0 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.1 CCCCC(CCC)O PI-46865 [1,0,0,0,0,0|0,0,1]=2 4 B8R0.1 CCCOC(=O)CC#N PI-32784 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.1 CCOC(=O)CCC#C PI-40902 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.1 CCOC(=O)CCCBr PI-45007 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.1 CCOC(=O)CCCN PI-42166 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.1 CCOC(=O)CCSC PI-48514 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 O=C(OCC)CCNC PI-40053 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.3 CCOC(=O)C(CO)N PI-30400 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.3 CCOC(=O)C(CS)N PI-15749 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.3 CCOC(=O)C(N)CO PI-42130 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.19 CCCCC(=O)C(=O)OCC PI-33911 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.19 CCCCC(=O)C(C)CCC PI-30525 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.19 CCCCC(C(=O)OCC)Br PI-19765 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.19 CCCCC(C(C)CCC)O PI-30171 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.19 CCOC(=O)C(CCCN)N PI-45795 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.19 CCOC(=O)C(CCSC)N PI-31138 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.32 CCOC(=O)C(CC(C)C)N PI-33215 [0,1,0,0,0,0|2,0,0]=3 26 B10R0.35 CCC(=O)C(C(=O)OCC)F PI-33674 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.35 CCC(C)C(C(=O)OCC)N PI-45797 [0,1,0,0,0,0|2,0,0]=3 28 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC PI-33217 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.4 C=CCC1CCCCC1=O PI-29985 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.4 CCCC1CCCCC1O PI-19976 [0,0,0,1,0,0|1,0,1]=3 31 B10R1.11 CCOC(=O)C1CCCO1 PI-13056 [0,0,0,1,0,0|1,0,0]=2 32 B10R1.11 CCOC(=O)[C@@H]1CCCN1 PI-33223 [0,0,0,1,0,0|2,0,0]=3 33 B10R0.2 CCCC(=O)CC(=O)OCC PI-45789 [0,0,0,0,0,1|1,0,2]=4 34 B10R0.2 CCCC(CC(=O)OCC)O PI-45930 [0,0,0,0,0,1|1,0,0]=2 35 B10R0.2 CCOC(=O)C[C@H](CC#N)O PI-13566 [0,0,0,0,0,1|2,0,1]=4 36 B10R0.2 CCOC(=O)C[C@H](O)CC#N PI-16779 [0,0,0,0,0,1|2,0,1]=4 37 B7R0.1 CCCCCCCBr PI-44628 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.1 CCCCNCCN PI-15624 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.1 CCCSSCCC PI-48483 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.3 CCCCC(=O)NN PI-50263 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.3 COC(=O)CCCBr PI-44980 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.3 COC(=O)CCCN PI-42165 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.3 COC(=O)CCSC PI-45979 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.3 O=C(OC)CCNC PI-40057 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.7 CCCC(=O)OCCl PI-36667 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.7 CCCC(CCC)N PI-15988 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 CCCC(S)CCO PI-37281 [2,0,0,0,0,0|1,1,0]=4 49 B7R0.7 CCOC(=O)COC PI-50353 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.7 CCOC(=O)CSC PI-39857 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.7 CNCC(=O)OCC PI-30682 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.7 NCCC(=O)OCC PI-33213 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.7 OCCC(=O)OCC PI-39562 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.5 CCCC(C(=O)O)Br PI-44608 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.5 CCCC(C(=O)O)N PI-13494 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.5 CCOC(=O)C(C)Br PI-44612 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.5 CCOC(=O)C(C)F PI-12305 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.5 CCOC(=O)C(N)C PI-10064 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.10 CCC(C(=O)CC)O PI-47068 [2,0,0,0,0,0|0,0,0]=2 64 B7R0.10 CCC(N)C(OC)=O PI-42163 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.10 COC(=O)C(CO)O PI-42716 [2,0,0,0,0,0|2,0,0]=4 68 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [1,1,0,0,0,0|0,0,1]=3 69 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.5 CCCCOC(=O)CC#N PI-32785 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.5 O=C(OCC)COCCCl PI-41952 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.18 CCCNC(=S)NCCC PI-19378 [1,1,0,0,0,0|1,1,0]=4 73 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.6 CCOC(=O)C(C(C)C)Br PI-11269 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.6 CCOC(=O)C(C(C)C)N PI-31091 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.6 CCOC(=O)C(C(C)O)N PI-33222 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.19 CCC(C)(C(=O)OCC)Br PI-44081 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.27 CCC(C)C(C(=O)OC)N PI-33216 [1,1,0,0,0,0|2,0,0]=4 86 B9R0.27 OC[C@@H]([C@H](C(=O)CO)O)O PI-39160 [1,1,0,0,0,0|2,0,0]=4 87 B11R0.11 CCCOC(=O)C(=O)OCCC PI-19767 [0,2,0,0,0,0|0,0,2]=4 88 B11R0.68 CC(C)OC(=O)C(CCSC)N PI-33218 [0,2,0,0,0,0|2,0,0]=4 89 B11R0.155 CCCCCC(C(=O)OCC)Br PI-44611 [0,2,0,0,0,0|2,0,0]=4 90 B11R0.155 CCOC(=O)C(CCCCN)N PI-33227 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.155 CC\C=C(C)\C(O)CCCCC PI-40152 [0,2,0,0,0,0|1,0,1]=4 92 B11R0.247 CCCCC(F)(F)C(OCC)=O PI-42711 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.186 CCOC(=O)C(CC(C)(C)F)N PI-42889 [0,2,0,0,0,0|2,0,0]=4 94 B11R0.61 CCOC(OCC)C(=O)OCC PI-11268 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.2 CCN1CCCC(C1)O PI-43238 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.8 C1CCC(=CC1)CCN PI-40143 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.8 C1COC(OC1)CCBr PI-48812 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.8 CCCC1CCCCN1 PI-18460 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.15 C1CCC(=O)C(C1)C#N PI-14655 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.15 COC1CCCCC1=O PI-28180 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.27 CCC1C(=O)CCC1=O PI-16420 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [1,0,0,1,0,0|1,0,0]=3 105 B9R1.49 CN1CCCC(CC1)O PI-48280 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [1,0,0,1,0,0|1,0,0]=3 107 B9R1.69 CC1CCC(CC1C)O PI-47226 [1,0,0,1,0,0|0,0,1]=3 108 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [1,0,0,1,0,0|1,0,0]=3 109 B9R1.134 CCC[N+]1(CCCC1)C PI-45709 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.134 CCC[N+]1(CCCC1)C PI-45710 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.134 CCC[N+]1(CCCC1)C PI-45711 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.5 CN1CCCCCC1=O PI-15330 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.11 COC(=O)C1CCCN1 PI-14284 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.11 COC(=O)C1CCCO1 PI-13051 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [1,0,0,1,0,0|0,0,2]=4 119 B9R1.74 CCOC(=O)C1(CC1)N PI-43116 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.74 CCOC(=O)C1(CC1)N PI-45006 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.74 O=C(C1(C)CC1)OCC PI-17865 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.132 CCC1=C(C(=O)CC1)O PI-47191 [1,0,0,1,0,0|0,0,2]=4 123 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N PI-49241 [0,0,0,1,0,1|2,0,0]=4 124 B11R1.16 CCOC(=O)C1CCCCC1 PI-30479 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.16 CCOC(=O)C1CCCCN1 PI-25203 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.16 CCOC(=O)C1CCCCN1 PI-27902 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.16 CCOC(=O)C1CCCNC1 PI-16598 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.16 CCOC(=O)C1CCCNC1 PI-25608 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.16 CCOC(=O)C1CCCNC1 PI-31082 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.16 CCOC(=O)C1CCCNC1 PI-33283 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.16 CCOC(=O)C1CCCNC1 PI-33284 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.16 CCOC(=O)C1CCNCC1 PI-27083 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.16 CCOC(=O)C1CSCCN1 PI-17983 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.16 CCOC(=O)C1SCCCS1 PI-11231 [0,1,0,1,0,0|1,1,0]=4 135 B11R1.17 O=C1C(CCC#N)CCCC1 PI-37255 [0,1,0,1,0,0|1,0,1]=4 136 B11R1.381 CCN1CCCC[C@H](N)C1=O PI-15891 [0,1,0,1,0,0|2,0,0]=4