0 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,0,0,0,0,0|2,1,0]=3 5 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,0,0,0,0,0|0,0,0]=0 8 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.7 CC(C)(O)C(F)F Z1413814779 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.7 CC(C)C(C)(C)N Z1270446314 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.7 CC(N)C(C)(C)F Z3487099771 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.7 O=C([O-])C(F)(Cl)Cl Z56772166 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.4 C#CC(C)(C)O Z1245735173 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.4 C=CC(C)(C)N Z2940715337 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.4 CC(C)(C)C#N Z278179882 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.4 CC(C)(C)CN Z291234094 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.4 CC(C)(C)CO Z397587176 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.4 CC(C)(F)C#N Z1198369138 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.4 CC(C)(N)C#N Z57176535 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.4 CC(C)(N)CN Z1266854946 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.4 CC(C)(O)C#N Z104473082 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.4 CC(C)(O)CO Z600454414 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.4 CCC(C)(C)N Z104480062 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.4 CCC(C)(C)O Z104473496 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.5 CC(=N)N(C)C Z1428159819 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|0,0,0]=1 40 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|0,0,0]=1 45 B5R0.5 CC(N)C(C)N Z2335631664 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.5 CC(O)C(C)O Z104473532 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.5 CN(C)C(=N)N Z1839480548 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.5 CN(C)C(=S)N Z56347524 [1,0,0,0,0,0|2,1,0]=4 52 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|0,0,0]=1 53 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|0,0,0]=1 55 B5R0.5 NC(=O)C(F)F Z33546481 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,1,0,0,0,0|1,0,1]=3 60 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,1,0,0,0,0|0,0,1]=2 63 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|0,0,0]=1 66 B7R0.13 CC(C)(CN)C(F)F Z2681252558 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.13 CC(C)C(C)(C)CN Z1770193479 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|0,0,0]=1 71 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|0,0,0]=1 72 B7R0.13 CC(N)(CO)C(F)F Z3487421443 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|0,0,0]=1 83 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.14 C=CC(=O)C(C)(C)C Z940201244 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.14 CC(C)(C)/C(=N/O)/N Z278180212 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.14 CC(C)(C)C(N)CO Z2004547930 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.14 CC(C)(C)C(O)CN Z803056426 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.14 CN(N=O)C(C)(C)C Z1725963468 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.14 CNC(=O)C(C)(C)N Z1449756243 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.14 COC(=O)C(C)(C)Cl Z1551954570 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.14 COC(=O)C(C)(C)N Z339270984 [0,1,0,0,0,0|0,0,0]=1 98 B7R0.17 CC(C)(C)C(C)(C)O Z56762576 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.17 CC(C)(C)S(=O)(=O)C Z1726051877 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.17 CC(C)(C)S(=O)(=O)N Z991943148 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.17 CC(C)(N)C(C)(C)N Z3013932182 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.17 CC(C)(N)C(C)(C)O Z2738358101 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.17 CC(C)(N)C(C)(F)F Z2469998596 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.17 CC(C)(N)C(F)(F)F Z1741966858 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.17 CC(C)(N)P(=O)(O)O Z57033887 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.17 CC(C)(O)C(C)(C)O Z382716052 [0,1,0,0,0,0|2,0,1]=4 107 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.17 CC1(CNC1=O)C Z425427928 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.19 CC(C)C1(CC1)N Z2216303073 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|0,0,0]=1 118 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.26 CC(C)(C)C1CO1 Z278165182 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.26 CC(C)(C)[C@@H]1CO1 Z1575341657 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.32 CC1(CC1(C)N)C Z2528325599 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.32 CC1(CC1(F)F)N Z1201624184 [0,0,0,1,0,0|2,0,1]=4 124 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,0,0,0,0,1|2,0,0]=3 125 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,0,0,0,0,1|1,0,0]=2 126 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,0,0,0,0,1|2,0,0]=3 127 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,0,0,0,0,1|1,0,0]=2 128 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,0,0,0,0,1|2,1,0]=4 129 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,0,0,0,0,1|3,0,0]=4 130 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,0,0,0,0,1|1,0,0]=2 131 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,0,0,0,0,1|0,0,0]=1 132 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,0,0,0,0,1|3,0,0]=4 133 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,0,0,0,0,1|1,0,0]=2 134 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,0,0,0,0,1|2,0,0]=3 135 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,0,0,0,0,1|2,0,1]=4 136 B7R0.9 CN(C)CC(C)(C)N Z2284400097 [0,0,0,0,0,1|3,0,0]=4 137 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,0,0,0,0,1|3,0,0]=4 138 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,0,0,0,0,1|2,0,1]=4 139 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,0,0,0,0,1|1,0,1]=3 140 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,0,0,0,0,1|3,0,0]=4 141 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 142 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 144 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|1,0,0]=3 149 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,1]=4 153 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 156 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 157 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 158 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.1 CN(C)N=O Z1255485177 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|0,0,1]=3 165 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|2,0,0]=4 170 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|0,0,0]=2 175 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 177 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.3 CC(C)(C)Cl Z281778956 [2,0,0,0,0,0|1,0,1]=4 179 B4R0.3 CS(=O)(=O)C Z417007936 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.3 CS(=O)(=O)N Z54080282 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.5 C#CCC(C)(C)N Z3210767531 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.5 CC#CC(C)(C)N Z1203578926 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.5 CC(C)(N)CCF Z4297373689 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.5 CC(C)(N)CCN Z2218555716 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.5 CC(C)(N)CCO Z1198183553 [1,1,0,0,0,0|0,0,1]=3 187 B6R0.5 CCCC(C)(C)N Z1262250787 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.5 COCC(C)(C)N Z1258578421 [1,1,0,0,0,0|0,0,1]=3 189 B6R0.8 C#CC(C)(C)NC Z5942912613 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.8 CC(C)(CN)CO Z3247605488 [1,1,0,0,0,0|0,0,1]=3 192 B6R0.8 CC(N)(C#N)CO Z2082998957 [1,1,0,0,0,0|0,0,2]=4 193 B6R0.8 CCC(C)(C)CO Z995039230 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.8 CCC(C)(C)NC Z335250498 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.8 CCC(C)(N)CC Z1267881628 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.8 CCC(C)(N)CN Z425861002 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.8 CCC(C)(N)CO Z734150850 [1,1,0,0,0,0|0,0,1]=3 198 B6R0.8 CNC(C)(C)C#N Z56347264 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.8 CNC(C)(C)CN Z1511495256 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.8 CNC(C)(C)CO Z425727892 [1,1,0,0,0,0|0,0,1]=3 201 B6R0.8 COC(C)(C)CN Z1266933932 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.8 COC(C)(C)CO Z1255430497 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.8 CSC(C)(C)CN Z1203639115 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.3 C#CC(=O)N(C)C Z1509741471 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|0,0,1]=3 206 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|0,0,1]=3 207 B6R0.3 CC(C)C(=O)NN Z56926537 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.3 CC(C)C(O)C#N Z802900598 [1,1,0,0,0,0|1,0,1]=4 209 B6R0.3 CC(C)C(O)CN Z1255523288 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.3 CC(C)N(C)C=O Z1258520821 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|0,0,0]=2 213 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|0,0,0]=2 214 B6R0.3 CC(N)C(C)CO Z1203581847 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.3 CC(O)C(N)CN Z1250080890 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,0]=3 218 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|0,0,0]=2 219 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|0,0,0]=2 220 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.3 CCC(O)C(C)C Z445987082 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|0,0,0]=2 224 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|0,0,0]=2 225 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|0,0,0]=2 226 B6R0.3 CN(C)C(=O)CN Z54751082 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.3 CN(C)C(=O)CO Z431952018 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.3 CNC(=O)C(C)Cl Z104346638 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.3 CNC(=O)C(C)N Z105197440 [1,1,0,0,0,0|1,0,0]=3 230 B6R0.3 CNC(=O)C(C)O Z431951884 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|0,0,0]=2 234 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.3 COC(=N)C(C)C Z2944341356 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.3 COC(=O)C(=N)N Z1198220825 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.3 COC(=O)C(C)N Z56968898 [1,1,0,0,0,0|0,0,0]=2 238 B6R0.3 COC(C)C(=N)N Z1365534351 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|0,0,0]=2 242 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.3 COC(C)[C@H](C)N Z1795817829 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.3 CSC(C)C(=N)N Z5622504221 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|0,0,0]=2 246 B6R0.3 CSC(C)C(C)O Z1273036711 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|0,0,0]=2 248 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|0,0,0]=2 249 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|0,0,0]=2 250 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.3 NNC(=O)C(=O)O Z3068042919 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|0,0,0]=2 254 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|0,0,0]=2 255 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|0,0,0]=2 256 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.24 C=CC(=O)NC(C)(C)C Z440633548 [0,1,0,0,0,1|2,0,0]=4 258 B8R0.24 CC(C)(C)NC(=O)CCl Z56853749 [0,1,0,0,0,1|2,0,0]=4 259 B8R0.24 CC(C)(C)NC(=O)CN Z94601176 [0,1,0,0,0,1|2,0,0]=4 260 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [0,1,0,0,0,1|1,0,0]=3 261 B8R0.24 CC(C)(C)OC(=O)CCl Z56915921 [0,1,0,0,0,1|2,0,0]=4 262 B8R0.24 CC(C)(C)OC(=O)CN Z1268152400 [0,1,0,0,0,1|2,0,0]=4 263 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,1,0,0,0,1|1,0,0]=3 264 B8R0.24 CC(CO)CC(C)(C)N Z1270446291 [0,1,0,0,0,1|1,0,1]=4 265 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [0,1,0,0,0,1|1,0,0]=3 266 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [0,1,0,0,0,1|2,0,0]=4 267 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,1,0,0,0,1|0,0,0]=2 268 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,1,0,0,0,1|1,0,0]=3 269 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,1,0,0,0,1|1,0,0]=3 270 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,1,0,0,0,1|2,0,0]=4 271 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,1,0,0,0,1|1,0,0]=3 272 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,1,0,0,0,1|1,0,0]=3 273 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,1,0,0,0,1|1,0,0]=3 274 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,1,0,0,0,1|2,0,0]=4 275 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,1,0,0,0,1|1,0,0]=3 276 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,1,0,0,0,1|1,0,0]=3 277 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,1,0,0,0,1|1,0,0]=3 278 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,1,0,0,0,1|1,0,0]=3 279 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,1,0,0,0,1|1,0,0]=3 280 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,1,0,0,0,1|1,0,0]=3 281 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,1,0,0,0,1|2,0,0]=4 282 B8R0.33 CC(C)(N)CS(=O)(=O)C Z1262643909 [0,1,0,0,0,1|1,0,1]=4 283 B8R0.34 C#CC(C)(C)NC(=O)C Z1187696572 [0,1,0,0,0,1|2,0,0]=4 284 B8R0.34 C#CC(C)(C)OC(=O)N Z57157184 [0,1,0,0,0,1|2,0,0]=4 285 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,1,0,0,0,1|1,0,0]=3 286 B8R0.34 CC(=O)NC(C)(C)C#N Z212046252 [0,1,0,0,0,1|1,0,1]=4 287 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,1,0,0,0,1|2,0,0]=4 288 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,1,0,0,0,1|0,0,1]=3 289 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,1,0,0,0,1|0,0,0]=2 290 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,1,0,0,0,1|1,0,0]=3 291 B8R0.34 CC(O)CC(C)(C)CN Z1259162049 [0,1,0,0,0,1|1,0,1]=4 292 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,1|1,0,0]=3 293 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,1,0,0,0,1|2,0,0]=4 294 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,1,0,0,0,1|1,0,0]=3 295 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|0,0,0]=2 296 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,2,0,0,0,0|1,0,1]=4 297 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|0,0,0]=2 298 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|0,0,0]=2 300 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|0,0,0]=2 302 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|0,0,0]=2 305 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|1,0,0]=3 306 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|1,0,0]=3 307 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,2,0,0,0,0|2,0,0]=4 308 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|0,0,0]=2 309 B8R0.13 CNC(=O)C(C)(C)CN Z878097856 [0,2,0,0,0,0|1,0,0]=3 310 B8R0.13 COC(=O)C(C)(C)C#N Z426040992 [0,2,0,0,0,0|0,0,1]=3 311 B8R0.13 COC(=O)C(C)(C)CN Z1415893842 [0,2,0,0,0,0|0,0,0]=2 312 B8R0.17 CC(C)(CN)S(=O)(=O)C Z991513576 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.17 CC(C)(N)C(C)(C)CO Z1342879033 [0,2,0,0,0,0|1,0,1]=4 314 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|0,0,1]=3 316 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,2,0,0,0,0|1,0,0]=3 317 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|0,0,0]=2 318 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|0,0,0]=2 320 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.36 COC(C)(OC)C(=O)C Z240126824 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,2,0,0,0,0|0,0,0]=2 323 B8R0.37 CC(C)(C(=O)O)C(F)F Z1205656337 [0,2,0,0,0,0|1,0,0]=3 324 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|1,0,0]=3 326 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|0,0,1]=3 327 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,2,0,0,0,0|0,0,0]=2 328 B8R0.37 CC(O)(C(=O)[O-])C(F)F Z4510561429 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|0,0,0]=2 332 B8R0.14 CC(C)(C)C(=O)CC#N Z56989608 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.14 CC(C)(C)C(=O)N=C=O Z228583196 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.14 CCCC(=O)C(C)(C)C Z406377804 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.14 CCNC(=O)C(C)(C)C Z54718267 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.14 CCNC(=O)C(C)(C)N Z1449756823 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.14 CCOC(=O)C(C)(C)N Z1263529587 [0,2,0,0,0,0|0,0,0]=2 338 B8R0.14 CCOC(=O)C(C)(F)F Z1201623583 [0,2,0,0,0,0|2,0,0]=4 339 B8R0.14 CNCC(=O)C(C)(C)C Z2106607890 [0,2,0,0,0,0|2,0,0]=4 340 B6R1.7 C#CC1(CC1)N Z1203653659 [1,0,0,1,0,0|1,0,1]=4 341 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|1,0,0]=3 342 B6R1.7 CCC1(CC1)N Z2234631229 [1,0,0,1,0,0|1,0,1]=4 343 B6R1.7 N#CC1(CC1)N Z1741972043 [1,0,0,1,0,0|1,0,1]=4 344 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,1,0,0|0,0,1]=3 345 B6R1.10 CC1(CCC1)N Z1741969618 [1,0,0,1,0,0|1,0,1]=4 346 B6R1.10 CC1(CCN1)C Z1198749898 [1,0,0,1,0,0|1,0,1]=4 347 B6R1.11 CC(C)C1CO1 Z1020679856 [1,0,0,1,0,0|1,0,1]=4 348 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,1,0,0|1,0,1]=4 350 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,0,0,1,0,1|2,0,0]=4 351 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,0,0,1,0,1|2,0,0]=4 352 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,0,0,1,0,1|2,0,0]=4 353 B8R1.51 CC1(COC(=N1)N)C Z1198155525 [0,0,0,1,0,1|2,0,0]=4 354 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,1|1,0,0]=3 355 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,0,0,1,0,1|2,0,0]=4 356 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,0,0,1,0,1|2,0,0]=4 357 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|0,0,0]=2 362 B8R1.19 CC1(CNCC1O)C Z1925930473 [0,1,0,1,0,0|1,0,1]=4 363 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|0,0,0]=2 366 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|0,0,0]=2 368 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,1,0,1,0,0|0,0,1]=3 370 B8R1.63 NC(=O)C1(CC1)CO Z1201626390 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|0,0,0]=2 372 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|0,0,0]=2 377 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|0,0,0]=2 382 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|0,0,0]=2 383 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.29 CC1(CN(C1=O)O)C Z4512942627 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.39 CC1(CC1)C(=O)CCl Z1395264728 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|0,0,0]=2 390 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.39 COC(C)C1(CC1)N Z5185499673 [0,1,0,1,0,0|1,0,1]=4 392 B8R1.39 NC1(CC1)C(O)CO Z4280384138 [0,1,0,1,0,0|0,0,2]=4 393 B8R1.39 O=C(CCl)C1(CC1)Cl Z1198174332 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.39 O=C(CCl)C1(CC1)F Z1649763687 [0,1,0,1,0,0|2,0,0]=4 395 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,0,0,0,0,1|1,0,1]=4 396 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,0,0,0,0,1|0,0,2]=4 397 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,0,0,0,0,1|1,0,1]=4 398 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,0,0,0,0,1|0,0,1]=3 399 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,0,0,0,0,1|1,0,1]=4 400 B6R0.2 CC(=O)CC(C)N Z57329385 [1,0,0,0,0,1|1,0,0]=3 401 B6R0.2 CC(C)CB(O)O Z1098324138 [1,0,0,0,0,1|1,0,1]=4 402 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,0,0,0,0,1|2,0,0]=4 403 B6R0.2 CC(C)CC(=O)N Z33546511 [1,0,0,0,0,1|1,0,0]=3 404 B6R0.2 CC(C)CC(=O)O Z104474910 [1,0,0,0,0,1|0,0,0]=2 405 B6R0.2 CC(C)NC(=N)N Z1650168329 [1,0,0,0,0,1|2,0,0]=4 406 B6R0.2 CC(C)NC(=O)N Z56887677 [1,0,0,0,0,1|1,0,0]=3 407 B6R0.2 CC(C)NC(=S)N Z56979374 [1,0,0,0,0,1|1,1,0]=4 408 B6R0.2 CC(N)CC(=O)N Z594220690 [1,0,0,0,0,1|1,0,0]=3 409 B6R0.2 CC(N)CC(=O)O Z147647144 [1,0,0,0,0,1|0,0,0]=2 410 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,0,0,0,0,1|2,0,0]=4 411 B6R0.2 CN(C)CC(=O)N Z54750057 [1,0,0,0,0,1|2,0,0]=4 412 B6R0.2 CN(C)CC(=O)O Z235580496 [1,0,0,0,0,1|1,0,0]=3 413 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,0,0,0,0,1|0,0,0]=2 414 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,0,0,0,0,1|1,0,1]=4 415 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,0,0,0,0,2|2,0,0]=4 416 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [0,0,0,0,0,2|1,0,0]=3 417 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,0,0,0,0,2|1,0,0]=3 418 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,0,0,0,0,2|2,0,0]=4 419 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,0,0,0,0,2|2,0,0]=4 420 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,0,0,0,0,2|1,0,0]=3 421 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,0,0,0,0,2|1,0,0]=3 422 B8R0.29 CC(C)(N)C#CC(=O)O Z4371204029 [0,0,0,0,0,2|0,0,0]=2 423 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,0,0,0,0,2|0,0,0]=2 424 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [0,0,0,0,0,2|1,0,0]=3 425 B8R0.29 CC(C)(O)C#CC(=O)O Z1198166162 [0,0,0,0,0,2|1,0,0]=3 426 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,0,0,0,0,2|1,0,1]=4 427 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,0,0,0,0,2|2,0,0]=4