0 B9R0.63 CC(CN)(CO)CC(=O)O Z1753012993 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.63 CCC(C)(CC)OC(=O)N Z1198155508 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.16 CCC(CC)CC(=O)O Z352782266 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.31 CCC(N)(CC)CCN Z5076669839 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.34 C#CC(C)(C)OC(=O)N Z57157184 [1,0,0,0,0,0|0,0,2]=3 8 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.34 CC(C)(CO)CC(=N)N Z4074619777 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [1,0,0,0,0,0|3,0,0]=4 14 B10R0.134 CCC(N)(CC)CC(=O)OC Z1337422352 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.227 COC1(CCC1)CC(=O)O Z1726128749 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.227 NCC1(CCC1)CC(=O)O Z1262528478 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.227 O=C([O-])CC1(CCC1)CO Z3069147331 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.237 CCC1(CNC(=O)C1)CO Z2732454065 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.475 CCC1(CC(=O)NC1=O)C Z384975088 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.475 CCC1(NC(=O)NC1=O)C Z56862713 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.485 CC1(CCCC(=O)N1)CN Z3676380655 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.485 CC1(CCCC(=O)N1)CO Z1255400584 [0,0,0,1,0,0|3,0,0]=4 26 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,0,0,0,1,0|1,0,1]=3 27 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,0,0,0,1,0|2,0,1]=4 28 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,0,0,0,1,0|1,0,0]=2 29 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,0,0,0,1,0|2,0,0]=3 30 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,0,0,0,1,0|2,0,0]=3 31 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,0,0,0,1,0|1,0,0]=2 32 B8R0.36 COC(C)(OC)C(=O)C Z240126824 [0,0,0,0,1,0|3,0,0]=4 33 B10R0.121 CCC(N)(CC)CCC(=O)O Z5297198805 [0,0,0,0,0,1|3,0,0]=4 34 B7R0.2 CCC(C)CC(=O)O Z352782882 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.2 CCC(C)NC(=O)N Z56979270 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.2 CCC(C)NC(=S)N Z56907642 [2,0,0,0,0,0|1,1,0]=4 37 B7R0.2 CNC(C)CC(=O)N Z3070230004 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.11 CCC(C)(C)CCN Z2724442932 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.18 CCC(C)(C#N)CC Z1201618418 [2,0,0,0,0,0|0,0,2]=4 40 B7R0.18 CCC(C)(CC)CN Z2941505587 [2,0,0,0,0,0|0,0,1]=3 41 B7R0.18 CCC(C)(CN)CO Z1203583788 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.18 CCC(O)(CC)CN Z419084794 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [2,0,0,0,0,0|1,1,0]=4 47 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [2,0,0,0,0,0|1,1,0]=4 48 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.26 CCC(CC)NC(=O)CCl Z56886453 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.39 CCC(CC(=O)O)C(C)C Z608350044 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.41 CCC(CC)C(N)C(=O)O Z1269638502 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.52 CCC(CC)CS(=O)(=O)N Z954606450 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.11 CC(N)C(C)(C)CC(=O)O Z4138536717 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.22 CCC(C)(C)NC(=O)CCl Z147647972 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.30 CCC(C)(C)CS(=O)(=O)N Z1622956205 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.58 COCC(C)(C)CC(=O)O Z1434171899 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.76 CCC(C)(C(=O)N)C(=O)O Z1203588411 [0,1,0,0,1,0|1,0,1]=4 61 B9R0.76 CCC(C)(C(=O)O)C(F)F Z1322541672 [0,1,0,0,1,0|2,0,0]=4 62 B9R0.76 CCC(N)(C(=O)N)C(C)C Z727616020 [0,1,0,0,1,0|1,0,0]=3 63 B9R0.78 CCC(CC)(CC)C(=O)O Z995181774 [0,1,0,0,1,0|1,0,0]=3 64 B9R0.78 CCC(CC)(CN)C(=O)N Z878156256 [0,1,0,0,1,0|0,0,0]=2 65 B9R0.78 CCC(CC)(CO)C(=O)O Z1205493947 [0,1,0,0,1,0|1,0,0]=3 66 B9R0.78 CCC(CC)(NC)C(=O)O Z1642061042 [0,1,0,0,1,0|1,0,0]=3 67 B11R0.354 CCNC(=O)NC(C)(CC)CC Z1405053260 [0,2,0,0,0,0|1,0,0]=3 68 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.13 NC(=NC1CCCC1)N Z1269638443 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.128 NCC1(CC1)CC(=O)N Z2335647091 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.118 CCC1(CCNCC1)C Z979713968 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.125 CC1(CNC(=O)O1)CN Z5851683025 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.125 CCC1(CNC(=O)C1)C Z1203748294 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.204 CCC1(CCNC1)CC Z979421334 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.38 CC1(OC(=O)NC1=O)C Z1255378932 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.171 NC(=O)CC1(CCC1)N Z1415889529 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [0,0,0,1,1,0|1,0,0]=3 96 B9R1.119 CCC1(COC1)C(=O)O Z1205656653 [0,0,0,1,1,0|2,0,0]=4 97 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,0,0,1,1,0|2,0,0]=4 98 B9R1.119 COC1(CCC1)C(=N)N Z5616471449 [0,0,0,1,1,0|2,0,0]=4 99 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [0,0,0,1,1,0|2,0,0]=4 100 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,0,0,1,1,0|2,0,0]=4 101 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [0,0,0,1,1,0|2,0,0]=4 102 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,0,0,1,1,0|2,0,0]=4 103 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,0,0,1,1,0|2,0,0]=4 104 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,0,0,1,1,0|2,0,0]=4 105 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,0,0,1,1,0|1,0,0]=3 106 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,0,0,1,1,0|2,0,0]=4 107 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,0,0,1,1,0|2,0,0]=4 108 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,0,0,1,1,0|2,0,0]=4 109 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,0,0,1,1,0|1,0,0]=3 110 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,0,0,1,1,0|2,0,0]=4 111 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,0,0,1,1,0|2,0,0]=4 112 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,0,0,1,1,0|1,0,0]=3 113 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,0,0,1,1,0|1,0,0]=3 114 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,0,0,1,1,0|2,0,0]=4 115 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,0,0,1,1,0|2,0,0]=4 116 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,0,0,1,1,0|2,0,0]=4 117 B11R1.1217 CCC1(CCNC(=O)CC1)C Z1354444038 [0,0,0,1,0,1|1,0,0]=3 118 B11R1.1050 CCC1(CC(=O)NC1=O)CC Z223460084 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.1050 CCC1(NC(=O)NC1=O)CC Z56862714 [0,1,0,1,0,0|1,0,1]=4 120 B11R1.1071 CCC1(CCCC(=O)N1)CN Z5268525013 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.928 CC(=O)NC1(CCNCC1)C Z3689602976 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.928 NC(=O)CC1(CCOCC1)N Z1335657666 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.1180 CCC1(CC(=O)NC(=O)C1)C Z99599698 [0,1,0,1,0,0|1,0,1]=4 127 B11R1.1076 CCC1(CNC(=O)C1N)CC Z2683198038 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.419 CCC1(OC(=O)N(C1=O)C)C Z1198155421 [0,1,0,1,0,0|1,0,1]=4 129 B11R2.621 CC1NC(=O)OC12CNC2 Z3334318805 [0,0,0,2,0,0|1,0,0]=3 130 B11R2.1478 O=C1CC2(CCC2)CCN1 Z3465807730 [0,0,0,2,0,0|1,0,0]=3 131 B11R2.1478 O=C1NCCC2(O1)CNC2 Z2888819560 [0,0,0,2,0,0|1,0,0]=3 132 B11R2.748 O=C1CC2(CCCC2)CN1 Z1198235316 [0,0,0,2,0,0|1,0,0]=3 133 B11R2.748 O=C1CC2(CCNC2)CN1 Z2418413910 [0,0,0,2,0,0|2,0,0]=4 134 B11R2.748 O=C1CC2(CCOC2)CN1 Z1270255830 [0,0,0,2,0,0|2,0,0]=4 135 B11R2.748 O=C1CCC2(N1)CCCC2 Z1258978219 [0,0,0,2,0,0|2,0,0]=4 136 B11R2.748 O=C1NC2(CCCC2)CO1 Z1266873523 [0,0,0,2,0,0|2,0,0]=4 137 B11R2.748 O=C1NCC2(O1)CCNC2 Z3244909126 [0,0,0,2,0,0|1,0,0]=3 138 B11R2.141 O=C(O)C1CC12CCCC2 Z979743296 [0,0,0,2,0,0|2,0,0]=4 139 B11R2.696 CC12CCC(CC1)C(=O)O2 Z5185201929 [0,0,0,2,0,0|1,0,0]=3 140 B7R0.15 CCC(CC)C(=N)N Z3221365874 [1,0,0,0,1,0|1,0,0]=3 141 B7R0.15 CCC(CC)C(=O)N Z365255920 [1,0,0,0,1,0|0,0,0]=2 142 B7R0.15 CCC(CC)C(=S)N Z336081440 [1,0,0,0,1,0|0,1,0]=3 143 B7R0.15 CCC(CC)C(C)N Z728804288 [1,0,0,0,1,0|1,0,1]=4 144 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [1,0,0,0,1,0|2,0,0]=4 145 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,0,0,0,1,0|2,0,0]=4 146 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,0,0,0,1,0|2,0,0]=4 147 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,0,0,0,1,0|2,0,0]=4 148 B7R0.15 CCN(CC)C(=S)N Z55928942 [1,0,0,0,1,0|1,1,0]=4 149 B7R0.15 COC(OC)C(=O)N Z56754520 [1,0,0,0,1,0|2,0,0]=4 150 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [1,0,0,0,1,0|2,0,0]=4 151 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [1,0,0,0,1,0|2,0,0]=4 152 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [1,0,0,0,1,0|1,0,0]=3 153 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [1,0,0,0,1,0|2,0,0]=4 154 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [1,0,0,0,1,0|2,0,0]=4 155 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [1,0,0,0,1,0|2,0,0]=4 156 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [1,0,0,0,1,0|0,0,0]=2 157 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [1,0,0,0,1,0|1,0,0]=3 158 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [1,0,0,0,1,0|1,0,1]=4 159 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [1,0,0,0,1,0|1,0,0]=3 160 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [1,0,0,0,1,0|2,0,0]=4 161 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [1,0,0,0,1,0|2,0,0]=4 162 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [1,0,0,0,1,0|1,0,0]=3 163 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [1,0,0,0,1,0|2,0,0]=4 164 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [1,0,0,0,1,0|2,0,0]=4 165 B7R0.13 COC(C)(C)C(=O)O Z803492148 [1,0,0,0,1,0|2,0,0]=4 166 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [1,0,0,0,1,0|2,0,0]=4 167 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [1,0,0,0,0,1|2,0,0]=4 168 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [1,0,0,0,0,1|1,0,0]=3