0 B9R0.37 CCOC(=O)C(C=O)C=O PI-39019 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.37 CCOC(=O)C(CBr)CBr PI-34801 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.3 CC(C(=O)OCC)C#N PI-38920 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.3 CCOC(=O)C(C=O)Cl PI-40054 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.3 CCOC(=O)C(CO)N PI-30400 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.3 CCOC(=O)C(CS)N PI-15749 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.3 CCOC(=O)C(N)CO PI-42130 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.20 CCC(=O)N(CC)CC PI-47055 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.20 CCC(CC)C(CC)O PI-29298 [1,0,0,0,0,0|0,0,2]=3 11 B8R0.20 CCN(CC)C(=O)CCl PI-49043 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.20 COC(=O)C(CBr)CBr PI-10945 [1,0,0,0,0,0|2,0,0]=3 13 B10R0.101 CCC(C(=O)C)C(=O)OCC PI-11567 [0,1,0,0,0,0|0,0,1]=2 14 B10R0.101 CCOC(=O)C(C#N)C(=O)C PI-19795 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.11 CCOC(=O)C1CC=CC1 PI-33720 [0,0,0,1,0,0|0,0,2]=3 16 B10R1.11 CCOC(=O)C1CCCO1 PI-13056 [0,0,0,1,0,0|1,0,0]=2 17 B10R1.11 CCOC(=O)[C@@H]1CCCN1 PI-33223 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.405 CCOC(=O)C1(CC1)C#N PI-17864 [0,0,0,1,0,0|1,0,1]=3 19 B10R1.405 CCOC(=O)C1(CC1)CN PI-45593 [0,0,0,1,0,0|1,0,0]=2 20 B7R0.5 CCOC(=O)C(Br)F PI-13394 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.5 CCOC(=O)C(C)Br PI-44612 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.5 CCOC(=O)C(C)F PI-12305 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.5 CCOC(=O)C(F)F PI-24421 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.5 CCOC(=O)C(F)I PI-49445 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.5 CCOC(=O)C(N)C PI-10064 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.7 CCCC(=O)OCCl PI-36667 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.7 CCOC(=O)C#CC PI-22064 [2,0,0,0,0,0|0,0,2]=4 31 B7R0.7 CCOC(=O)COC PI-50353 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.7 CCOC(=O)CSC PI-39857 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.7 CNCC(=O)OCC PI-30682 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.7 NCCC(=O)OCC PI-33213 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.7 OCCC(=O)OCC PI-39562 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.10 CC(CBr)C(=O)OC PI-44215 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.10 CC(CO)C(=O)OC PI-44130 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.10 CCC(C(=O)CC)O PI-47068 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.10 CCC(N)C(OC)=O PI-42163 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.10 COC(=O)C(CCl)N PI-28403 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.10 COC(=O)C(CCl)N PI-39772 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.10 COC(=O)C(CCl)N PI-41755 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.10 COC(=O)C(CO)N PI-11634 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.10 COC(=O)C(CO)O PI-42716 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.10 COC(=O)C(CS)N PI-15751 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.15 BrCC(CBr)C(=O)O PI-10928 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [2,0,0,0,0,0|0,0,1]=3 54 B7R0.15 CNC(CO)C(=O)O PI-43688 [2,0,0,0,0,0|2,0,0]=4 55 B9R0.6 CCOC(=O)C(C(C)C)Br PI-11269 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.6 CCOC(=O)C(C(C)C)N PI-31091 [1,1,0,0,0,0|1,0,0]=3 57 B9R0.6 CCOC(=O)C(C(C)O)N PI-33222 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.6 CCOC(=O)C(C)C(=O)C PI-33892 [1,1,0,0,0,0|0,0,1]=3 59 B9R0.19 CCC(C)(C(=O)OCC)Br PI-44081 [1,1,0,0,0,0|0,0,0]=2 60 B9R0.19 CCOC(=O)C(C)(C)CO PI-43282 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.23 CC(C)OC(=O)C(CS)N PI-33219 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [1,1,0,0,0,0|1,0,0]=3 64 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.29 CC(C)C(C(=O)OC)NC PI-43750 [1,1,0,0,0,0|1,0,0]=3 66 B9R0.29 CCC(C(=O)C)C(=O)OC PI-50376 [1,1,0,0,0,0|0,0,1]=3 67 B9R0.69 CC(C(=O)OC)(OC)OC PI-50373 [1,1,0,0,0,0|2,0,0]=4 68 B11R0.61 CCOC(=O)C(SCC)SCC PI-19292 [0,2,0,0,0,0|0,0,0]=2 69 B11R0.61 CCOC(OCC)C(=O)OCC PI-11268 [0,2,0,0,0,0|0,0,0]=2 70 B11R0.175 CCOC(=O)C(C(=O)C)C(=O)C PI-11584 [0,2,0,0,0,0|0,0,2]=4 71 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.5 CN1CCCCCC1=O PI-15330 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.15 COC1CCCCC1=O PI-28180 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [1,0,0,1,0,0|0,0,0]=2 76 B9R1.74 CCOC(=O)C1(CC1)N PI-43116 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.74 CCOC(=O)C1(CC1)N PI-45006 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.74 O=C(C1(C)CC1)OCC PI-17865 [1,0,0,1,0,0|0,0,0]=2 79 B9R1.27 CCC1C(=O)CCC1=O PI-16420 [1,0,0,1,0,0|1,0,1]=4 80 B11R1.15 CCOC(=O)C1CCC(=O)C1 PI-42490 [0,1,0,1,0,0|0,0,1]=3 81 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 PI-34624 [0,1,0,1,0,0|1,0,1]=4 82 B11R1.16 CCOC(=O)C1CCCCC1 PI-30479 [0,1,0,1,0,0|0,0,0]=2 83 B11R1.16 CCOC(=O)C1CCCCN1 PI-25203 [0,1,0,1,0,0|0,0,0]=2 84 B11R1.16 CCOC(=O)C1CCCCN1 PI-27902 [0,1,0,1,0,0|0,0,0]=2 85 B11R1.16 CCOC(=O)C1CCCNC1 PI-16598 [0,1,0,1,0,0|0,0,0]=2 86 B11R1.16 CCOC(=O)C1CCCNC1 PI-25608 [0,1,0,1,0,0|0,0,0]=2 87 B11R1.16 CCOC(=O)C1CCCNC1 PI-31082 [0,1,0,1,0,0|0,0,0]=2 88 B11R1.16 CCOC(=O)C1CCCNC1 PI-33283 [0,1,0,1,0,0|0,0,0]=2 89 B11R1.16 CCOC(=O)C1CCCNC1 PI-33284 [0,1,0,1,0,0|0,0,0]=2 90 B11R1.16 CCOC(=O)C1CCNCC1 PI-27083 [0,1,0,1,0,0|0,0,0]=2 91 B11R1.16 CCOC(=O)C1CSCCN1 PI-17983 [0,1,0,1,0,0|1,0,0]=3 92 B11R1.16 CCOC(=O)C1SCCCS1 PI-11231 [0,1,0,1,0,0|1,0,0]=3 93 B11R1.16 CCOC(=O)N1CCNCC1 PI-16482 [0,1,0,1,0,0|1,0,0]=3 94 B11R1.199 CCOC(=O)C1CCCC1=O PI-16795 [0,1,0,1,0,0|0,0,1]=3 95 B11R1.199 CCOC(=O)C1CCNC1=O PI-36173 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N PI-49241 [0,1,0,1,0,0|0,0,0]=2 97 B11R1.381 CCN1CCCC[C@H](N)C1=O PI-15891 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.166 CC1CCC(C(=O)C1)C(C)C PI-41659 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.835 CCOC(=O)C1(CC1)C(=O)C PI-48267 [0,1,0,1,0,0|0,0,1]=3 100 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [1,0,0,0,0,1|2,0,0]=4 101 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [1,0,0,0,0,1|2,0,0]=4 102 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [1,0,0,0,0,1|2,0,0]=4 103 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [1,0,0,0,0,1|2,0,0]=4