,0|1,1,0]=4 21 B7R0.4 COCCOC(=O)C PI-12910 [2,0,0,0,0,0|1,0,0]=3 22 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [1,1,0,0,0,0|2,0,0]=4 23 B9R0.5 CCCCOC(=O)CC#N PI-32785 [1,1,0,0,0,0|0,0,1]=3 24 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.34 CCCC(CC(=O)OC)O PI-45929 [1,1,0,0,0,0|2,0,0]=4 26 B9R0.46 C=CC(=O)OCCCCO PI-50413 [1,1,0,0,0,0|0,0,2]=4 27 B9R0.46 CCOCCOC(=O)CCl PI-22753 [1,1,0,0,0,0|1,0,0]=3 28 B9R0.46 COC(=O)CCCCCO PI-45931 [1,1,0,0,0,0|2,0,0]=4 29 B9R0.46 O=C(OC)CCCCCBr PI-40016 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [1,1,0,0,0,0|2,0,0]=4 31 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,1,0,0,1,0|1,0,0]=3 34 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [0,1,0,0,1,0|1,0,0]=3 35 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,1,0,0,1,0|1,0,0]=3 36 B9R0.42 COC(=O)CC(=O)C(C)C PI-37701 [0,1,0,0,1,0|1,0,1]=4 37 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [1,0,0,1,0,0|1,0,0]=3 38 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.1 COC1CCC(CC1)=O PI-40302 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.5 CN1CCCCCC1=O PI-15330 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.11 C1CCN(C1)C(=O)CCl PI-50573 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.35 CC(=O)N1CC[C@@H](C1)N PI-40973 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.35 CC(=O)N1CC[C@H](C1)N PI-40974 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.35 CC(C)C1COC(=S)N1 PI-16643 [1,0,0,1,0,0|1,1,0]=4 54 B9R1.35 CC(C)C1COC(=S)N1 PI-42032 [1,0,0,1,0,0|1,1,0]=4 55 B9R1.66 O=C1CC(C)(C)CCC1 PI-42382 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.10 O=C1CCC(F)(F)CC1 PI-37161 [0,0,0,1,1,0|2,0,0]=4 57 B9R1.10 O=C1COC(OC1)(C)C PI-35873 [0,0,0,1,1,0|2,0,0]=4 58 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [0,0,0,1,1,0|1,0,0]=3 59 B9R1.82 COC(=O)C1CC(C1)O PI-45752 [0,0,0,1,1,0|2,0,0]=4 60 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC PI-41849 [0,0,0,1,1,0|2,0,0]=4 61 B9R1.138 CC1(C)COC(=O)C1O PI-27920 [0,0,0,1,1,0|1,0,0]=3 62 B9R1.138 CC1(COC(=O)C1O)C PI-18732 [0,0,0,1,1,0|1,0,0]=3 63 B9R1.138 O=C1OCC(C)(C)[C@@H]1O PI-27686 [0,0,0,1,1,0|1,0,0]=3 64 B11R1.20 CC(C)CN1CCC(=O)CC1 PI-32066 [0,0,0,1,0,1|1,0,0]=3 65 B11R1.80 CC1C(=NC(S1)CC(C)C)C PI-11139 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.19 CC(C)(C)C1CCC(=O)CC1 PI-49429 [0,1,0,1,0,0|1,0,0]=3 67 B11R2.34 C1(CC1)N2CCC(CC2)=O PI-34078 [0,0,0,2,0,0|2,0,0]=4 68 B11R2.533 CC1(C2CCC(=C)C1C2)C PI-41709 [0,0,0,2,0,0|2,0,0]=4 69 B7R0.6 CC(=C)COC(=O)C PI-47091 [1,0,0,0,1,0|0,0,2]=4 70 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,0,0,0,1,0|1,0,1]=4 71 B7R0.6 CC(=O)OCC(F)F PI-21167 [1,0,0,0,1,0|2,0,0]=4 72 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,0,0,0,1,0|1,0,0]=3 73 B7R0.6 CC(C)CCC(C)N PI-49380 [1,0,0,0,1,0|1,0,1]=4 74 B7R0.6 CC(C)CCC(C)O PI-30803 [1,0,0,0,1,0|0,0,2]=4 75 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,0,0,0,1,0|2,0,0]=4 76 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,0,0,0,2,0|1,0,0]=3 77 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,0,0,0,2,0|2,0,0]=4 78 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,0,0,0,2,0|2,0,0]=4 79 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,0,0,0,2,0|2,0,0]=4 80 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,0,0,0,2,0|2,0,0]=4 81 B7R0.2 COC(=O)CC(C)N PI-42155 [0,0,0,0,2,0|2,0,0]=4 82 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,0,0,0,2,0|2,0,0]=4 83 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,0,0,0,2,0|2,0,0]=4 84 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,0,0,0,2,0|1,0,0]=3