0 B6R0.2 BrC(=C)CC(=O)O 1P028J9X [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=C)CC(=O)C 1P00CLKE [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=C)OC(=O)C 1P0035IQ [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(=CC(=O)C)C 1P001G6Y [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(=CC(=O)C)O 1P001CNO [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(=CC(=O)Cl)C 1P003K7P [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(=CC(=O)N)C 1P01BER2 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.2 CC(=CC(=O)O)C 1P0033YA [0,0,0,0,0,0|2,0,1]=3 9 B6R0.2 CC(=CC(=O)O)Cl 1P00DGVA [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 CC(=CC(=O)O)I 1P01JX6Y [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 CC(=C[N+](=O)[O-])C 1P00HZ2E [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 CC(=O)CC(=O)C 1P000KDQ [0,0,0,0,0,0|3,0,0]=3 13 B6R0.2 CC(=O)CC(=O)C 1P003VUE [0,0,0,0,0,0|3,0,0]=3 14 B6R0.2 CC(=O)CC(=O)N 1P0034W3 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 CC(=O)NC(=O)C 1P00355U [0,0,0,0,0,0|4,0,0]=4 16 B6R0.2 CC(=O)NC(=O)N 1P003O4P [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 CC(=O)NC(=S)N 1P00E9ZO [0,0,0,0,0,0|3,1,0]=4 18 B6R0.2 CC(=O)SC(=O)C 1P003O4E [0,0,0,0,0,0|4,0,0]=4 19 B6R0.2 CC(=O)[C-]C(=O)C 1P00236S [0,0,0,0,0,0|3,0,1]=4 20 B6R0.2 CC(=O)[CH-]C(=O)C 1P0016VZ [0,0,0,0,0,0|3,0,1]=4 21 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OFD [0,0,0,0,0,0|3,0,1]=4 22 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OGH [0,0,0,0,0,0|3,0,1]=4 23 B6R0.2 CC(=O)[CH-]C(=O)C 1P003UNO [0,0,0,0,0,0|3,0,1]=4 24 B6R0.2 CC(=O)[CH-]C(=O)C 1P00AQOO [0,0,0,0,0,0|3,0,1]=4 25 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HU8W [0,0,0,0,0,0|3,0,1]=4 26 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HW92 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HYD8 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.2 CC(=O)[CH-]C(=O)C 1P00IKXP [0,0,0,0,0,0|3,0,1]=4 29 B6R0.2 CC(C=C(C)C)C 1P003GAP [0,0,0,0,0,0|3,0,1]=4 30 B6R0.2 CC(CC(=C)Br)C 1P0279S8 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.2 CC(CC(=C)C)C 1P003GAN [0,0,0,0,0,0|3,0,0]=3 32 B6R0.2 CC(CC(=N)N)C 1P00EK2S [0,0,0,0,0,0|2,0,0]=2 33 B6R0.2 CC(CC(=O)C)N 1P00J23J [0,0,0,0,0,0|3,0,0]=3 34 B6R0.2 CC(CC(=O)C)O 1P00723Y [0,0,0,0,0,0|3,0,0]=3 35 B6R0.2 CC(CC(=O)Cl)C 1P0035J3 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.2 CC(CC(=O)Cl)Cl 1P01BTXW [0,0,0,0,0,0|3,0,0]=3 37 B6R0.2 CC(CC(=O)F)C 1P01B7CV [0,0,0,0,0,0|2,0,0]=2 38 B6R0.2 CC(CC(=O)N)C 1P003RMF [0,0,0,0,0,0|1,0,0]=1 39 B6R0.2 CC(CC(=O)N)Cl 1P028G15 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.2 CC(CC(=O)N)N 1P01C1RK [0,0,0,0,0,0|2,0,0]=2 41 B6R0.2 CC(CC(=O)N)O 1P007O9T [0,0,0,0,0,0|2,0,0]=2 42 B6R0.2 CC(CC(=O)O)Br 1P002SV2 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.2 CC(CC(=O)O)C 1P003RMG [0,0,0,0,0,0|2,0,0]=2 44 B6R0.2 CC(CC(=O)O)Cl 1P003JRA [0,0,0,0,0,0|3,0,0]=3 45 B6R0.2 CC(CC(=O)O)F 1P028OF4 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.2 CC(CC(=O)O)N 1P003JE2 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.2 CC(CC(=O)O)O 1P003K12 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.2 CC(CC(=O)O)S 1P002TTH [0,0,0,0,0,0|3,0,0]=3 49 B6R0.2 CC(CC(=S)N)C 1P00AR7D [0,0,0,0,0,0|1,1,0]=2 50 B6R0.2 CC(CC(Br)C)C 1P003032 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.2 CC(CC(I)C)C 1P01ANJA [0,0,0,0,0,0|3,0,1]=4 52 B6R0.2 CC(CC(N)C)C 1P00FBMB [0,0,0,0,0,0|2,0,1]=3 53 B6R0.2 CC(CC(N)C)N 1P01INJP [0,0,0,0,0,0|3,0,1]=4 54 B6R0.2 CC(CC(N)C)N 1P0287MU [0,0,0,0,0,0|3,0,1]=4 55 B6R0.2 CC(CC(O)C)C 1P0038GQ [0,0,0,0,0,0|2,0,2]=4 56 B6R0.2 CC(CC(O)C)N 1P0014XP [0,0,0,0,0,0|3,0,1]=4 57 B6R0.2 CC(CS(=O)C)N 1P01A734 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.2 CC(CS(=O)C)O 1P02879G [0,0,0,0,0,0|4,0,0]=4 59 B6R0.2 CC(CS(=O)Cl)C 1P01C9KJ [0,0,0,0,0,0|3,0,0]=3 60 B6R0.2 CC(CS(=O)[O-])C 1P01BCHN [0,0,0,0,0,0|3,0,0]=3 61 B6R0.2 CC(C[C@@H](N)C)C 1P01EIIX [0,0,0,0,0,0|2,0,1]=3 62 B6R0.2 CC(C[C@@H](N)C)C 1P02898S [0,0,0,0,0,0|2,0,1]=3 63 B6R0.2 CC(C[C@@H](O)C)C 1P001LS9 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.2 CC(C[C@H](N)C)C 1P01EIHB [0,0,0,0,0,0|2,0,1]=3 65 B6R0.2 CC(C[C@H](O)C)C 1P001V2I [0,0,0,0,0,0|2,0,2]=4 66 B6R0.2 CC(C[N+](=O)[O-])C 1P00F3HC [0,0,0,0,0,0|3,0,0]=3 67 B6R0.2 CC(N=C(C)C)C 1P00CKF9 [0,0,0,0,0,0|4,0,0]=4 68 B6R0.2 CC(NC(=N)N)C 1P0055O6 [0,0,0,0,0,0|3,0,0]=3 69 B6R0.2 CC(NC(=O)C)C 1P0084JZ [0,0,0,0,0,0|3,0,0]=3 70 B6R0.2 CC(NC(=O)Cl)C 1P01B38E [0,0,0,0,0,0|3,0,0]=3 71 B6R0.2 CC(NC(=O)N)C 1P005LHL [0,0,0,0,0,0|2,0,0]=2 72 B6R0.2 CC(NC(=S)C)C 1P01A5JR [0,0,0,0,0,0|3,1,0]=4 73 B6R0.2 CC(NC(=S)N)C 1P00APGI [0,0,0,0,0,0|2,1,0]=3 74 B6R0.2 CC(OC(=O)C)Br 1P00336T [0,0,0,0,0,0|4,0,0]=4 75 B6R0.2 CC(OC(=O)C)C 1P0036E9 [0,0,0,0,0,0|3,0,0]=3 76 B6R0.2 CC(OC(=O)C)Cl 1P00EN9H [0,0,0,0,0,0|4,0,0]=4 77 B6R0.2 CC(OC(=O)Cl)Cl 1P003528 [0,0,0,0,0,0|4,0,0]=4 78 B6R0.2 CC(OC(=O)N)C 1P00209N [0,0,0,0,0,0|2,0,0]=2 79 B6R0.2 CC(OC(=S)[S-])C 1P001CEW [0,0,0,0,0,0|3,1,0]=4 80 B6R0.2 CC(OC(=S)[S-])C 1P001CEX [0,0,0,0,0,0|3,1,0]=4 81 B6R0.2 CC(O[N+](=O)[O-])C 1P0039DL [0,0,0,0,0,0|4,0,0]=4 82 B6R0.2 CC(SC(=N)N)C 1P00BYWC [0,0,0,0,0,0|3,0,0]=3 83 B6R0.2 CC(SC(=O)Cl)C 1P001A85 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.2 CN(CC(=N)N)C 1P019YB1 [0,0,0,0,0,0|1,0,0]=1 85 B6R0.2 CN(CC(=N)N)C 1P0281FI [0,0,0,0,0,0|1,0,0]=1 86 B6R0.2 CN(CC(=O)C)C 1P003DJS [0,0,0,0,0,0|1,0,0]=1 87 B6R0.2 CN(CC(=O)Cl)C 1P003Q3N [0,0,0,0,0,0|1,0,0]=1 88 B6R0.2 CN(CC(=O)N)C 1P01BFB9 [0,0,0,0,0,0|0,0,0]=0 89 B6R0.2 CN(CC(=O)O)C 1P002QBC [0,0,0,0,0,0|1,0,0]=1 90 B6R0.2 CN(CC(=O)O)C 1P003T1T [0,0,0,0,0,0|1,0,0]=1 91 B6R0.2 CN(CC(=S)N)C 1P00I5NF [0,0,0,0,0,0|0,1,0]=1 92 B6R0.2 CN(CC(=S)N)C 1P01AANC [0,0,0,0,0,0|0,1,0]=1 93 B6R0.2 CN(CC(Cl)C)C 1P0033R0 [0,0,0,0,0,0|2,0,1]=3 94 B6R0.2 CN(CC(N)C)C 1P00G836 [0,0,0,0,0,0|1,0,1]=2 95 B6R0.2 CN(CC(O)C)C 1P0037R9 [0,0,0,0,0,0|1,0,2]=3 96 B6R0.2 CN(CC(O)C)C 1P003BI9 [0,0,0,0,0,0|1,0,2]=3 97 B6R0.2 CN(C[C@@H](N)C)C 1P01AL6X [0,0,0,0,0,0|1,0,1]=2 98 B6R0.2 CN(C[C@@H](N)C)C 1P01BBNK [0,0,0,0,0,0|1,0,1]=2 99 B6R0.2 CN(C[C@@H](O)C)C 1P0036OS [0,0,0,0,0,0|1,0,2]=3 100 B6R0.2 CN(C[C@H](N)C)C 1P00CL9K [0,0,0,0,0,0|1,0,1]=2 101 B6R0.2 CN(C[C@H](N)C)C 1P01JKRO [0,0,0,0,0,0|1,0,1]=2 102 B6R0.2 CN(C[C@H](O)C)C 1P00DLJ4 [0,0,0,0,0,0|1,0,2]=3 103 B6R0.2 CN(NC(=S)N)C 1P002LU1 [0,0,0,0,0,0|1,1,0]=2 104 B6R0.2 CP(CP(C)C)C 1P003ORG [0,0,0,0,0,0|3,1,0]=4 105 B6R0.2 CS(=O)CC(=O)N 1P028O27 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.2 C[C@@H](CC(=O)N)O 1P028625 [0,0,0,0,0,0|2,0,0]=2 107 B6R0.2 C[C@@H](CC(=O)O)F 1P028OKF [0,0,0,0,0,0|3,0,0]=3 108 B6R0.2 C[C@@H](CC(=O)O)N 1P0036AK [0,0,0,0,0,0|3,0,0]=3 109 B6R0.2 C[C@@H](CC(=O)O)N 1P00IAVS [0,0,0,0,0,0|3,0,0]=3 110 B6R0.2 C[C@@H](CC(=O)O)O 1P003ANQ [0,0,0,0,0,0|3,0,0]=3 111 B6R0.2 C[C@H](CC(=O)N)O 1P027UQQ [0,0,0,0,0,0|2,0,0]=2 112 B6R0.2 C[C@H](CC(=O)O)N 1P003CQA [0,0,0,0,0,0|3,0,0]=3 113 B6R0.2 C[C@H](CC(=O)O)N 1P00EB6J [0,0,0,0,0,0|3,0,0]=3 114 B6R0.2 C[C@H](C[C@@H](O)C)N 1P0283G5 [0,0,0,0,0,0|3,0,1]=4 115 B6R0.2 C\C(=C/C(=O)C)\N 1P008UX7 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.2 C\C(=C/C(=O)C)\O 1P003CFY [0,0,0,0,0,0|3,0,1]=4 117 B6R0.2 C\C(=C\C(=O)O)\I 1P00CS58 [0,0,0,0,0,0|3,0,1]=4 118 B6R0.2 C\C(=C\C(=S)N)\N 1P01S7W5 [0,0,0,0,0,0|2,1,1]=4 119 B6R0.2 ClC(=O)CC(=O)Cl 1P001X31 [0,0,0,0,0,0|4,0,0]=4 120 B6R0.2 ClC(CC(=O)O)Cl 1P027TVM [0,0,0,0,0,0|4,0,0]=4 121 B6R0.2 FC(CC(=O)N)F 1P02856V [0,0,0,0,0,0|3,0,0]=3 122 B6R0.2 FC(CC(=O)O)F 1P001O4C [0,0,0,0,0,0|4,0,0]=4 123 B6R0.2 FC(CC(=S)N)F 1P02495A [0,0,0,0,0,0|3,1,0]=4 124 B6R0.2 IC(=C)CC(=O)O 1P028XTD [0,0,0,0,0,0|3,0,1]=4 125 B6R0.2 NC(=N)CC(=N)N 1P00FUMM [0,0,0,0,0,0|4,0,0]=4 126 B6R0.2 NC(=N)CC(=O)N 1P0035L1 [0,0,0,0,0,0|3,0,0]=3 127 B6R0.2 NC(=N)NC(=O)C 1P0032OW [0,0,0,0,0,0|4,0,0]=4 128 B6R0.2 NC(=N)NC(=O)N 1P003OAL [0,0,0,0,0,0|4,0,0]=4 129 B6R0.2 NC(=N)NC(=O)N 1P003RAF [0,0,0,0,0,0|4,0,0]=4 130 B6R0.2 NC(=N)NC(=O)N 1P006FEH [0,0,0,0,0,0|4,0,0]=4 131 B6R0.2 NC(=O)CC(=O)N 1P0035L2 [0,0,0,0,0,0|3,0,0]=3 132 B6R0.2 NC(=O)CC(=O)O 1P002NQP [0,0,0,0,0,0|3,0,0]=3 133 B6R0.2 NC(=O)CC(=S)N 1P0066II [0,0,0,0,0,0|3,0,0]=3 134 B6R0.2 NC(=O)NC(=O)N 1P003OV4 [0,0,0,0,0,0|4,0,0]=4 135 B6R0.2 NC(=S)CC(=S)N 1P006EF2 [0,0,0,0,0,0|3,1,0]=4 136 B6R0.2 OB(CC(C)C)O 1P0035I8 [0,0,0,0,0,0|3,0,1]=4 137 B6R0.2 [O-]C(=CC(=O)C)C 1P001DMI [0,0,0,0,0,0|3,0,1]=4 138 B6R0.2 [O-]C(=CC(=O)C)C 1P007K19 [0,0,0,0,0,0|3,0,1]=4 139 B6R0.2 [O-]C(=O)CC(=O)C 1P003B7E [0,0,0,0,0,0|3,0,0]=3 140 B6R0.2 [O-]C(=O)CC(=O)C 1P003RRI [0,0,0,0,0,0|3,0,0]=3 141 B6R0.2 [O-]C(=O)CC(=O)N 1P028GWT [0,0,0,0,0,0|3,0,0]=3 142 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P000VMG [0,0,0,0,0,0|4,0,0]=4 143 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P001G81 [0,0,0,0,0,0|4,0,0]=4 144 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P002U04 [0,0,0,0,0,0|4,0,0]=4 145 B6R0.2 [O-]C(=O)CC(O)C 1P001MOO [0,0,0,0,0,0|3,0,0]=3 146 B6R0.2 [O-]C(=O)C[C@@H](O)C 1P000XO5 [0,0,0,0,0,0|3,0,0]=3 147 B6R0.2 [O-]C(=O)C[C@H](O)C 1P0032U9 [0,0,0,0,0,0|3,0,0]=3 148 B6R0.2 [O-]C(=O)C[S+](C)C 1P00I931 [0,0,0,0,0,0|2,0,0]=2 149 B6R0.2 [O-][N+](=O)CC(=O)C 1P0007M7 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.2 [O-][N+](=O)CC(=O)N 1P001CID [0,0,0,0,0,0|2,0,1]=3 151 B6R0.2 [O-][N+](=O)CC(=O)N 1P01EB47 [0,0,0,0,0,0|2,0,1]=3 152 B6R0.2 [O-][N+](=O)CC(O)C 1P01AM6O [0,0,0,0,0,0|4,0,0]=4 153 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000730 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000KUZ [0,0,0,0,0,0|3,0,1]=4 155 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001JBG [0,0,0,0,0,0|3,0,1]=4 156 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001O7Y [0,0,0,0,0,0|3,0,1]=4 157 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001P65 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0034ZO [0,0,0,0,0,0|3,0,1]=4 159 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0035I1 [0,0,0,0,0,0|3,0,1]=4 160 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003A2R [0,0,0,0,0,0|3,0,1]=4 161 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003RWL [0,0,0,0,0,0|3,0,1]=4 162 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00AP2Z [0,0,0,0,0,0|3,0,1]=4 163 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00HXES [0,0,0,0,0,0|3,0,1]=4 164 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00I3HS [0,0,0,0,0,0|3,0,1]=4 165 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00IKWB [0,0,0,0,0,0|3,0,1]=4 166 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P001CNL [0,0,0,0,0,0|3,0,1]=4 167 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P00IM16 [0,0,0,0,0,0|3,0,1]=4 168 B5R0.1 BrCCC(C)C 1P003EL0 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.1 BrCCN(C)C 1P002WCR [1,0,0,0,0,0|1,0,1]=3 170 B5R0.1 C=CCN(C)C 1P003T1I [1,0,0,0,0,0|1,0,0]=2 171 B5R0.1 C=COC(C)C 1P00369A [1,0,0,0,0,0|3,0,0]=4 172 B5R0.1 CC#CC(=O)C 1P008R9O [1,0,0,0,0,0|2,0,1]=4 173 B5R0.1 CC#CC(=O)Cl 1P01GBON [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 CC#CC(=O)N 1P0284HG [1,0,0,0,0,0|1,0,1]=3 175 B5R0.1 CC#CC(=O)O 1P0037I0 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.1 CC(=C)CCN 1P01AVCN [1,0,0,0,0,0|1,0,2]=4 177 B5R0.1 CC(=C)CNN 1P001E50 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.1 CC(=C)CON 1P00DCMU [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 CC(=O)CC#N 1P002PIW [1,0,0,0,0,0|3,0,0]=4 180 B5R0.1 CC(=O)CC=C 1P001AA7 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 CC(=O)CCBr 1P002W1I [1,0,0,0,0,0|3,0,0]=4 182 B5R0.1 CC(=O)CCCl 1P0036JS [1,0,0,0,0,0|3,0,0]=4 183 B5R0.1 CC(=O)CCI 1P028RF9 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.1 CC(=O)CCN 1P00I4LI [1,0,0,0,0,0|2,0,1]=4 185 B5R0.1 CC(=O)CCO 1P0034IJ [1,0,0,0,0,0|3,0,0]=4 186 B5R0.1 CC(CC#C)C 1P003M6F [1,0,0,0,0,0|2,0,1]=4 187 B5R0.1 CC(CC#N)C 1P003480 [1,0,0,0,0,0|1,0,2]=4 188 B5R0.1 CC(CC=C)Br 1P00CRRM [1,0,0,0,0,0|3,0,0]=4 189 B5R0.1 CC(CC=C)I 1P027V5I [1,0,0,0,0,0|3,0,0]=4 190 B5R0.1 CC(CC=C)N 1P01AJI0 [1,0,0,0,0,0|3,0,0]=4 191 B5R0.1 CC(CC=C)O 1P003MEX [1,0,0,0,0,0|3,0,0]=4 192 B5R0.1 CC(CCN)Br 1P028AQ0 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.1 CC(CCN)F 1P01BCXC [1,0,0,0,0,0|2,0,1]=4 194 B5R0.1 CC(CCN)O 1P00C8Q0 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.1 CC(CCN)S 1P01BU4X [1,0,0,0,0,0|2,0,1]=4 196 B5R0.1 CC(CNN)O 1P00757H [1,0,0,0,0,0|3,0,0]=4 197 B5R0.1 CC(CON)O 1P00CNOF [1,0,0,0,0,0|3,0,0]=4 198 B5R0.1 CC(CON)O 1P00IJ60 [1,0,0,0,0,0|3,0,0]=4 199 B5R0.1 CC(C[N+]#[C-])C 1P01I7C4 [1,0,0,0,0,0|3,0,0]=4 200 B5R0.1 CC(N=C=O)C 1P0027IJ [1,0,0,0,0,0|2,0,1]=4 201 B5R0.1 CC=CC(=O)C 1P0039SF [1,0,0,0,0,0|2,0,1]=4 202 B5R0.1 CC=CC(=O)N 1P002NE7 [1,0,0,0,0,0|1,0,1]=3 203 B5R0.1 CCCC(=C)C 1P003I23 [1,0,0,0,0,0|3,0,0]=4 204 B5R0.1 CCCC(=N)N 1P003ABQ [1,0,0,0,0,0|2,0,0]=3 205 B5R0.1 CCCC(=O)C 1P0038PH [1,0,0,0,0,0|2,0,0]=3 206 B5R0.1 CCCC(=O)N 1P003P36 [1,0,0,0,0,0|1,0,0]=2 207 B5R0.1 CCCC(=O)O 1P0038GU [1,0,0,0,0,0|2,0,0]=3 208 B5R0.1 CCCC(=O)[O-] 1P00EBJ7 [1,0,0,0,0,0|2,0,0]=3 209 B5R0.1 CCCC(=O)[O-] 1P01XCJO [1,0,0,0,0,0|2,0,0]=3 210 B5R0.1 CCCC(=S)N 1P001WK6 [1,0,0,0,0,0|1,1,0]=3 211 B5R0.1 CCCC(=S)O 1P003K88 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.1 CCCC(N)C 1P003H0I [1,0,0,0,0,0|2,0,1]=4 213 B5R0.1 CCCC(N)C 1P019VIM [1,0,0,0,0,0|2,0,1]=4 214 B5R0.1 CCCN(=O)=O 1P003F15 [1,0,0,0,0,0|3,0,0]=4 215 B5R0.1 CCCS(=O)Cl 1P002N6R [1,0,0,0,0,0|3,0,0]=4 216 B5R0.1 CCCS(=O)N 1P01BFYB [1,0,0,0,0,0|2,0,0]=3 217 B5R0.1 CCC[C@@H](N)C 1P003AOE [1,0,0,0,0,0|2,0,1]=4 218 B5R0.1 CCC[C@H](N)C 1P01DUMC [1,0,0,0,0,0|2,0,1]=4 219 B5R0.1 CCNC(=N)N 1P003TH2 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.1 CCNC(=O)C 1P003TGP [1,0,0,0,0,0|3,0,0]=4 221 B5R0.1 CCNC(=O)N 1P0035E0 [1,0,0,0,0,0|2,0,0]=3 222 B5R0.1 CCNC(=S)N 1P003R0B [1,0,0,0,0,0|2,1,0]=4 223 B5R0.1 CCOC(=O)C 1P001G6Z [1,0,0,0,0,0|3,0,0]=4 224 B5R0.1 CCOC(=O)N 1P003691 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.1 CCOC(=S)N 1P00391U [1,0,0,0,0,0|2,1,0]=4 226 B5R0.1 CCSC(=N)N 1P003UPH [1,0,0,0,0,0|3,0,0]=4 227 B5R0.1 CC[O+]=C(N)N 1P00BZYF [1,0,0,0,0,0|3,0,0]=4 228 B5R0.1 CN(CC#C)C 1P00337R [1,0,0,0,0,0|1,0,1]=3 229 B5R0.1 CN(CC#N)C 1P019MYJ [1,0,0,0,0,0|0,0,2]=3 230 B5R0.1 CN(CCO)N 1P028MN5 [1,0,0,0,0,0|1,0,2]=4 231 B5R0.1 CNCC(=C)Br 1P02823C [1,0,0,0,0,0|2,0,0]=3 232 B5R0.1 CNCC(=C)C 1P01BV54 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.1 CNCC(=C)F 1P028F1V [1,0,0,0,0,0|2,0,0]=3 234 B5R0.1 CNCC(=O)N 1P0033CB [1,0,0,0,0,0|0,0,0]=1 235 B5R0.1 CNCC(=O)O 1P003UNZ [1,0,0,0,0,0|1,0,0]=2 236 B5R0.1 CNCC(=O)O 1P003UO1 [1,0,0,0,0,0|1,0,0]=2 237 B5R0.1 CNCC(Br)F 1P027VPR [1,0,0,0,0,0|2,0,1]=4 238 B5R0.1 CNCC(C)C 1P003TOH [1,0,0,0,0,0|2,0,1]=4 239 B5R0.1 CNCC(C)C 1P01A81L [1,0,0,0,0,0|2,0,1]=4 240 B5R0.1 CNCC(Cl)Cl 1P01BBY6 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.1 CNCC(Cl)F 1P0291RS [1,0,0,0,0,0|2,0,1]=4 242 B5R0.1 CNCC(F)F 1P009IDJ [1,0,0,0,0,0|2,0,1]=4 243 B5R0.1 CNCC(N)C 1P019ZXS [1,0,0,0,0,0|1,0,1]=3 244 B5R0.1 CNCC(O)C 1P001XCL [1,0,0,0,0,0|1,0,2]=4 245 B5R0.1 CNC[C@@H](O)C 1P00FID0 [1,0,0,0,0,0|1,0,2]=4 246 B5R0.1 CNC[C@@H](O)C 1P01BB67 [1,0,0,0,0,0|1,0,2]=4 247 B5R0.1 CNC[C@H](O)C 1P00A1NI [1,0,0,0,0,0|1,0,2]=4 248 B5R0.1 CNC[C@H](O)C 1P01BAVA [1,0,0,0,0,0|1,0,2]=4 249 B5R0.1 CNN=C(N)C 1P01BE58 [1,0,0,0,0,0|2,0,0]=3 250 B5R0.1 CNNC(=O)C 1P0284CW [1,0,0,0,0,0|2,0,0]=3 251 B5R0.1 CNNC(=S)N 1P00BDKA [1,0,0,0,0,0|1,1,0]=3 252 B5R0.1 CNNC(=S)N 1P028905 [1,0,0,0,0,0|1,1,0]=3 253 B5R0.1 CNOC(=O)C 1P003TW6 [1,0,0,0,0,0|2,0,0]=3 254 B5R0.1 COCC(=C)Br 1P003ZIJ [1,0,0,0,0,0|3,0,0]=4 255 B5R0.1 COCC(=C)C 1P00CC6P [1,0,0,0,0,0|3,0,0]=4 256 B5R0.1 COCC(=N)N 1P002EXM [1,0,0,0,0,0|2,0,0]=3 257 B5R0.1 COCC(=O)C 1P0035LL [1,0,0,0,0,0|2,0,0]=3 258 B5R0.1 COCC(=O)Cl 1P003RYU [1,0,0,0,0,0|2,0,0]=3 259 B5R0.1 COCC(=O)N 1P001UIN [1,0,0,0,0,0|1,0,0]=2 260 B5R0.1 COCC(=O)O 1P0035LK [1,0,0,0,0,0|2,0,0]=3 261 B5R0.1 COCC(=S)N 1P00PGHJ [1,0,0,0,0,0|1,1,0]=3 262 B5R0.1 COCC(N)C 1P00IC7T [1,0,0,0,0,0|2,0,1]=4 263 B5R0.1 COCN(C)C 1P00EJXU [1,0,0,0,0,0|2,0,0]=3 264 B5R0.1 COC[C@@H](N)C 1P019T8E [1,0,0,0,0,0|2,0,1]=4 265 B5R0.1 COC[C@H](N)C 1P003741 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.1 COC[C@H](N)C 1P003CJ4 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.1 CONC(=O)C 1P0037YO [1,0,0,0,0,0|3,0,0]=4 268 B5R0.1 CONC(=O)N 1P00CZW1 [1,0,0,0,0,0|2,0,0]=3 269 B5R0.1 CP(=O)CC=C 1P028EBH [1,0,0,0,0,0|2,1,0]=4 270 B5R0.1 CS(=O)CCN 1P00DGD5 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.1 CSCC(=N)N 1P00VW0I [1,0,0,0,0,0|2,0,0]=3 272 B5R0.1 CSCC(=O)C 1P001GCU [1,0,0,0,0,0|2,0,0]=3 273 B5R0.1 CSCC(=O)Cl 1P007DQ1 [1,0,0,0,0,0|2,0,0]=3 274 B5R0.1 CSCC(=O)N 1P0039C2 [1,0,0,0,0,0|1,0,0]=2 275 B5R0.1 CSCC(=O)O 1P003CI8 [1,0,0,0,0,0|2,0,0]=3 276 B5R0.1 CSCC(=S)N 1P001EKS [1,0,0,0,0,0|1,1,0]=3 277 B5R0.1 CSCC(N)C 1P018SKQ [1,0,0,0,0,0|2,0,1]=4 278 B5R0.1 CSCS(=O)C 1P003SLK [1,0,0,0,0,0|3,0,0]=4 279 B5R0.1 CSC[C@@H](N)C 1P024Q9Z [1,0,0,0,0,0|2,0,1]=4 280 B5R0.1 CSC[C@H](N)C 1P028CDR [1,0,0,0,0,0|2,0,1]=4 281 B5R0.1 C[C@@H](CC=C)O 1P003CY3 [1,0,0,0,0,0|3,0,0]=4 282 B5R0.1 C[C@@H](CCN)F 1P028TPL [1,0,0,0,0,0|2,0,1]=4 283 B5R0.1 C[C@@H](CCN)O 1P01A1MV [1,0,0,0,0,0|2,0,1]=4 284 B5R0.1 C[C@H](CC=C)O 1P0032UG [1,0,0,0,0,0|3,0,0]=4 285 B5R0.1 C[C@H](CCN)O 1P00I0QG [1,0,0,0,0,0|2,0,1]=4 286 B5R0.1 C[C@H](CCN)O 1P01A1MU [1,0,0,0,0,0|2,0,1]=4 287 B5R0.1 C\C=C\C(=O)C 1P0032ET [1,0,0,0,0,0|2,0,1]=4 288 B5R0.1 C\C=C\C(=O)Cl 1P00359Z [1,0,0,0,0,0|2,0,1]=4 289 B5R0.1 C\C=C\C(=O)N 1P00EF6M [1,0,0,0,0,0|1,0,1]=3 290 B5R0.1 C\C=C\C(=O)O 1P00353L [1,0,0,0,0,0|2,0,1]=4 291 B5R0.1 ClC(=O)CC#N 1P001SSB [1,0,0,0,0,0|3,0,0]=4 292 B5R0.1 ClC(=O)CC=C 1P001EYT [1,0,0,0,0,0|2,0,1]=4 293 B5R0.1 ClC(=O)CCBr 1P003JLT [1,0,0,0,0,0|3,0,0]=4 294 B5R0.1 ClCCC(C)C 1P003EON [1,0,0,0,0,0|2,0,1]=4 295 B5R0.1 ClCCN(C)C 1P0033QY [1,0,0,0,0,0|1,0,1]=3 296 B5R0.1 ClCC[S+](C)C 1P00BJNK [1,0,0,0,0,0|2,0,1]=4 297 B5R0.1 FCCC(=O)Cl 1P006UO9 [1,0,0,0,0,0|3,0,0]=4 298 B5R0.1 FCCN(C)C 1P028TKR [1,0,0,0,0,0|1,0,1]=3 299 B5R0.1 ICCC(C)C 1P0035I5 [1,0,0,0,0,0|2,0,1]=4 300 B5R0.1 ICCN(C)C 1P01BXUP [1,0,0,0,0,0|1,0,1]=3 301 B5R0.1 NC(=N)CC#N 1P01A7G3 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.1 NC(=N)CCO 1P000YQA [1,0,0,0,0,0|3,0,0]=4 303 B5R0.1 NC(=N)CCO 1P00DC0R [1,0,0,0,0,0|3,0,0]=4 304 B5R0.1 NC(=O)CC#N 1P0033QM [1,0,0,0,0,0|2,0,0]=3 305 B5R0.1 NC(=O)CCBr 1P003919 [1,0,0,0,0,0|2,0,0]=3 306 B5R0.1 NC(=O)CCCl 1P003JS0 [1,0,0,0,0,0|2,0,0]=3 307 B5R0.1 NC(=O)CCO 1P002TZD [1,0,0,0,0,0|2,0,0]=3 308 B5R0.1 NC(=O)CCS 1P0038WG [1,0,0,0,0,0|2,0,0]=3 309 B5R0.1 NC(=O)CN=C 1P003SKE [1,0,0,0,0,0|0,0,2]=3 310 B5R0.1 NC(=O)CNO 1P0281CX [1,0,0,0,0,0|1,0,0]=2 311 B5R0.1 NC(=O)NC=C 1P0080RL [1,0,0,0,0,0|2,0,1]=4 312 B5R0.1 NC(=O)\C=C/Br 1P028CL9 [1,0,0,0,0,0|2,0,1]=4 313 B5R0.1 NC(=O)\C=C\Cl 1P01EWSO [1,0,0,0,0,0|2,0,1]=4 314 B5R0.1 NC(=S)CC#N 1P003703 [1,0,0,0,0,0|2,1,0]=4 315 B5R0.1 NC(=S)CCO 1P0291FG [1,0,0,0,0,0|2,1,0]=4 316 B5R0.1 NCC=C(C)C 1P0018SM [1,0,0,0,0,0|1,0,2]=4 317 B5R0.1 NCC=C(C)C 1P00BCD3 [1,0,0,0,0,0|1,0,2]=4 318 B5R0.1 NCCC(=N)N 1P01ACE1 [1,0,0,0,0,0|3,0,0]=4 319 B5R0.1 NCCC(=O)N 1P00E94U [1,0,0,0,0,0|2,0,0]=3 320 B5R0.1 NCCC(=O)O 1P00369Y [1,0,0,0,0,0|3,0,0]=4 321 B5R0.1 NCCC(=S)N 1P01EIHU [1,0,0,0,0,0|2,1,0]=4 322 B5R0.1 NCCC(C)C 1P0035IO [1,0,0,0,0,0|1,0,1]=3 323 B5R0.1 NCCC(C)C 1P00DNHQ [1,0,0,0,0,0|1,0,1]=3 324 B5R0.1 NCCC(N)C 1P01AKTL [1,0,0,0,0,0|2,0,1]=4 325 B5R0.1 NCCN(C)C 1P0033QZ [1,0,0,0,0,0|0,0,1]=2 326 B5R0.1 NCCN(C)C 1P01JRDL [1,0,0,0,0,0|0,0,1]=2 327 B5R0.1 NNCC(=O)N 1P00E0F3 [1,0,0,0,0,0|1,0,0]=2 328 B5R0.1 NNCC(=O)O 1P001GYX [1,0,0,0,0,0|2,0,0]=3 329 B5R0.1 NNCC(=O)O 1P01A6IH [1,0,0,0,0,0|2,0,0]=3 330 B5R0.1 NNCC(C)C 1P002ONR [1,0,0,0,0,0|2,0,0]=3 331 B5R0.1 NNCC(C)C 1P00C79N [1,0,0,0,0,0|2,0,0]=3 332 B5R0.1 NNCC(C)C 1P01A4K7 [1,0,0,0,0,0|2,0,0]=3 333 B5R0.1 NNCC(N)C 1P01B8TM [1,0,0,0,0,0|2,0,1]=4 334 B5R0.1 NOCC(=O)N 1P007ETV [1,0,0,0,0,0|2,0,0]=3 335 B5R0.1 NOCC(=O)N 1P01A4U9 [1,0,0,0,0,0|2,0,0]=3 336 B5R0.1 NOCC(=O)O 1P00291K [1,0,0,0,0,0|3,0,0]=4 337 B5R0.1 NOCC(=O)O 1P002Y6G [1,0,0,0,0,0|3,0,0]=4 338 B5R0.1 NOCC(=O)O 1P006TUD [1,0,0,0,0,0|3,0,0]=4 339 B5R0.1 NOCC(C)C 1P003TXW [1,0,0,0,0,0|2,0,0]=3 340 B5R0.1 NS(=O)CCCl 1P01C9JV [1,0,0,0,0,0|3,0,0]=4 341 B5R0.1 O=CC=C(C)C 1P00347P [1,0,0,0,0,0|1,0,1]=3 342 B5R0.1 O=CCC(C)C 1P003938 [1,0,0,0,0,0|1,0,0]=2 343 B5R0.1 O=CCN(C)C 1P000R2Q [1,0,0,0,0,0|0,0,0]=1 344 B5R0.1 O=CCN(C)C 1P001GSU [1,0,0,0,0,0|0,0,0]=1 345 B5R0.1 O=CNC(C)C 1P00BBY6 [1,0,0,0,0,0|2,0,0]=3 346 B5R0.1 O=CNN(C)C 1P00C6WA [1,0,0,0,0,0|1,0,0]=2 347 B5R0.1 O=NNC(=O)N 1P000UHK [1,0,0,0,0,0|2,0,1]=4 348 B5R0.1 OC(=O)CC#C 1P002NQQ [1,0,0,0,0,0|2,0,1]=4 349 B5R0.1 OC(=O)CC#N 1P00353R [1,0,0,0,0,0|3,0,0]=4 350 B5R0.1 OC(=O)CC#N 1P008VPM [1,0,0,0,0,0|3,0,0]=4 351 B5R0.1 OC(=O)CC=C 1P00369B [1,0,0,0,0,0|2,0,1]=4 352 B5R0.1 OC(=O)CCBr 1P003JLR [1,0,0,0,0,0|3,0,0]=4 353 B5R0.1 OC(=O)CCCl 1P003JS1 [1,0,0,0,0,0|3,0,0]=4 354 B5R0.1 OC(=O)CCF 1P00DG5V [1,0,0,0,0,0|3,0,0]=4 355 B5R0.1 OC(=O)CCI 1P001G70 [1,0,0,0,0,0|3,0,0]=4 356 B5R0.1 OC(=O)CCS 1P00347D [1,0,0,0,0,0|3,0,0]=4 357 B5R0.1 OCCC(=O)O 1P00387S [1,0,0,0,0,0|3,0,0]=4 358 B5R0.1 OCCC(C)C 1P000KDR [1,0,0,0,0,0|1,0,2]=4 359 B5R0.1 OCCN(C)C 1P002QJK [1,0,0,0,0,0|0,0,2]=3 360 B5R0.1 OCCN(C)C 1P0033C5 [1,0,0,0,0,0|0,0,2]=3 361 B5R0.1 OCCN(C)C 1P00379C [1,0,0,0,0,0|0,0,2]=3 362 B5R0.1 ONCC(=C)Br 1P0289B9 [1,0,0,0,0,0|3,0,0]=4 363 B5R0.1 ONCC(=O)O 1P007CCU [1,0,0,0,0,0|2,0,0]=3 364 B5R0.1 SCCC(=O)O 1P007OUY [1,0,0,0,0,0|3,0,0]=4 365 B5R0.1 SCCC(C)C 1P003K55 [1,0,0,0,0,0|1,1,1]=4 366 B5R0.1 SCCN(C)C 1P00115M [1,0,0,0,0,0|0,1,1]=3 367 B5R0.1 [O-]C(=O)CC#N 1P00ICJS [1,0,0,0,0,0|3,0,0]=4 368 B5R0.1 [O-]C(=O)CCC 1P001OVQ [1,0,0,0,0,0|2,0,0]=3 369 B5R0.1 [O-]C(=O)CCN 1P001XGH [1,0,0,0,0,0|3,0,0]=4 370 B5R0.1 [O-]C(=O)CCO 1P00EFHM [1,0,0,0,0,0|3,0,0]=4 371 B5R0.1 [O-]C(=O)CNC 1P003UUQ [1,0,0,0,0,0|1,0,0]=2 372 B5R0.1 [O-]C(=O)C[N+]#[C-] 1P00EM2K [1,0,0,0,0,0|1,0,2]=4 373 B5R0.1 [O-]S(=O)CCC 1P01BCHD [1,0,0,0,0,0|3,0,0]=4 374 B7R0.2 BrCC(=O)NC(C)C 1P0038WV [0,1,0,0,0,0|3,0,0]=4 375 B7R0.2 BrCC(=O)OC(C)C 1P003RLF [0,1,0,0,0,0|3,0,0]=4 376 B7R0.2 C=CC(=O)NC(C)C 1P003TLD [0,1,0,0,0,0|3,0,0]=4 377 B7R0.2 C=CC(=O)OC(C)C 1P00FCDR [0,1,0,0,0,0|3,0,0]=4 378 B7R0.2 CC(=C=C)CC(=O)O 1P028EHI [0,1,0,0,0,0|2,0,1]=4 379 B7R0.2 CC(C#N)CC(=O)C 1P00D1CU [0,1,0,0,0,0|2,0,1]=4 380 B7R0.2 CC(C#N)CC(=O)O 1P01B8RV [0,1,0,0,0,0|2,0,1]=4 381 B7R0.2 CC(C#N)NC(=O)N 1P01BAS1 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.2 CC(C=C)CC(=O)O 1P002H0Z [0,1,0,0,0,0|2,0,1]=4 383 B7R0.2 CC(CC(=NO)N)C 1P019XUL [0,1,0,0,0,0|1,0,1]=3 384 B7R0.2 CC(CC(=O)CN)Cl 1P01BI4J [0,1,0,0,0,0|2,0,0]=3 385 B7R0.2 CC(CC(=O)NN)O 1P002OWV [0,1,0,0,0,0|2,0,0]=3 386 B7R0.2 CC(CC)CC(=N)N 1P00J1UG [0,1,0,0,0,0|2,0,0]=3 387 B7R0.2 CC(CC)CC(=O)O 1P00359B [0,1,0,0,0,0|2,0,0]=3 388 B7R0.2 CC(CF)CC(=O)O 1P01SVBB [0,1,0,0,0,0|2,0,0]=3 389 B7R0.2 CC(CN(N=O)C)C 1P00D23L [0,1,0,0,0,0|3,0,0]=4 390 B7R0.2 CC(CN)CC(=O)O 1P01A0Y2 [0,1,0,0,0,0|2,0,0]=3 391 B7R0.2 CC(NC(=O)C)CCl 1P01C49W [0,1,0,0,0,0|3,0,0]=4 392 B7R0.2 CC(NC(=O)N)CC 1P00ICCE [0,1,0,0,0,0|2,0,0]=3 393 B7R0.2 CC(NC)CC(=O)N 1P00J30L [0,1,0,0,0,0|1,0,0]=2 394 B7R0.2 CC(NC)CC(=O)O 1P001XOH [0,1,0,0,0,0|2,0,0]=3 395 B7R0.2 CC(OC(=O)C#C)C 1P005W1X [0,1,0,0,0,0|3,0,0]=4 396 B7R0.2 CC(OC(=O)Cl)CC 1P0020AG [0,1,0,0,0,0|3,0,0]=4 397 B7R0.2 CC(OC)CC(=N)N 1P0286E7 [0,1,0,0,0,0|2,0,0]=3 398 B7R0.2 CC(OC)CC(=O)O 1P0001T2 [0,1,0,0,0,0|2,0,0]=3 399 B7R0.2 CC(SC)CC(=O)O 1P00B61I [0,1,0,0,0,0|2,0,0]=3 400 B7R0.2 CCC(=O)CC(=O)C 1P00BDMU [0,1,0,0,0,0|3,0,0]=4 401 B7R0.2 CCC(=O)CC(C)C 1P003NCQ [0,1,0,0,0,0|2,0,0]=3 402 B7R0.2 CCC(CC(=O)C)C 1P0038PR [0,1,0,0,0,0|2,0,0]=3 403 B7R0.2 CCC(CC(=O)O)N 1P003ANY [0,1,0,0,0,0|3,0,0]=4 404 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [0,1,0,0,0,0|3,0,0]=4 405 B7R0.2 CCC(CC(=O)O)O 1P0007RC [0,1,0,0,0,0|3,0,0]=4 406 B7R0.2 CCC(CC(N)C)C 1P0018C1 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.2 CCC(CN(C)C)N 1P00FDJ9 [0,1,0,0,0,0|1,0,1]=3 408 B7R0.2 CCC(CN(C)C)O 1P01C0YO [0,1,0,0,0,0|1,0,2]=4 409 B7R0.2 CCN(CC(=O)C)C 1P0091DD [0,1,0,0,0,0|1,0,0]=2 410 B7R0.2 CCS(=O)CC(=O)O 1P00EEBB [0,1,0,0,0,0|3,0,0]=4 411 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [0,1,0,0,0,0|3,0,0]=4 412 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [0,1,0,0,0,0|3,0,0]=4 413 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [0,1,0,0,0,0|3,0,0]=4 414 B7R0.2 CC[C@@H](CN(C)C)N 1P01JM52 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [0,1,0,0,0,0|3,0,0]=4 416 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [0,1,0,0,0,0|3,0,0]=4 417 B7R0.2 CN(C=C(C#N)C)C 1P019ZQB [0,1,0,0,0,0|1,0,2]=4 418 B7R0.2 CN(CC)CC(=O)O 1P003AQF [0,1,0,0,0,0|1,0,0]=2 419 B7R0.2 CN(CC)CC(=O)O 1P028PG4 [0,1,0,0,0,0|1,0,0]=2 420 B7R0.2 CNC(=N)CC(C)C 1P027TW0 [0,1,0,0,0,0|2,0,0]=3 421 B7R0.2 CNC(=O)CC(=N)N 1P00J2YF [0,1,0,0,0,0|3,0,0]=4 422 B7R0.2 CNC(=O)CC(=O)C 1P00294W [0,1,0,0,0,0|2,0,0]=3 423 B7R0.2 CNC(=O)CC(=O)O 1P00C9G5 [0,1,0,0,0,0|3,0,0]=4 424 B7R0.2 CNC(=O)CC(=S)N 1P00ENNA [0,1,0,0,0,0|2,1,0]=4 425 B7R0.2 CNC(=O)CC(N)C 1P01C1RO [0,1,0,0,0,0|2,0,0]=3 426 B7R0.2 CNC(=O)CN(C)C 1P0059D4 [0,1,0,0,0,0|0,0,0]=1 427 B7R0.2 CNC(=O)C[C@H](O)C 1P027V34 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.2 CNC(=O)NC(=O)C 1P003ED7 [0,1,0,0,0,0|3,0,0]=4 429 B7R0.2 CNC(CC(C)C)C 1P00C91A [0,1,0,0,0,0|2,0,1]=4 430 B7R0.2 CNC(CC(C)C)C 1P00H2IP [0,1,0,0,0,0|2,0,1]=4 431 B7R0.2 CNC(CS(=O)C)C 1P01A733 [0,1,0,0,0,0|3,0,0]=4 432 B7R0.2 CN[C@@H](CN(C)C)C 1P0285E5 [0,1,0,0,0,0|1,0,1]=3 433 B7R0.2 CN[C@H](CN(C)C)C 1P028AS3 [0,1,0,0,0,0|1,0,1]=3 434 B7R0.2 COC(=N)CC(C)C 1P01BS5V [0,1,0,0,0,0|1,0,2]=4 435 B7R0.2 COC(=O)C=C(C)C 1P003IU0 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.2 COC(=O)CC(=C)C 1P00BOHX [0,1,0,0,0,0|2,0,1]=4 437 B7R0.2 COC(=O)CC(=N)N 1P00J2XS [0,1,0,0,0,0|3,0,0]=4 438 B7R0.2 COC(=O)CC(=O)C 1P003SFS [0,1,0,0,0,0|3,0,0]=4 439 B7R0.2 COC(=O)CC(=O)Cl 1P0035NG [0,1,0,0,0,0|3,0,0]=4 440 B7R0.2 COC(=O)CC(=O)N 1P00DBY3 [0,1,0,0,0,0|2,0,0]=3 441 B7R0.2 COC(=O)CC(=S)N 1P003S7N [0,1,0,0,0,0|2,1,0]=4 442 B7R0.2 COC(=O)CC(Br)C 1P007P3N [0,1,0,0,0,0|3,0,0]=4 443 B7R0.2 COC(=O)CC(C)C 1P0035PM [0,1,0,0,0,0|2,0,0]=3 444 B7R0.2 COC(=O)CC(F)C 1P028RKB [0,1,0,0,0,0|3,0,0]=4 445 B7R0.2 COC(=O)CC(N)C 1P009Z7X [0,1,0,0,0,0|3,0,0]=4 446 B7R0.2 COC(=O)CC(O)C 1P001LLF [0,1,0,0,0,0|3,0,0]=4 447 B7R0.2 COC(=O)CC(S)C 1P00DGF5 [0,1,0,0,0,0|3,0,0]=4 448 B7R0.2 COC(=O)CN(C)C 1P003T1V [0,1,0,0,0,0|1,0,0]=2 449 B7R0.2 COC(=O)CS(=O)C 1P00E2WS [0,1,0,0,0,0|3,0,0]=4 450 B7R0.2 COC(=O)C[C@@H](N)C 1P001B0R [0,1,0,0,0,0|3,0,0]=4 451 B7R0.2 COC(=O)C[C@@H](O)C 1P003D49 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.2 COC(=O)C[C@H](F)C 1P01G18M [0,1,0,0,0,0|3,0,0]=4 453 B7R0.2 COC(=O)C[C@H](N)C 1P001B0S [0,1,0,0,0,0|3,0,0]=4 454 B7R0.2 COC(=O)C[C@H](N)C 1P008Y0A [0,1,0,0,0,0|3,0,0]=4 455 B7R0.2 COC(=O)C[C@H](O)C 1P003RZI [0,1,0,0,0,0|3,0,0]=4 456 B7R0.2 COC(=O)SC(C)C 1P01XBN3 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.2 CO\C(=C/C(=O)C)\C 1P00BW7O [0,1,0,0,0,0|2,0,1]=4 458 B7R0.2 CSC(=S)CC(=O)C 1P028YW3 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.2 C[C@@H](C=C)CC(=O)O 1P005CDB [0,1,0,0,0,0|2,0,1]=4 460 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [0,1,0,0,0,0|2,0,0]=3 461 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [0,1,0,0,0,0|2,0,0]=3 462 B7R0.2 C[C@H](CN)CC(=O)O 1P01BS0C [0,1,0,0,0,0|2,0,0]=3 463 B7R0.2 C[C@H](NC(=S)N)CC 1P005ZY2 [0,1,0,0,0,0|2,1,0]=4 464 B7R0.2 C\C(=C/C(=O)O)\CC 1P002C5I [0,1,0,0,0,0|2,0,1]=4 465 B7R0.2 C\C(=C/C(=O)O)\CN 1P028ZWZ [0,1,0,0,0,0|2,0,1]=4 466 B7R0.2 ClCC(=O)C=C(C)C 1P003WCV [0,1,0,0,0,0|2,0,1]=4 467 B7R0.2 ClCC(=O)CC(C)C 1P00CLO7 [0,1,0,0,0,0|2,0,0]=3 468 B7R0.2 ClCC(=O)NC(C)C 1P002XNF [0,1,0,0,0,0|3,0,0]=4 469 B7R0.2 ClCC(=O)OC(C)C 1P003RLH [0,1,0,0,0,0|3,0,0]=4 470 B7R0.2 ClCC(CC(=O)Cl)C 1P00IBOT [0,1,0,0,0,0|2,0,0]=3 471 B7R0.2 ClCC(CN(C)C)C 1P0037OE [0,1,0,0,0,0|2,0,1]=4 472 B7R0.2 FCC(CN(C)C)O 1P01SHBX [0,1,0,0,0,0|1,0,2]=4 473 B7R0.2 ICC(=O)NC(C)C 1P003TLG [0,1,0,0,0,0|3,0,0]=4 474 B7R0.2 NC(=O)NC(=O)CBr 1P01BKTU [0,1,0,0,0,0|3,0,0]=4 475 B7R0.2 NC(=O)NC(=O)CCl 1P00DBW7 [0,1,0,0,0,0|3,0,0]=4 476 B7R0.2 NC(=O)NC(=O)CO 1P028BC8 [0,1,0,0,0,0|3,0,0]=4 477 B7R0.2 NC(C#N)CC(C)C 1P003GW7 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.2 NC(CC(C)C)C#C 1P028CW7 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.2 NCC(=O)CC(C)C 1P007R1H [0,1,0,0,0,0|1,0,0]=2 480 B7R0.2 NCC(=O)NC(C)C 1P00FDGN [0,1,0,0,0,0|2,0,0]=3 481 B7R0.2 NCC(=O)NC(C)C 1P00IBC3 [0,1,0,0,0,0|2,0,0]=3 482 B7R0.2 NCC(=O)OC(C)C 1P003REC [0,1,0,0,0,0|2,0,0]=3 483 B7R0.2 NCC(CC(=O)O)N 1P01AIHR [0,1,0,0,0,0|3,0,0]=4 484 B7R0.2 NCC(CC(=O)O)O 1P0036KT [0,1,0,0,0,0|3,0,0]=4 485 B7R0.2 NCC(CC(C)C)C 1P001EUF [0,1,0,0,0,0|2,0,1]=4 486 B7R0.2 NCC(CC(C)C)N 1P01AHNN [0,1,0,0,0,0|2,0,1]=4 487 B7R0.2 NCC(CC(C)C)N 1P027ZZ1 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.2 NCC(CC(C)C)O 1P01AKJN [0,1,0,0,0,0|1,0,2]=4 489 B7R0.2 NCC(CN(C)C)C 1P00EEA8 [0,1,0,0,0,0|1,0,1]=3 490 B7R0.2 NCC(CN(C)C)O 1P00DL1G [0,1,0,0,0,0|0,0,2]=3 491 B7R0.2 NC[C@@H](CC(=O)O)C 1P01C10F [0,1,0,0,0,0|2,0,0]=3 492 B7R0.2 NC[C@@H](CC(=O)O)O 1P00FBR6 [0,1,0,0,0,0|3,0,0]=4 493 B7R0.2 NC[C@@H](CN(C)C)O 1P028UG1 [0,1,0,0,0,0|0,0,2]=3 494 B7R0.2 NC[C@H](CC(=O)O)O 1P0032WR [0,1,0,0,0,0|3,0,0]=4 495 B7R0.2 NC[C@H](CC(C)C)O 1P02843Z [0,1,0,0,0,0|1,0,2]=4 496 B7R0.2 NNC(=O)CC(C)C 1P007O9X [0,1,0,0,0,0|1,0,0]=2 497 B7R0.2 NNC(=O)CN(C)C 1P00DA0I [0,1,0,0,0,0|0,0,0]=1 498 B7R0.2 NNC(=O)CN(C)C 1P00EEQJ [0,1,0,0,0,0|0,0,0]=1 499 B7R0.2 NNC(=O)NC(C)C 1P00F225 [0,1,0,0,0,0|2,0,0]=3 500 B7R0.2 NNC(=O)OC(C)C 1P003UFH [0,1,0,0,0,0|2,0,0]=3 501 B7R0.2 NNC(=S)NC(C)C 1P003M21 [0,1,0,0,0,0|2,1,0]=4 502 B7R0.2 NNC(CC(=O)O)C 1P01BE2H [0,1,0,0,0,0|3,0,0]=4 503 B7R0.2 N[C@H](CC(C)C)C#C 1P028YD6 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.2 O=CC(=CN(C)C)Br 1P002TGZ [0,1,0,0,0,0|1,0,1]=3 505 B7R0.2 O=CC(=CN(C)C)C 1P002FMH [0,1,0,0,0,0|1,0,1]=3 506 B7R0.2 O=CC(CC(C)C)C 1P007MEQ [0,1,0,0,0,0|2,0,1]=4 507 B7R0.2 O=CN(CC(=O)O)O 1P005NMO [0,1,0,0,0,0|2,0,1]=4 508 B7R0.2 O=C\C(=C\N(C)C)\Br 1P028WX8 [0,1,0,0,0,0|1,0,1]=3 509 B7R0.2 O=NN(CC(=O)O)C 1P0011AW [0,1,0,0,0,0|2,0,0]=3 510 B7R0.2 OC(=O)CC(=O)CCl 1P002V93 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.2 OCC(=C)CN(C)C 1P01EN4E [0,1,0,0,0,0|1,0,1]=3 512 B7R0.2 OCC(=O)NC(C)C 1P01AHTP [0,1,0,0,0,0|3,0,0]=4 513 B7R0.2 OCC(=O)OC(C)C 1P003RLM [0,1,0,0,0,0|3,0,0]=4 514 B7R0.2 OCC(CC(=O)O)N 1P00EDPJ [0,1,0,0,0,0|3,0,0]=4 515 B7R0.2 OCC(CC(C)C)N 1P001US9 [0,1,0,0,0,0|1,0,2]=4 516 B7R0.2 OCC(CN(C)C)C 1P00C907 [0,1,0,0,0,0|1,0,2]=4 517 B7R0.2 OCC(CN(C)C)F 1P028TBJ [0,1,0,0,0,0|1,0,2]=4 518 B7R0.2 OCC(CN(C)C)N 1P01BBOU [0,1,0,0,0,0|0,0,2]=3 519 B7R0.2 OCC(CN(C)C)O 1P003JTV [0,1,0,0,0,0|1,0,2]=4 520 B7R0.2 OC[C@@H](CC(=O)O)N 1P001VOE [0,1,0,0,0,0|3,0,0]=4 521 B7R0.2 OC[C@@H](CC(C)C)N 1P00IA06 [0,1,0,0,0,0|1,0,2]=4 522 B7R0.2 OC[C@@H](CN(C)C)N 1P028NX5 [0,1,0,0,0,0|0,0,2]=3 523 B7R0.2 OC[C@@H](CN(C)C)O 1P00G1XW [0,1,0,0,0,0|1,0,2]=4 524 B7R0.2 OC[C@H](CC(=O)O)N 1P001VOD [0,1,0,0,0,0|3,0,0]=4 525 B7R0.2 OC[C@H](CC(C)C)N 1P003CX1 [0,1,0,0,0,0|1,0,2]=4 526 B7R0.2 OC[C@H](CN(C)C)N 1P02924Y [0,1,0,0,0,0|0,0,2]=3 527 B7R0.2 ON=C(CN(C)C)N 1P01B66X [0,1,0,0,0,0|0,0,1]=2 528 B7R0.2 ONC(=N)CN(C)C 1P00FD1A [0,1,0,0,0,0|1,0,0]=2 529 B7R0.2 O[C@H](CF)CC(=O)O 1P029037 [0,1,0,0,0,0|3,0,0]=4 530 B7R0.2 O\N=C(\CN(C)C)/N 1P00J2JY [0,1,0,0,0,0|0,0,1]=2 531 B7R0.2 SCC(=O)OC(C)C 1P008QDW [0,1,0,0,0,0|3,0,0]=4 532 B7R0.2 SC[C@@H](CC(C)C)N 1P028HH1 [0,1,0,0,0,0|1,1,1]=4 533 B7R0.2 [O-]C(=O)CC(=O)NC 1P028NHN [0,1,0,0,0,0|3,0,0]=4 534 B7R0.2 [O-]C(=O)CC(=O)OC 1P001XI6 [0,1,0,0,0,0|3,0,0]=4 535 B7R0.2 [O-]C(=O)CC(=O)OC 1P0035YT [0,1,0,0,0,0|3,0,0]=4 536 B7R0.2 [O-]C(=O)CC(C#N)C 1P01B8MC [0,1,0,0,0,0|2,0,1]=4 537 B7R0.2 [O-]C(=O)CC(CO)C 1P01EMTK [0,1,0,0,0,0|2,0,0]=3 538 B7R0.2 [O-]C(=O)\C=C(\CO)/C 1P02842A [0,1,0,0,0,0|2,0,1]=4 539 B7R0.2 [O-][N+](=O)CC(=O)NC 1P008REX [0,1,0,0,0,0|2,0,1]=4 540 B7R0.9 BrC(=C)C[Si](C)(C)C 1P003C2P [0,1,0,0,0,0|3,0,0]=4 541 B7R0.9 CC(=C)CS(=O)(=O)N 1P01AG08 [0,1,0,0,0,0|2,0,1]=4 542 B7R0.9 CC(=C)C[Si](C)(C)C 1P0024QB [0,1,0,0,0,0|3,0,0]=4 543 B7R0.9 CC(=O)CC(C)(C)C 1P003KWI [0,1,0,0,0,0|2,0,0]=3 544 B7R0.9 CC(=O)CC(Cl)(C)C 1P001DU3 [0,1,0,0,0,0|2,0,0]=3 545 B7R0.9 CC(=O)CC(N)(C)C 1P003L6K [0,1,0,0,0,0|2,0,0]=3 546 B7R0.9 CC(=O)CC(O)(C)C 1P000KDW [0,1,0,0,0,0|2,0,0]=3 547 B7R0.9 CC(=O)CC(S)(C)C 1P002C5Z [0,1,0,0,0,0|2,0,0]=3 548 B7R0.9 CC(=O)CS(=O)(=O)C 1P003DKB [0,1,0,0,0,0|3,0,0]=4 549 B7R0.9 CC(=O)C[N+](C)(C)C 1P01APWQ [0,1,0,0,0,0|1,0,1]=3 550 B7R0.9 CC(=O)NC(C)(C)C 1P003TTT [0,1,0,0,0,0|3,0,0]=4 551 B7R0.9 CC(=O)N[Si](C)(C)C 1P003SWG [0,1,0,0,0,0|3,0,0]=4 552 B7R0.9 CC(=O)OC(C)(C)C 1P0036K8 [0,1,0,0,0,0|3,0,0]=4 553 B7R0.9 CC(=O)O[Si](C)(C)C 1P002UHX [0,1,0,0,0,0|3,0,0]=4 554 B7R0.9 CC(CC(C)(C)C)N 1P01AV83 [0,1,0,0,0,0|2,0,1]=4 555 B7R0.9 CC(CC(N)(C)C)C 1P00J2Z6 [0,1,0,0,0,0|2,0,1]=4 556 B7R0.9 CC(CC(O)(C)C)N 1P01AUW8 [0,1,0,0,0,0|2,0,1]=4 557 B7R0.9 CC(CS(=O)(=O)Cl)C 1P0033V3 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.9 CC(CS(=O)(=O)F)C 1P01A9J5 [0,1,0,0,0,0|3,0,0]=4 559 B7R0.9 CC(CS(=O)(=O)N)C 1P01A8U7 [0,1,0,0,0,0|2,0,0]=3 560 B7R0.9 CC(CS(=O)(=O)N)O 1P01A4D8 [0,1,0,0,0,0|3,0,0]=4 561 B7R0.9 CC(CS(=O)[O-])(C)C 1P01C8UK [0,1,0,0,0,0|3,0,0]=4 562 B7R0.9 CC(NS(=O)(=O)N)C 1P01BG8V [0,1,0,0,0,0|3,0,0]=4 563 B7R0.9 CN(CC(N)(C)C)C 1P00GVAZ [0,1,0,0,0,0|1,0,1]=3 564 B7R0.9 CN(CC(N)(C)C)C 1P00J2O5 [0,1,0,0,0,0|1,0,1]=3 565 B7R0.9 CN(CC(O)(C)C)C 1P001GKE [0,1,0,0,0,0|1,0,2]=4 566 B7R0.9 CN(CC(O)(C)C)C 1P01AV9L [0,1,0,0,0,0|1,0,2]=4 567 B7R0.9 CN([CH2-][B+3]([F-])([F-])[F-])C 1P01XDG6 [0,1,0,0,0,0|3,0,0]=4 568 B7R0.9 C[C@@H](CC(C)(C)C)N 1P024HCS [0,1,0,0,0,0|2,0,1]=4 569 B7R0.9 C[C@@H](CS(=O)(=O)N)N 1P01EK7M [0,1,0,0,0,0|3,0,0]=4 570 B7R0.9 C[C@H](CC(C)(C)C)N 1P027VV2 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.9 C[C@H](CS(=O)(=O)N)N 1P01FK99 [0,1,0,0,0,0|3,0,0]=4 572 B7R0.9 ClC(=O)CC(Br)(C)C 1P01B380 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.9 ClC(=O)CC(C)(C)C 1P003IU3 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.9 ClC(=O)N=S(=O)(C)C 1P01AM5S [0,1,0,0,0,0|3,0,0]=4 575 B7R0.9 F[B-](CN(C)C)(F)F 1P000GBA [0,1,0,0,0,0|3,0,0]=4 576 B7R0.9 NC(=N)CC(C)(C)C 1P00EMEC [0,1,0,0,0,0|2,0,0]=3 577 B7R0.9 NC(=N)CC(O)(C)C 1P028JC1 [0,1,0,0,0,0|2,0,0]=3 578 B7R0.9 NC(=N)CS(=O)(=O)C 1P01A0TD [0,1,0,0,0,0|3,0,0]=4 579 B7R0.9 NC(=N)SC(C)(C)C 1P01XGC8 [0,1,0,0,0,0|3,0,0]=4 580 B7R0.9 NC(=O)CC(C)(C)C 1P00H1ZB [0,1,0,0,0,0|1,0,0]=2 581 B7R0.9 NC(=O)CC(F)(F)F 1P006XWT [0,1,0,0,0,0|3,0,0]=4 582 B7R0.9 NC(=O)CC(N)(C)C 1P019SGU [0,1,0,0,0,0|1,0,0]=2 583 B7R0.9 NC(=O)CC(N)(C)C 1P01A7J8 [0,1,0,0,0,0|1,0,0]=2 584 B7R0.9 NC(=O)CS(=O)(=O)N 1P01A6ZQ [0,1,0,0,0,0|3,0,0]=4 585 B7R0.9 NC(=O)C[N+](C)(C)C 1P001XEU [0,1,0,0,0,0|0,0,1]=2 586 B7R0.9 NC(=O)N=S(=O)(C)C 1P01CAS5 [0,1,0,0,0,0|2,0,0]=3 587 B7R0.9 NC(=O)NC(C)(C)C 1P003V2Q [0,1,0,0,0,0|2,0,0]=3 588 B7R0.9 NC(=O)OC(C)(C)C 1P00363R [0,1,0,0,0,0|2,0,0]=3 589 B7R0.9 NC(=S)CS(=O)(=O)C 1P00DCGO [0,1,0,0,0,0|2,1,0]=4 590 B7R0.9 NC(=S)N=S(=O)(C)C 1P01FL8I [0,1,0,0,0,0|2,1,0]=4 591 B7R0.9 NC(=S)NC(C)(C)C 1P003SWC [0,1,0,0,0,0|2,1,0]=4 592 B7R0.9 OC(=O)CC(Br)(C)C 1P00EPM1 [0,1,0,0,0,0|2,0,0]=3 593 B7R0.9 OC(=O)CC(C)(C)C 1P003IU4 [0,1,0,0,0,0|2,0,0]=3 594 B7R0.9 OC(=O)CC(Cl)(C)C 1P027U6R [0,1,0,0,0,0|2,0,0]=3 595 B7R0.9 OC(=O)CC(F)(C)C 1P01BUPJ [0,1,0,0,0,0|2,0,0]=3 596 B7R0.9 OC(=O)CC(F)(F)C 1P01AE6R [0,1,0,0,0,0|3,0,0]=4 597 B7R0.9 OC(=O)CC(N)(C)C 1P0037NO [0,1,0,0,0,0|2,0,0]=3 598 B7R0.9 OC(=O)CC(N)(C)C 1P003JBN [0,1,0,0,0,0|2,0,0]=3 599 B7R0.9 OC(=O)CC(N)(C)C 1P01AGEV [0,1,0,0,0,0|2,0,0]=3 600 B7R0.9 OC(=O)CC(O)(C)C 1P0039UT [0,1,0,0,0,0|2,0,0]=3 601 B7R0.9 OC(=O)CC(S)(C)C 1P00392I [0,1,0,0,0,0|2,0,0]=3 602 B7R0.9 OC(=O)CP(=O)(C)C 1P028MVP [0,1,0,0,0,0|1,1,0]=3 603 B7R0.9 OC(=O)CS(=O)(=O)C 1P002R5P [0,1,0,0,0,0|3,0,0]=4 604 B7R0.9 OC(=O)C[N+](C)(C)C 1P00IAY4 [0,1,0,0,0,0|1,0,1]=3 605 B7R0.9 OC(=O)C[Si](C)(C)C 1P002NQR [0,1,0,0,0,0|2,0,0]=3 606 B7R0.9 [O-]C(=O)CC(O)(C)C 1P003P49 [0,1,0,0,0,0|2,0,0]=3 607 B7R0.9 [O-]C(=O)C[As+](C)(C)C 1P01E6PJ [0,1,0,0,0,0|1,1,0]=3 608 B7R0.9 [O-]C(=O)C[N+](C)(C)C 1P00HBD2 [0,1,0,0,0,0|1,0,1]=3 609 B7R0.9 [O-]C(=O)C[N+](C)(C)C 1P00IAY3 [0,1,0,0,0,0|1,0,1]=3 610 B7R0.16 BrC(C(=O)Cl)C(C)C 1P00DNAU [0,1,0,0,0,0|2,0,0]=3 611 B7R0.16 BrC(C(=O)N)C(C)C 1P019PO7 [0,1,0,0,0,0|1,0,0]=2 612 B7R0.16 BrC(C(=O)O)C(C)C 1P0036DQ [0,1,0,0,0,0|2,0,0]=3 613 B7R0.16 Br[C@@H](C(=O)O)C(C)C 1P00G3NN [0,1,0,0,0,0|2,0,0]=3 614 B7R0.16 Br[C@H](C(=O)O)C(C)C 1P003CVL [0,1,0,0,0,0|2,0,0]=3 615 B7R0.16 CC(=C(C(=O)O)Br)C 1P001Q6W [0,1,0,0,0,0|2,0,1]=4 616 B7R0.16 CC(=C(C(=O)O)C)C 1P019YZ2 [0,1,0,0,0,0|2,0,1]=4 617 B7R0.16 CC(=C(C(=O)O)Cl)C 1P01QZ77 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.16 CC(=C(C(=O)O)F)C 1P01A0CN [0,1,0,0,0,0|2,0,1]=4 619 B7R0.16 CC(C(=C)C(=O)Cl)C 1P005OL8 [0,1,0,0,0,0|2,0,1]=4 620 B7R0.16 CC(C(=C)C(=O)O)C 1P00DRDO [0,1,0,0,0,0|2,0,1]=4 621 B7R0.16 CC(C(=O)C(=O)O)C 1P00347Q [0,1,0,0,0,0|2,0,1]=4 622 B7R0.16 CC(C(=O)C(=O)[O-])C 1P003URT [0,1,0,0,0,0|2,0,1]=4 623 B7R0.16 CC(C(=O)C(=O)[O-])C 1P00I9QK [0,1,0,0,0,0|2,0,1]=4 624 B7R0.16 CC(C(=O)C(=O)[O-])C 1P02841O [0,1,0,0,0,0|2,0,1]=4 625 B7R0.16 CC(C(=O)C)C(=O)C 1P003K5P [0,1,0,0,0,0|3,0,0]=4 626 B7R0.16 CC(C(=O)Cl)C(C)C 1P00DRED [0,1,0,0,0,0|2,0,0]=3 627 B7R0.16 CC(C(=O)N)C(=O)N 1P003I6E [0,1,0,0,0,0|3,0,0]=4 628 B7R0.16 CC(C(=O)N)N(C)C 1P0285J8 [0,1,0,0,0,0|0,0,0]=1 629 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [0,1,0,0,0,0|2,0,0]=3 630 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [0,1,0,0,0,0|3,0,0]=4 631 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [0,1,0,0,0,0|1,0,0]=2 632 B7R0.16 CC(C(C(=O)C)C)C 1P01HJ3E [0,1,0,0,0,0|2,0,0]=3 633 B7R0.16 CC(C(C(=O)C)S)C 1P005IKG [0,1,0,0,0,0|2,0,0]=3 634 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,1,0,0,0,0|3,0,0]=4 635 B7R0.16 CC(C(C(=O)O)F)O 1P01BGEK [0,1,0,0,0,0|3,0,0]=4 636 B7R0.16 CC(C(C(=O)O)N)O 1P01DL1Y [0,1,0,0,0,0|3,0,0]=4 637 B7R0.16 CC(C(C(=O)O)O)N 1P028U2M [0,1,0,0,0,0|3,0,0]=4 638 B7R0.16 CC(N(C(=N)N)C)C 1P01AALS [0,1,0,0,0,0|3,0,0]=4 639 B7R0.16 CC(N(C(=O)Cl)C)C 1P00D8AG [0,1,0,0,0,0|3,0,0]=4 640 B7R0.16 CN(C(=N)N(N)C)C 1P01B8X1 [0,1,0,0,0,0|2,0,1]=4 641 B7R0.16 CN(C(=O)C(=C)C)C 1P003T1Z [0,1,0,0,0,0|2,0,1]=4 642 B7R0.16 CN(C(=O)C(=O)C)C 1P00B7HD [0,1,0,0,0,0|1,0,1]=3 643 B7R0.16 CN(C(=O)C(=O)Cl)C 1P006WZM [0,1,0,0,0,0|1,0,1]=3 644 B7R0.16 CN(C(=O)C(=O)O)C 1P007J6I [0,1,0,0,0,0|1,0,1]=3 645 B7R0.16 CN(C(C(=C)C)Br)C 1P005CL9 [0,1,0,0,0,0|2,0,0]=3 646 B7R0.16 CN([C@@H]([C@@H](O)C)C)C 1P028X7D [0,1,0,0,0,0|1,0,2]=4 647 B7R0.16 CP(=O)C(C(=O)O)O 1P006ECW [0,1,0,0,0,0|2,1,0]=4 648 B7R0.16 C[C@@H](C(=O)N)N(C)C 1P02801D [0,1,0,0,0,0|0,0,0]=1 649 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [0,1,0,0,0,0|2,0,0]=3 650 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [0,1,0,0,0,0|1,0,0]=2 651 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [0,1,0,0,0,0|1,0,0]=2 652 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O 1P001J7L [0,1,0,0,0,0|3,0,0]=4 653 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O 1P00IBMP [0,1,0,0,0,0|3,0,0]=4 654 B7R0.16 C[C@@H]([C@H](C(=O)O)O)N 1P003B1L [0,1,0,0,0,0|3,0,0]=4 655 B7R0.16 C[C@H](C(=O)N)N(C)C 1P024HWJ [0,1,0,0,0,0|0,0,0]=1 656 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [0,1,0,0,0,0|2,0,0]=3 657 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [0,1,0,0,0,0|1,0,0]=2 658 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [0,1,0,0,0,0|1,0,0]=2 659 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 1P00BY9J [0,1,0,0,0,0|2,0,0]=3 660 B7R0.16 C[C@H]([C@@H](C(=O)O)N)Br 1P028AO9 [0,1,0,0,0,0|3,0,0]=4 661 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00359M [0,1,0,0,0,0|3,0,0]=4 662 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00IB51 [0,1,0,0,0,0|3,0,0]=4 663 B7R0.16 C[C@H]([C@H](C(=O)O)N)F 1P01BVN1 [0,1,0,0,0,0|3,0,0]=4 664 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 1P002Q2X [0,1,0,0,0,0|3,0,0]=4 665 B7R0.16 ClC(C(=O)C)C(=O)C 1P003442 [0,1,0,0,0,0|3,0,0]=4 666 B7R0.16 ClC(C(=O)O)C(C)C 1P019W9W [0,1,0,0,0,0|2,0,0]=3 667 B7R0.16 Cl[C@H](C(=O)O)C(C)C 1P003D1T [0,1,0,0,0,0|2,0,0]=3 668 B7R0.16 FC(C(=O)O)C(C)C 1P001Q6L [0,1,0,0,0,0|2,0,0]=3 669 B7R0.16 NC(C(=O)C)C(=O)C 1P01A8FL [0,1,0,0,0,0|3,0,0]=4 670 B7R0.16 NC(C(=O)N)C(=O)N 1P00ECTD [0,1,0,0,0,0|3,0,0]=4 671 B7R0.16 NC(C(=O)N)C(C)C 1P00IMQN [0,1,0,0,0,0|1,0,0]=2 672 B7R0.16 NC(C(=O)O)C(C)C 1P0035KT [0,1,0,0,0,0|2,0,0]=3 673 B7R0.16 N[C@@H](C(=O)N)C(C)C 1P0014U9 [0,1,0,0,0,0|1,0,0]=2 674 B7R0.16 N[C@@H](C(=O)O)C(C)C 1P0037JS [0,1,0,0,0,0|2,0,0]=3 675 B7R0.16 N[C@H](C(=O)N)C(C)C 1P00I645 [0,1,0,0,0,0|1,0,0]=2 676 B7R0.16 N[C@H](C(=O)O)C(C)C 1P00I9OW [0,1,0,0,0,0|2,0,0]=3 677 B7R0.16 N[C@H](C(=O)O)[C@@H](N)C 1P028L4U [0,1,0,0,0,0|3,0,0]=4 678 B7R0.16 N[C@H](C(=O)O)[C@H](N)C 1P00C212 [0,1,0,0,0,0|3,0,0]=4 679 B7R0.16 O=C(N(C)C)C(N)C 1P009E8P [0,1,0,0,0,0|1,0,2]=4 680 B7R0.16 O=C(N(C)C)C(N)C 1P00J2IR [0,1,0,0,0,0|1,0,2]=4 681 B7R0.16 O=C(N(C)C)[C@@H](N)C 1P019FMT [0,1,0,0,0,0|1,0,2]=4 682 B7R0.16 OC(C(=O)O)C(C)C 1P003HUP [0,1,0,0,0,0|2,0,0]=3 683 B7R0.16 OC(C(N)C)C(C)C 1P028MW5 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.16 OC(C(N)C)C(C)C 1P028N5B [0,1,0,0,0,0|2,0,1]=4 685 B7R0.16 O[C@@H](C(=O)O)C(C)C 1P001ZWR [0,1,0,0,0,0|2,0,0]=3 686 B7R0.16 O[C@H](C(=O)O)C(C)C 1P007V6T [0,1,0,0,0,0|2,0,0]=3 687 B7R0.16 SC(C(=O)O)C(C)C 1P0019CW [0,1,0,0,0,0|2,0,0]=3 688 B7R0.16 [15NH2][13C@H]([13C](=O)O)[13CH]([13CH3])[13CH3] 1P00C25L [0,1,0,0,0,0|2,0,0]=3 689 B7R1.2 CC1=CC(=O)CC1 1P002ULZ [0,0,0,1,0,0|2,0,1]=4 690 B7R1.2 CC1=CC(=O)OC1 1P003M8M [0,0,0,1,0,0|2,0,1]=4 691 B7R1.2 CC1=NN=C(C1)N 1P0008X3 [0,0,0,1,0,0|3,0,0]=4 692 B7R1.2 CC1CC(=NC1)N 1P0286PE [0,0,0,1,0,0|2,0,0]=3 693 B7R1.2 CC1CC(=NO1)N 1P01A3QV [0,0,0,1,0,0|3,0,0]=4 694 B7R1.2 CC1CC(=O)CN1 1P021X75 [0,0,0,1,0,0|3,0,0]=4 695 B7R1.2 CC1CC(=O)CS1 1P019UCN [0,0,0,1,0,0|3,0,0]=4 696 B7R1.2 CC1CC(=O)NC1 1P0039AR [0,0,0,1,0,0|1,0,0]=2 697 B7R1.2 CC1CC(=O)OC1 1P00ARBT [0,0,0,1,0,0|2,0,0]=3 698 B7R1.2 CC1CCC(=O)C1 1P0021LM [0,0,0,1,0,0|2,0,0]=3 699 B7R1.2 CC1CCC(=O)N1 1P0034RL [0,0,0,1,0,0|3,0,0]=4 700 B7R1.2 CC1CCC(=O)O1 1P0035FE [0,0,0,1,0,0|3,0,0]=4 701 B7R1.2 CC1CCC(C1)N 1P01A0I3 [0,0,0,1,0,0|2,0,1]=4 702 B7R1.2 CC1CN=C(N1)N 1P01A68X [0,0,0,1,0,0|3,0,0]=4 703 B7R1.2 CC1CN=C(O1)N 1P00G05Q [0,0,0,1,0,0|3,0,0]=4 704 B7R1.2 CC1CN=C(S1)N 1P01B9BS [0,0,0,1,0,0|3,0,0]=4 705 B7R1.2 CC1CNC(=O)O1 1P007BAB [0,0,0,1,0,0|2,0,0]=3 706 B7R1.2 CC1CNC(=S)N1 1P003M8Q [0,0,0,1,0,0|2,1,0]=4 707 B7R1.2 CC1COC(=N1)N 1P00G05P [0,0,0,1,0,0|2,0,1]=4 708 B7R1.2 CC1COC(=O)N1 1P001SNQ [0,0,0,1,0,0|3,0,0]=4 709 B7R1.2 CC1COC(=O)O1 1P0035ZW [0,0,0,1,0,0|3,0,0]=4 710 B7R1.2 CC1NCC(C1)C 1P01AKTE [0,0,0,1,0,0|2,0,1]=4 711 B7R1.2 CC1NNC(=O)C1 1P008YFX [0,0,0,1,0,0|2,0,0]=3 712 B7R1.2 CN1CCC(=N1)N 1P01A4KY [0,0,0,1,0,0|2,0,0]=3 713 B7R1.2 CN1CCC(=O)C1 1P00G7GN [0,0,0,1,0,0|1,0,0]=2 714 B7R1.2 CN1CCC(=O)C1 1P00IC9G [0,0,0,1,0,0|1,0,0]=2 715 B7R1.2 CN1CCC(=O)N1 1P0007PB [0,0,0,1,0,0|2,0,0]=3 716 B7R1.2 CN1CCC(C1)Br 1P0084Y7 [0,0,0,1,0,0|2,0,1]=4 717 B7R1.2 CN1CCC(C1)N 1P0010TK [0,0,0,1,0,0|1,0,1]=3 718 B7R1.2 CN1CCC(C1)N 1P00938I [0,0,0,1,0,0|1,0,1]=3 719 B7R1.2 CN1CCC(C1)O 1P0010TJ [0,0,0,1,0,0|1,0,2]=4 720 B7R1.2 CN1CC[C@@H](C1)N 1P003A5O [0,0,0,1,0,0|1,0,1]=3 721 B7R1.2 CN1CC[C@@H](C1)N 1P00IF1U [0,0,0,1,0,0|1,0,1]=3 722 B7R1.2 CN1CC[C@@H](C1)O 1P0032WL [0,0,0,1,0,0|1,0,2]=4 723 B7R1.2 CN1CC[C@H](C1)N 1P003AMQ [0,0,0,1,0,0|1,0,1]=3 724 B7R1.2 CN1CC[C@H](C1)N 1P00D7X3 [0,0,0,1,0,0|1,0,1]=3 725 B7R1.2 CN1CC[C@H](C1)O 1P0039GS [0,0,0,1,0,0|1,0,2]=4 726 B7R1.2 C[C@@H]1CC(=O)CN1 1P024WZB [0,0,0,1,0,0|3,0,0]=4 727 B7R1.2 C[C@@H]1CC(=O)CN1 1P028JFG [0,0,0,1,0,0|3,0,0]=4 728 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [0,0,0,1,0,0|1,0,0]=2 729 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [0,0,0,1,0,0|2,0,0]=3 730 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [0,0,0,1,0,0|3,0,0]=4 731 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [0,0,0,1,0,0|3,0,0]=4 732 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [0,0,0,1,0,0|2,0,0]=3 733 B7R1.2 C[C@@H]1COC(=O)N1 1P0073E0 [0,0,0,1,0,0|3,0,0]=4 734 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [0,0,0,1,0,0|3,0,0]=4 735 B7R1.2 C[C@H]1CC(=O)CN1 1P024HQB [0,0,0,1,0,0|3,0,0]=4 736 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [0,0,0,1,0,0|1,0,0]=2 737 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [0,0,0,1,0,0|2,0,0]=3 738 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [0,0,0,1,0,0|2,0,0]=3 739 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [0,0,0,1,0,0|3,0,0]=4 740 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [0,0,0,1,0,0|3,0,0]=4 741 B7R1.2 C[C@H]1COC(=O)N1 1P00BYK8 [0,0,0,1,0,0|3,0,0]=4 742 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [0,0,0,1,0,0|3,0,0]=4 743 B7R1.2 Cc1[nH][nH]c(=O)c1 1P0011IO [0,0,0,1,0,0|2,0,1]=4 744 B7R1.2 Cc1c[nH]c(=O)[nH]1 1P000ITB [0,0,0,1,0,0|2,0,1]=4 745 B7R1.2 Cc1c[nH]c(=O)s1 1P005LJG [0,0,0,1,0,0|2,0,1]=4 746 B7R1.2 Cc1cc(=O)[nH]o1 1P00013U [0,0,0,1,0,0|2,0,1]=4 747 B7R1.2 Cc1n[nH]c(=O)o1 1P00385H [0,0,0,1,0,0|3,0,0]=4 748 B7R1.2 Cc1n[nH]c(=O)s1 1P008IX1 [0,0,0,1,0,0|3,0,0]=4 749 B7R1.2 Cn1cc(cn1)N 1P000X5K [0,0,0,1,0,0|2,0,1]=4 750 B7R1.2 Cn1cc(cn1)N 1P003L4D [0,0,0,1,0,0|2,0,1]=4 751 B7R1.2 Cn1cc(nc1)N 1P0036FQ [0,0,0,1,0,0|1,0,2]=4 752 B7R1.2 Cn1ccc(=O)[nH]1 1P00DIE4 [0,0,0,1,0,0|2,0,1]=4 753 B7R1.2 Cn1ccc(c1)N 1P000JBD [0,0,0,1,0,0|1,0,2]=4 754 B7R1.2 Cn1ccc(n1)N 1P002F0L [0,0,0,1,0,0|2,0,1]=4 755 B7R1.2 Cn1cnc(=O)[nH]1 1P01B1NL [0,0,0,1,0,0|1,0,2]=4 756 B7R1.2 Cn1cnc(n1)N 1P00DD98 [0,0,0,1,0,0|2,0,1]=4 757 B7R1.2 Cn1cnc(n1)N 1P00J1G0 [0,0,0,1,0,0|2,0,1]=4 758 B7R1.2 Cn1nc(cn1)N 1P00GWBG [0,0,0,1,0,0|3,0,0]=4 759 B7R1.2 Cn1nc(cn1)N 1P00J1MZ [0,0,0,1,0,0|3,0,0]=4 760 B7R1.2 Cn1nnc(c1)N 1P0060JQ [0,0,0,1,0,0|2,0,1]=4 761 B7R1.2 Cn1nnc(c1)N 1P00GYH3 [0,0,0,1,0,0|2,0,1]=4 762 B7R1.2 Cn1nnc(n1)N 1P0039OV [0,0,0,1,0,0|3,0,0]=4 763 B7R1.2 NC1=NC(=O)NC1 1P01A4K9 [0,0,0,1,0,0|3,0,0]=4 764 B7R1.2 NC1CC(=O)NC1 1P003AG1 [0,0,0,1,0,0|2,0,0]=3 765 B7R1.2 NC1CC(=O)NC1 1P00H05Z [0,0,0,1,0,0|2,0,0]=3 766 B7R1.2 NC1CC(=O)OC1 1P00A9OT [0,0,0,1,0,0|3,0,0]=4 767 B7R1.2 N[C@@H]1CC(=O)NC1 1P0026U9 [0,0,0,1,0,0|2,0,0]=3 768 B7R1.2 N[C@@H]1CC(=O)OC1 1P000I8A [0,0,0,1,0,0|3,0,0]=4 769 B7R1.2 N[C@H]1CC(=O)NC1 1P00IL5T [0,0,0,1,0,0|2,0,0]=3 770 B7R1.2 N[C@H]1CC(=O)OC1 1P000I8B [0,0,0,1,0,0|3,0,0]=4 771 B7R1.2 Nc1cnn(c1)C 1P003EXV [0,0,0,1,0,0|2,0,1]=4 772 B7R1.2 Nc1ncn(c1)C 1P0013KD [0,0,0,1,0,0|1,0,2]=4 773 B7R1.2 O=C1CCC(=O)C1 1P003322 [0,0,0,1,0,0|3,0,0]=4 774 B7R1.2 O=C1NCC(=O)C1 1P00C7BV [0,0,0,1,0,0|2,0,0]=3 775 B7R1.2 O=C1NCC(=O)N1 1P003RF2 [0,0,0,1,0,0|3,0,0]=4 776 B7R1.2 O=C1NCC(=O)O1 1P003TZB [0,0,0,1,0,0|3,0,0]=4 777 B7R1.2 O=C1NCC(=S)N1 1P001U7X [0,0,0,1,0,0|3,0,0]=4 778 B7R1.2 O=C1NN=C(C1)C 1P003K70 [0,0,0,1,0,0|2,0,0]=3 779 B7R1.2 O=C1NN=C(C1)N 1P003JD7 [0,0,0,1,0,0|3,0,0]=4 780 B7R1.2 O=C1NNC(=O)C1 1P00DL5J [0,0,0,1,0,0|3,0,0]=4 781 B7R1.2 O=C1OCC(=O)C1 1P003V89 [0,0,0,1,0,0|3,0,0]=4 782 B7R1.2 OC1=CC(=O)NC1 1P00DCWO [0,0,0,1,0,0|2,0,1]=4 783 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [0,0,0,1,0,0|2,0,0]=3 784 B7R1.2 OC1CC(=O)OC1 1P003BUD [0,0,0,1,0,0|3,0,0]=4 785 B7R1.2 OC1CCC(=O)C1 1P0038LJ [0,0,0,1,0,0|3,0,0]=4 786 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [0,0,0,1,0,0|2,0,0]=3 787 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [0,0,0,1,0,0|3,0,0]=4 788 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [0,0,0,1,0,0|2,0,0]=3 789 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [0,0,0,1,0,0|3,0,0]=4 790 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1P0286F6 [0,0,0,1,0,0|3,0,0]=4 791 B7R1.12 CC(C1CC1C)N 1P01C3S8 [0,0,0,1,0,0|2,0,1]=4 792 B7R1.12 CC([C@@H]1C[C@H]1N)C 1P01C329 [0,0,0,1,0,0|2,0,1]=4 793 B7R1.12 CC1=CC1C(=O)O 1P01A35R [0,0,0,1,0,0|2,0,1]=4 794 B7R1.12 CC1CC1C(=O)C 1P01ALPC [0,0,0,1,0,0|2,0,0]=3 795 B7R1.12 CC1CC1C(=O)Cl 1P00EII7 [0,0,0,1,0,0|2,0,0]=3 796 B7R1.12 CC1CC1C(=O)N 1P00GA8W [0,0,0,1,0,0|1,0,0]=2 797 B7R1.12 CC1CC1C(=O)O 1P002Z71 [0,0,0,1,0,0|2,0,0]=3 798 B7R1.12 CC1CC1C(=O)O 1P00EK9C [0,0,0,1,0,0|2,0,0]=3 799 B7R1.12 C[C@@H]1C[C@@H]1C(=O)C 1P028NP2 [0,0,0,1,0,0|2,0,0]=3 800 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [0,0,0,1,0,0|2,0,0]=3 801 B7R1.12 C[C@@H]1C[C@H]1C(=N)N 1P028CG9 [0,0,0,1,0,0|2,0,0]=3 802 B7R1.12 C[C@@H]1C[C@H]1C(=O)C 1P028MO8 [0,0,0,1,0,0|2,0,0]=3 803 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [0,0,0,1,0,0|2,0,0]=3 804 B7R1.12 C[C@@H]1O[C@H]1C(=O)O 1P01B6TE [0,0,0,1,0,0|3,0,0]=4 805 B7R1.12 C[C@H]1C[C@@H]1C(=O)C 1P028O3I [0,0,0,1,0,0|2,0,0]=3 806 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [0,0,0,1,0,0|2,0,0]=3 807 B7R1.12 C[C@H]1C[C@H]1C(=O)C 1P028FLW [0,0,0,1,0,0|2,0,0]=3 808 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [0,0,0,1,0,0|2,0,0]=3 809 B7R1.12 F[C@H]1C[C@@H]1C(=O)O 1P009DKG [0,0,0,1,0,0|3,0,0]=4 810 B7R1.12 F[C@H]1C[C@H]1C(=O)O 1P00HB72 [0,0,0,1,0,0|3,0,0]=4 811 B7R1.12 NC(=O)[C@H]1C[C@H]1F 1P000PAK [0,0,0,1,0,0|2,0,0]=3 812 B7R1.12 OC(=O)C1CC1=C 1P01AELS [0,0,0,1,0,0|2,0,1]=4 813 B7R1.12 OC(=O)C1CC1F 1P001PI5 [0,0,0,1,0,0|3,0,0]=4 814 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F 1P000X7B [0,0,0,1,0,0|3,0,0]=4 815 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I 1P01JUSO [0,0,0,1,0,0|3,0,0]=4 816 B7R1.12 OC(=O)[C@@H]1C[C@H]1Cl 1P028JBO [0,0,0,1,0,0|3,0,0]=4 817 B7R1.12 OC(=O)[C@@H]1C[C@H]1F 1P001XKM [0,0,0,1,0,0|3,0,0]=4 818 B7R1.12 OC(=O)[C@H]1C[C@@H]1Br 1P028QME [0,0,0,1,0,0|3,0,0]=4 819 B7R1.12 OC(=O)[C@H]1C[C@@H]1F 1P001XKL [0,0,0,1,0,0|3,0,0]=4 820 B7R1.12 OC(=O)[C@H]1C[C@H]1F 1P000X7C [0,0,0,1,0,0|3,0,0]=4 821 B7R1.12 OC(=O)[C@H]1C[C@H]1I 1P00182G [0,0,0,1,0,0|3,0,0]=4 822 B7R1.16 CC1CC(C1)(C)N 1P01FJY5 [0,0,0,1,0,0|2,0,1]=4 823 B7R1.16 CC1CC(N1)(C)C 1P019WOU [0,0,0,1,0,0|2,0,1]=4 824 B7R1.16 CC1CC(N1)(C)C 1P01A7UJ [0,0,0,1,0,0|2,0,1]=4 825 B7R1.16 CN1CC(C1)(C)N 1P01BF7C [0,0,0,1,0,0|1,0,1]=3 826 B7R1.16 CN1CC(C1)(C)N 1P01DZFC [0,0,0,1,0,0|1,0,1]=3 827 B7R1.16 CN1CC(C1)(C)O 1P01FICA [0,0,0,1,0,0|1,0,2]=4 828 B7R1.16 NC1CC(C1)(C)C 1P000YJ3 [0,0,0,1,0,0|2,0,1]=4 829 B7R1.16 O=C1CC(C1)(C)C 1P000ITC [0,0,0,1,0,0|2,0,0]=3 830 B7R1.16 O=C1CC(C1)(C)N 1P00ILOR [0,0,0,1,0,0|3,0,0]=4 831 B7R1.16 O=C1CC(N1)(C)C 1P00DP7Y [0,0,0,1,0,0|1,0,0]=2 832 B7R1.20 CC(=C)CC1CC1 1P01BSO5 [0,0,0,1,0,0|3,0,0]=4 833 B7R1.20 CC(=O)CC1CC1 1P0037WP [0,0,0,1,0,0|2,0,0]=3 834 B7R1.20 CC(CC1CC1)N 1P01AICW [0,0,0,1,0,0|2,0,1]=4 835 B7R1.20 CC(CC1CC1)N 1P01DTDX [0,0,0,1,0,0|2,0,1]=4 836 B7R1.20 C[C@@H](CC1CC1)N 1P024H49 [0,0,0,1,0,0|2,0,1]=4 837 B7R1.20 C[C@H](CC1CC1)N 1P01FJY6 [0,0,0,1,0,0|2,0,1]=4 838 B7R1.20 ClC(=O)CC1CC1 1P00DCW4 [0,0,0,1,0,0|2,0,0]=3 839 B7R1.20 ClC(=O)NC1CC1 1P01DX1E [0,0,0,1,0,0|3,0,0]=4 840 B7R1.20 ClC(=O)OC1CC1 1P00E2V3 [0,0,0,1,0,0|3,0,0]=4 841 B7R1.20 NC(=N)CC1CC1 1P00C44K [0,0,0,1,0,0|2,0,0]=3 842 B7R1.20 NC(=N)NC1CC1 1P00J2IZ [0,0,0,1,0,0|3,0,0]=4 843 B7R1.20 NC(=N)NC1CC1 1P00J3H9 [0,0,0,1,0,0|3,0,0]=4 844 B7R1.20 NC(=NC1CC1)N 1P01AJSY [0,0,0,1,0,0|3,0,0]=4 845 B7R1.20 NC(=O)CC1CC1 1P0086XZ [0,0,0,1,0,0|1,0,0]=2 846 B7R1.20 NC(=O)NC1CC1 1P002BDF [0,0,0,1,0,0|2,0,0]=3 847 B7R1.20 NC(=S)CC1CC1 1P01A6VF [0,0,0,1,0,0|1,1,0]=3 848 B7R1.20 NC(=S)NC1CC1 1P00EBWY [0,0,0,1,0,0|2,1,0]=4 849 B7R1.20 OC(=O)C=C1CC1 1P00F046 [0,0,0,1,0,0|2,0,1]=4 850 B7R1.20 OC(=O)CC1CC1 1P00395B [0,0,0,1,0,0|2,0,0]=3 851 B7R1.20 OC(=O)CC1CO1 1P01DYAP [0,0,0,1,0,0|3,0,0]=4 852 B7R1.20 [O-]S(=O)CC1CC1 1P01C8RA [0,0,0,1,0,0|3,0,0]=4 853 B7R1.20 [O-][N+](=O)CC1CC1 1P028ITG [0,0,0,1,0,0|3,0,0]=4 854 B7R1.32 CC1(N)CC1(C)C 1P01B703 [0,0,0,1,0,0|2,0,1]=4 855 B5R0.5 BrC(=C)C(=O)N 1P00ICIE [0,0,0,0,1,0|2,0,1]=4 856 B5R0.5 BrC(=O)C(Br)C 1P003H9L [0,0,0,0,1,0|3,0,0]=4 857 B5R0.5 CC(=C(C)C)Br 1P003H3O [0,0,0,0,1,0|3,0,0]=4 858 B5R0.5 CC(=C(C)C)C 1P003656 [0,0,0,0,1,0|3,0,0]=4 859 B5R0.5 CC(=C)C(=O)N 1P003RY9 [0,0,0,0,1,0|1,0,1]=3 860 B5R0.5 CC(=C)C(=O)O 1P0036XE [0,0,0,0,1,0|2,0,1]=4 861 B5R0.5 CC(=C)C(=O)[O-] 1P0010CG [0,0,0,0,1,0|2,0,1]=4 862 B5R0.5 CC(=C)C(=O)[O-] 1P00111N [0,0,0,0,1,0|2,0,1]=4 863 B5R0.5 CC(=C)C(=O)[O-] 1P001Y9T [0,0,0,0,1,0|2,0,1]=4 864 B5R0.5 CC(=C)C(=O)[O-] 1P003UTP [0,0,0,0,1,0|2,0,1]=4 865 B5R0.5 CC(=C)C(=O)[O-] 1P005QHJ [0,0,0,0,1,0|2,0,1]=4 866 B5R0.5 CC(=C)C(=O)[O-] 1P005ZNF [0,0,0,0,1,0|2,0,1]=4 867 B5R0.5 CC(=C)C(C)C 1P003G0F [0,0,0,0,1,0|3,0,0]=4 868 B5R0.5 CC(=N)N(C)C 1P01A0N1 [0,0,0,0,1,0|1,0,1]=3 869 B5R0.5 CC(=O)C(=C)C 1P003K68 [0,0,0,0,1,0|2,0,1]=4 870 B5R0.5 CC(=O)C(=O)[O-] 1P002Y88 [0,0,0,0,1,0|3,0,0]=4 871 B5R0.5 CC(=O)C(=O)[O-] 1P003P54 [0,0,0,0,1,0|3,0,0]=4 872 B5R0.5 CC(=O)C(=O)[O-] 1P003UJW [0,0,0,0,1,0|3,0,0]=4 873 B5R0.5 CC(=O)C(=S)N 1P01A3YH [0,0,0,0,1,0|2,1,0]=4 874 B5R0.5 CC(=O)C(Br)C 1P003JKY [0,0,0,0,1,0|3,0,0]=4 875 B5R0.5 CC(=O)C(C)C 1P0037OJ [0,0,0,0,1,0|2,0,0]=3 876 B5R0.5 CC(=O)C(Cl)C 1P003ECT [0,0,0,0,1,0|3,0,0]=4 877 B5R0.5 CC(=O)C(O)C 1P00DMTO [0,0,0,0,1,0|3,0,0]=4 878 B5R0.5 CC(=O)C(S)C 1P00BXSU [0,0,0,0,1,0|3,0,0]=4 879 B5R0.5 CC(=O)N(C)C 1P000WZ3 [0,0,0,0,1,0|1,0,0]=2 880 B5R0.5 CC(=O)N(N)C 1P01B894 [0,0,0,0,1,0|2,0,0]=3 881 B5R0.5 CC(=O)N(O)C 1P000W3Q [0,0,0,0,1,0|2,0,0]=3 882 B5R0.5 CC(=O)[C@@H](N)C 1P00IA8G [0,0,0,0,1,0|3,0,0]=4 883 B5R0.5 CC(=O)[NH+](C)C 1P003OS1 [0,0,0,0,1,0|1,0,1]=3 884 B5R0.5 CC(=S)N(C)C 1P003T2C [0,0,0,0,1,0|1,1,0]=3 885 B5R0.5 CC(C(=N)N)C 1P00BDNQ [0,0,0,0,1,0|2,0,0]=3 886 B5R0.5 CC(C(=N)N)Cl 1P018SQA [0,0,0,0,1,0|3,0,0]=4 887 B5R0.5 CC(C(=N)N)O 1P00H5D2 [0,0,0,0,1,0|3,0,0]=4 888 B5R0.5 CC(C(=N)N)O 1P00J38B [0,0,0,0,1,0|3,0,0]=4 889 B5R0.5 CC(C(=O)Br)C 1P003RK5 [0,0,0,0,1,0|2,0,0]=3 890 B5R0.5 CC(C(=O)Cl)Br 1P003BND [0,0,0,0,1,0|3,0,0]=4 891 B5R0.5 CC(C(=O)Cl)C 1P003RK6 [0,0,0,0,1,0|2,0,0]=3 892 B5R0.5 CC(C(=O)N)Br 1P003H9I [0,0,0,0,1,0|2,0,0]=3 893 B5R0.5 CC(C(=O)N)C 1P003RJZ [0,0,0,0,1,0|1,0,0]=2 894 B5R0.5 CC(C(=O)N)Cl 1P002V9S [0,0,0,0,1,0|2,0,0]=3 895 B5R0.5 CC(C(=O)N)I 1P002G87 [0,0,0,0,1,0|2,0,0]=3 896 B5R0.5 CC(C(=O)N)O 1P0029VL [0,0,0,0,1,0|2,0,0]=3 897 B5R0.5 CC(C(=O)O)Br 1P003H9J [0,0,0,0,1,0|3,0,0]=4 898 B5R0.5 CC(C(=O)O)C 1P003729 [0,0,0,0,1,0|2,0,0]=3 899 B5R0.5 CC(C(=O)O)C 1P01D9JB [0,0,0,0,1,0|2,0,0]=3 900 B5R0.5 CC(C(=O)O)F 1P0032QG [0,0,0,0,1,0|3,0,0]=4 901 B5R0.5 CC(C(=O)O)N 1P01ELSY [0,0,0,0,1,0|3,0,0]=4 902 B5R0.5 CC(C(=O)S)C 1P00E3N5 [0,0,0,0,1,0|2,0,0]=3 903 B5R0.5 CC(C(=O)[O-])C 1P002R83 [0,0,0,0,1,0|2,0,0]=3 904 B5R0.5 CC(C(=O)[O-])C 1P003RK3 [0,0,0,0,1,0|2,0,0]=3 905 B5R0.5 CC(C(=O)[O-])O 1P001SCZ [0,0,0,0,1,0|3,0,0]=4 906 B5R0.5 CC(C(=O)[O-])O 1P002IGC [0,0,0,0,1,0|3,0,0]=4 907 B5R0.5 CC(C(=O)[O-])O 1P002IGD [0,0,0,0,1,0|3,0,0]=4 908 B5R0.5 CC(C(=O)[O-])O 1P003P4S [0,0,0,0,1,0|3,0,0]=4 909 B5R0.5 CC(C(=O)[O-])O 1P00IAYP [0,0,0,0,1,0|3,0,0]=4 910 B5R0.5 CC(C(=O)[O-])O 1P01KKX9 [0,0,0,0,1,0|3,0,0]=4 911 B5R0.5 CC(C(=S)N)C 1P0033V4 [0,0,0,0,1,0|1,1,0]=3 912 B5R0.5 CC(C(=S)N)O 1P028CIM [0,0,0,0,1,0|2,1,0]=4 913 B5R0.5 CC(C(C)C)N 1P003DVC [0,0,0,0,1,0|2,0,1]=4 914 B5R0.5 CC(N(=O)=O)C 1P003I9T [0,0,0,0,1,0|3,0,0]=4 915 B5R0.5 CC(S(=O)Cl)C 1P00CMZT [0,0,0,0,1,0|3,0,0]=4 916 B5R0.5 CC(S(=O)N)C 1P01BFW0 [0,0,0,0,1,0|2,0,0]=3 917 B5R0.5 CC(S(=O)[O-])C 1P00C6Z1 [0,0,0,0,1,0|3,0,0]=4 918 B5R0.5 CN(C(=N)N)C 1P00BRW7 [0,0,0,0,1,0|1,0,0]=2 919 B5R0.5 CN(C(=N)N)C 1P00E994 [0,0,0,0,1,0|1,0,0]=2 920 B5R0.5 CN(C(=N)N)C 1P00E9AV [0,0,0,0,1,0|1,0,0]=2 921 B5R0.5 CN(C(=O)Cl)C 1P003Q3S [0,0,0,0,1,0|1,0,0]=2 922 B5R0.5 CN(C(=O)N)C 1P0032OO [0,0,0,0,1,0|0,0,0]=1 923 B5R0.5 CN(C(=O)O)C 1P003Q0Z [0,0,0,0,1,0|1,0,0]=2 924 B5R0.5 CN(C(=S)Cl)C 1P007C88 [0,0,0,0,1,0|1,1,0]=3 925 B5R0.5 CN(C(=S)N)C 1P00371O [0,0,0,0,1,0|0,1,0]=2 926 B5R0.5 CN(C(=S)S)C 1P003Q3W [0,0,0,0,1,0|1,1,0]=3 927 B5R0.5 CN(C(=S)[S-])C 1P000Y4S [0,0,0,0,1,0|1,1,0]=3 928 B5R0.5 CN(C(=S)[S-])C 1P002JDK [0,0,0,0,1,0|1,1,0]=3 929 B5R0.5 CN(C(=S)[S-])C 1P00811L [0,0,0,0,1,0|1,1,0]=3 930 B5R0.5 CN(C(C)C)C 1P003T1Y [0,0,0,0,1,0|2,0,1]=4 931 B5R0.5 CN(P(Cl)Cl)C 1P003Q48 [0,0,0,0,1,0|3,0,0]=4 932 B5R0.5 CP(=O)C(C)C 1P02886T [0,0,0,0,1,0|3,0,0]=4 933 B5R0.5 C[C@@H](C(=N)N)O 1P009I1C [0,0,0,0,1,0|3,0,0]=4 934 B5R0.5 C[C@@H](C(=O)N)O 1P003CUT [0,0,0,0,1,0|2,0,0]=3 935 B5R0.5 C[C@@H](C(=O)O)Br 1P003CU9 [0,0,0,0,1,0|3,0,0]=4 936 B5R0.5 C[C@@H](C(=O)O)Cl 1P002ZDF [0,0,0,0,1,0|3,0,0]=4 937 B5R0.5 C[C@@H](C(=O)O)F 1P00F1Z5 [0,0,0,0,1,0|3,0,0]=4 938 B5R0.5 C[C@@H](C(=O)O)N 1P003RNW [0,0,0,0,1,0|3,0,0]=4 939 B5R0.5 C[C@@H](C(=O)O)N 1P00E9HQ [0,0,0,0,1,0|3,0,0]=4 940 B5R0.5 C[C@@H](C(C)C)N 1P00J87H [0,0,0,0,1,0|2,0,1]=4 941 B5R0.5 C[C@H](C(=N)N)O 1P00CJEK [0,0,0,0,1,0|3,0,0]=4 942 B5R0.5 C[C@H](C(=O)N)O 1P003CML [0,0,0,0,1,0|2,0,0]=3 943 B5R0.5 C[C@H](C(=O)O)Br 1P0001CR [0,0,0,0,1,0|3,0,0]=4 944 B5R0.5 C[C@H](C(=O)O)Cl 1P003BFE [0,0,0,0,1,0|3,0,0]=4 945 B5R0.5 C[C@H](C(=O)O)N 1P003559 [0,0,0,0,1,0|3,0,0]=4 946 B5R0.5 C[C@H](C(=O)O)S 1P007HM9 [0,0,0,0,1,0|3,0,0]=4 947 B5R0.5 C[C@H](C(C)C)N 1P01DH3B [0,0,0,0,1,0|2,0,1]=4 948 B5R0.5 C[N+](=C(N)N)N 1P01BFXM [0,0,0,0,1,0|2,0,1]=4 949 B5R0.5 ClC(=O)C(=O)C 1P00EL7R [0,0,0,0,1,0|3,0,0]=4 950 B5R0.5 ClC(=O)C(Cl)C 1P003BO8 [0,0,0,0,1,0|3,0,0]=4 951 B5R0.5 ClC(=O)[C@@H](Cl)C 1P01BY6S [0,0,0,0,1,0|3,0,0]=4 952 B5R0.5 ClC(=O)[C@H](Cl)C 1P006CQL [0,0,0,0,1,0|3,0,0]=4 953 B5R0.5 ClC(C(=O)N)Cl 1P003PTZ [0,0,0,0,1,0|3,0,0]=4 954 B5R0.5 FC(C(=O)N)F 1P00C7PN [0,0,0,0,1,0|3,0,0]=4 955 B5R0.5 NC(=N)C(N)C 1P028QKH [0,0,0,0,1,0|3,0,0]=4 956 B5R0.5 NC(=O)C(=O)C 1P00F3KY [0,0,0,0,1,0|2,0,0]=3 957 B5R0.5 NC(=O)C(=O)N 1P0035WJ [0,0,0,0,1,0|3,0,0]=4 958 B5R0.5 NC(=O)C(=O)[O-] 1P002LS9 [0,0,0,0,1,0|3,0,0]=4 959 B5R0.5 NC(=O)C(=O)[O-] 1P003TZ9 [0,0,0,0,1,0|3,0,0]=4 960 B5R0.5 NC(=O)C(Br)Cl 1P01IDGP [0,0,0,0,1,0|3,0,0]=4 961 B5R0.5 NC(=O)C(Br)F 1P00C8R4 [0,0,0,0,1,0|3,0,0]=4 962 B5R0.5 NC(=O)C(N)C 1P003H0J [0,0,0,0,1,0|2,0,0]=3 963 B5R0.5 NC(=O)C(N)C 1P003H0K [0,0,0,0,1,0|2,0,0]=3 964 B5R0.5 NC(=O)N(N)C 1P00I4XN [0,0,0,0,1,0|1,0,0]=2 965 B5R0.5 NC(=O)[C@@H](N)C 1P0006VF [0,0,0,0,1,0|2,0,0]=3 966 B5R0.5 NC(=O)[C@@H](N)C 1P0036JB [0,0,0,0,1,0|2,0,0]=3 967 B5R0.5 NC(=O)[C@@H](N)C 1P00ICUD [0,0,0,0,1,0|2,0,0]=3 968 B5R0.5 NC(=O)[C@H](N)C 1P00382K [0,0,0,0,1,0|2,0,0]=3 969 B5R0.5 NC(=O)[C@H](N)C 1P003C4R [0,0,0,0,1,0|2,0,0]=3 970 B5R0.5 NC(=S)C(N)C 1P01C5RS [0,0,0,0,1,0|2,1,0]=4 971 B5R0.5 NC(=S)N(N)C 1P003I3K [0,0,0,0,1,0|1,1,0]=3 972 B5R0.5 OC(=O)C(=O)C 1P000WZ4 [0,0,0,0,1,0|3,0,0]=4 973 B5R0.5 OC(=O)C(=O)C 1P00I8KL [0,0,0,0,1,0|3,0,0]=4 974 B5R0.5 OC(=O)C(=O)N 1P007228 [0,0,0,0,1,0|3,0,0]=4 975 B5R0.5 OC(=O)C(O)C 1P00388A [0,0,0,0,1,0|3,0,0]=4 976 B5R0.5 OC(=O)C(O)C 1P003P5C [0,0,0,0,1,0|3,0,0]=4 977 B5R0.5 OC(=O)[C@@H](O)C 1P003AT9 [0,0,0,0,1,0|3,0,0]=4 978 B5R0.5 OC(=O)[C@H](O)C 1P003PO7 [0,0,0,0,1,0|3,0,0]=4 979 B5R0.5 [O-]C(=O)C(O)C 1P005SQF [0,0,0,0,1,0|3,0,0]=4 980 B5R0.5 [O-]C(=O)C(O)C 1P0069SJ [0,0,0,0,1,0|3,0,0]=4 981 B5R0.5 [O-]C(=O)C(O)C 1P008FOG [0,0,0,0,1,0|3,0,0]=4 982 B5R0.5 [O-]C(=O)[C@@H](O)C 1P002VDW [0,0,0,0,1,0|3,0,0]=4 983 B5R0.5 [O-]C(=O)[C@@H](O)C 1P004KNK [0,0,0,0,1,0|3,0,0]=4 984 B5R0.5 [O-]C(=O)[C@@H](O)C 1P00IM0T [0,0,0,0,1,0|3,0,0]=4 985 B5R0.5 [O-]C(=O)[C@H](F)C 1P02809N [0,0,0,0,1,0|3,0,0]=4 986 B5R0.5 [O-]C(=O)[C@H](O)C 1P002VDV [0,0,0,0,1,0|3,0,0]=4 987 B5R0.5 [O-]C(=O)[C@H](O)C 1P003USZ [0,0,0,0,1,0|3,0,0]=4 988 B7R0.6 CC(=C)CCC(=O)C 1P003NCD [0,0,0,0,0,1|2,0,1]=4 989 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [0,0,0,0,0,1|2,0,1]=4 990 B7R0.6 CC(=C)CNC(=S)N 1P01AAD6 [0,0,0,0,0,1|1,1,1]=4 991 B7R0.6 CC(=NNC(=O)C)C 1P00C6UV [0,0,0,0,0,1|3,0,0]=4 992 B7R0.6 CC(=NOC(=O)C)C 1P01XCOR [0,0,0,0,0,1|3,0,0]=4 993 B7R0.6 CC(=O)CCC(=O)C 1P003GHY [0,0,0,0,0,1|3,0,0]=4 994 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [0,0,0,0,0,1|3,0,0]=4 995 B7R0.6 CC(=O)COC(C)C 1P0071XC [0,0,0,0,0,1|2,0,0]=3 996 B7R0.6 CC(=O)NCC(=O)C 1P0036XR [0,0,0,0,0,1|3,0,0]=4 997 B7R0.6 CC(=O)NCC(=O)N 1P002SQ3 [0,0,0,0,0,1|2,0,0]=3 998 B7R0.6 CC(=O)NCC(=O)O 1P0033J8 [0,0,0,0,0,1|3,0,0]=4 999 B7R0.6 CC(=O)OCC(=O)C 1P003IAP [0,0,0,0,0,1|3,0,0]=4 1000 B7R0.6 CC(=O)OCC(=O)Cl 1P0018ZD [0,0,0,0,0,1|3,0,0]=4 1001 B7R0.6 CC(=O)OCC(=O)O 1P0018ZE [0,0,0,0,0,1|3,0,0]=4 1002 B7R0.6 CC(=O)OCC(=S)N 1P019NXX [0,0,0,0,0,1|2,1,0]=4 1003 B7R0.6 CC(=O)SCC(=O)O 1P000PI2 [0,0,0,0,0,1|3,0,0]=4 1004 B7R0.6 CC(C#CC(=O)O)C 1P01ANWI [0,0,0,0,0,1|2,0,1]=4 1005 B7R0.6 CC(C=CC(=O)C)C 1P003NC7 [0,0,0,0,0,1|2,0,1]=4 1006 B7R0.6 CC(C=CC(=O)O)C 1P003M70 [0,0,0,0,0,1|2,0,1]=4 1007 B7R0.6 CC(CCC(=N)N)C 1P00J1UE [0,0,0,0,0,1|2,0,0]=3 1008 B7R0.6 CC(CCC(=O)C)C 1P003NBT [0,0,0,0,0,1|2,0,0]=3 1009 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [0,0,0,0,0,1|3,0,0]=4 1010 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [0,0,0,0,0,1|2,0,0]=3 1011 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [0,0,0,0,0,1|3,0,0]=4 1012 B7R0.6 CC(CCC(=O)N)C 1P007DVM [0,0,0,0,0,1|1,0,0]=2 1013 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [0,0,0,0,0,1|3,0,0]=4 1014 B7R0.6 CC(CCC(=O)O)C 1P003M9R [0,0,0,0,0,1|2,0,0]=3 1015 B7R0.6 CC(CCC(=O)O)N 1P001A2N [0,0,0,0,0,1|3,0,0]=4 1016 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [0,0,0,0,0,1|3,0,0]=4 1017 B7R0.6 CC(CCC(=O)O)O 1P0038KW [0,0,0,0,0,1|3,0,0]=4 1018 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [0,0,0,0,0,1|3,0,0]=4 1019 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [0,0,0,0,0,1|3,0,0]=4 1020 B7R0.6 CC(CCC(=S)N)C 1P019VQG [0,0,0,0,0,1|1,1,0]=3 1021 B7R0.6 CC(CCC(N)C)C 1P003GY1 [0,0,0,0,0,1|2,0,1]=4 1022 B7R0.6 CC(CCC(N)C)C 1P01QRHU [0,0,0,0,0,1|2,0,1]=4 1023 B7R0.6 CC(CCS(=O)Cl)C 1P01C9KM [0,0,0,0,0,1|3,0,0]=4 1024 B7R0.6 CC(CC[N+](=O)[O-])C 1P00F3IP [0,0,0,0,0,1|3,0,0]=4 1025 B7R0.6 CC(CNC(=O)C)O 1P00719V [0,0,0,0,0,1|3,0,0]=4 1026 B7R0.6 CC(CNC(=O)N)C 1P003RJM [0,0,0,0,0,1|1,0,0]=2 1027 B7R0.6 CC(CNC(=S)N)C 1P001NWE [0,0,0,0,0,1|1,1,0]=3 1028 B7R0.6 CC(NCC(=O)C)C 1P01ANL3 [0,0,0,0,0,1|2,0,0]=3 1029 B7R0.6 CC(NCC(=O)N)C 1P00G7RH [0,0,0,0,0,1|1,0,0]=2 1030 B7R0.6 CC(NCC(=O)N)C 1P019JUE [0,0,0,0,0,1|1,0,0]=2 1031 B7R0.6 CC(NCC(=O)O)C 1P00C901 [0,0,0,0,0,1|2,0,0]=3 1032 B7R0.6 CC(NCC(=O)O)C 1P019MFH [0,0,0,0,0,1|2,0,0]=3 1033 B7R0.6 CC(NNC(=O)C)C 1P00DBJA [0,0,0,0,0,1|3,0,0]=4 1034 B7R0.6 CC(OCC(=N)N)C 1P01A330 [0,0,0,0,0,1|2,0,0]=3 1035 B7R0.6 CC(OCC(=O)Cl)C 1P01E7J0 [0,0,0,0,0,1|2,0,0]=3 1036 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [0,0,0,0,0,1|2,0,0]=3 1037 B7R0.6 CC(OCC(=S)N)C 1P01B4GG [0,0,0,0,0,1|1,1,0]=3 1038 B7R0.6 CC(OC[C@@H](N)C)C 1P01FJXU [0,0,0,0,0,1|2,0,1]=4 1039 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [0,0,0,0,0,1|2,0,0]=3 1040 B7R0.6 CC(\C=C\C(=O)O)C 1P001XCU [0,0,0,0,0,1|2,0,1]=4 1041 B7R0.6 CN(C=C[N+](=O)[O-])C 1P000PI3 [0,0,0,0,0,1|2,0,1]=4 1042 B7R0.6 CN(CCC(=N)N)C 1P00J2JR [0,0,0,0,0,1|1,0,0]=2 1043 B7R0.6 CN(CCC(=O)C)C 1P00C2GG [0,0,0,0,0,1|1,0,0]=2 1044 B7R0.6 CN(CCC(=O)C)C 1P00J3Y6 [0,0,0,0,0,1|1,0,0]=2 1045 B7R0.6 CN(CCC(=O)Cl)C 1P00GYU2 [0,0,0,0,0,1|1,0,0]=2 1046 B7R0.6 CN(CCC(=O)N)C 1P002DMK [0,0,0,0,0,1|0,0,0]=1 1047 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [0,0,0,0,0,1|1,0,0]=2 1048 B7R0.6 CN(CCC(=O)O)C 1P00E97T [0,0,0,0,0,1|1,0,0]=2 1049 B7R0.6 CN(CCC(=S)N)C 1P019MZY [0,0,0,0,0,1|0,1,0]=2 1050 B7R0.6 CN(CCC(O)C)C 1P01A6E5 [0,0,0,0,0,1|1,0,2]=4 1051 B7R0.6 CN(CCN(C)C)C 1P0036LV [0,0,0,0,0,1|3,0,0]=4 1052 B7R0.6 CN(CCN(C)C)C 1P003PK3 [0,0,0,0,0,1|3,0,0]=4 1053 B7R0.6 CN(CCN(C)C)C 1P003PTP [0,0,0,0,0,1|3,0,0]=4 1054 B7R0.6 CN(CCN(C)C)C 1P008VXN [0,0,0,0,0,1|3,0,0]=4 1055 B7R0.6 CN(CCN(C)C)C 1P00C3M6 [0,0,0,0,0,1|3,0,0]=4 1056 B7R0.6 CN(CCN(C)C)C 1P01F8SK [0,0,0,0,0,1|3,0,0]=4 1057 B7R0.6 CN(CC[C@@H](O)C)C 1P028PGW [0,0,0,0,0,1|1,0,2]=4 1058 B7R0.6 CN(CC[C@H](O)C)C 1P028ZZT [0,0,0,0,0,1|1,0,2]=4 1059 B7R0.6 CN(\C=C\C(=O)C)C 1P003EQJ [0,0,0,0,0,1|1,0,1]=3 1060 B7R0.6 CN(\C=C\[N+](=O)[O-])C 1P005OM5 [0,0,0,0,0,1|2,0,1]=4 1061 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [0,0,0,0,0,1|3,0,0]=4 1062 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [0,0,0,0,0,1|3,0,0]=4 1063 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [0,0,0,0,0,1|3,0,0]=4 1064 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [0,0,0,0,0,1|3,0,0]=4 1065 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [0,0,0,0,0,1|2,0,0]=3 1066 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [0,0,0,0,0,1|2,0,0]=3 1067 B7R0.6 C[S+](CCC(=O)[O-])C 1P003Q49 [0,0,0,0,0,1|2,0,0]=3 1068 B7R0.6 NC(=O)CCC(=O)N 1P003UWW [0,0,0,0,0,1|3,0,0]=4 1069 B7R0.6 NC(=O)CCC(=O)O 1P003UWV [0,0,0,0,0,1|3,0,0]=4 1070 B7R0.6 NC(=O)NCC(=O)O 1P00D8YO [0,0,0,0,0,1|3,0,0]=4 1071 B7R0.6 NC(=O)NN=C(C)C 1P003O3Y [0,0,0,0,0,1|2,0,0]=3 1072 B7R0.6 OC(=O)C=C=C(C)C 1P01GKTU [0,0,0,0,0,1|2,0,1]=4 1073 B7R0.6 OC(=O)CC=C(C)C 1P00389R [0,0,0,0,0,1|2,0,0]=3 1074 B7R0.6 OC(=O)CNC(=S)C 1P00IN1C [0,0,0,0,0,1|3,0,0]=4 1075 B7R0.6 [O-]C(=O)CCC(=O)C 1P002C2S [0,0,0,0,0,1|3,0,0]=4 1076 B7R0.6 [O-]C(=O)CCC(=O)C 1P003P4T [0,0,0,0,0,1|3,0,0]=4 1077 B7R0.6 [O-]C(=O)CCC(=O)C 1P00IMYY [0,0,0,0,0,1|3,0,0]=4 1078 B4R0.1 BrC=C(C)C 1P003367 [2,0,0,0,0,0|2,0,0]=4 1079 B4R0.1 BrC=[N+](C)C 1P002PVD [2,0,0,0,0,0|1,0,1]=4 1080 B4R0.1 BrCC(=O)Br 1P003P0X [2,0,0,0,0,0|2,0,0]=4 1081 B4R0.1 BrCC(C)C 1P003366 [2,0,0,0,0,0|2,0,0]=4 1082 B4R0.1 C=CC(=O)N 1P00E9WL [2,0,0,0,0,0|0,0,2]=4 1083 B4R0.1 C=NN(C)C 1P00BFMK [2,0,0,0,0,0|1,0,0]=3 1084 B4R0.1 CC(=C)C=O 1P0035LF [2,0,0,0,0,0|1,0,1]=4 1085 B4R0.1 CC(=C)CN 1P002WWW [2,0,0,0,0,0|1,0,1]=4 1086 B4R0.1 CC(=C)CN 1P003I52 [2,0,0,0,0,0|1,0,1]=4 1087 B4R0.1 CC(=O)CN 1P0034X5 [2,0,0,0,0,0|1,0,0]=3 1088 B4R0.1 CC(=O)CO 1P000HWA [2,0,0,0,0,0|2,0,0]=4 1089 B4R0.1 CC(=O)NBr 1P005BDP [2,0,0,0,0,0|2,0,0]=4 1090 B4R0.1 CC(=O)NN 1P003O4C [2,0,0,0,0,0|2,0,0]=4 1091 B4R0.1 CC(=O)NO 1P00394C [2,0,0,0,0,0|2,0,0]=4 1092 B4R0.1 CC(C=O)Br 1P002CQO [2,0,0,0,0,0|2,0,0]=4 1093 B4R0.1 CC(C=O)Cl 1P006MCM [2,0,0,0,0,0|2,0,0]=4 1094 B4R0.1 CC(CN)Br 1P01DMAL [2,0,0,0,0,0|2,0,0]=4 1095 B4R0.1 CC(CN)Cl 1P01B9EP [2,0,0,0,0,0|2,0,0]=4 1096 B4R0.1 CC(CN)F 1P01EIGV [2,0,0,0,0,0|2,0,0]=4 1097 B4R0.1 CC(CN)O 1P0039OT [2,0,0,0,0,0|2,0,0]=4 1098 B4R0.1 CC(CN)O 1P003RL3 [2,0,0,0,0,0|2,0,0]=4 1099 B4R0.1 CC(CN)S 1P00COSD [2,0,0,0,0,0|2,0,0]=4 1100 B4R0.1 CC=C(C)C 1P003I2C [2,0,0,0,0,0|2,0,0]=4 1101 B4R0.1 CCC(=N)N 1P00BYO6 [2,0,0,0,0,0|1,0,0]=3 1102 B4R0.1 CCC(=N)N 1P00I7LL [2,0,0,0,0,0|1,0,0]=3 1103 B4R0.1 CCC(=O)Cl 1P003UG7 [2,0,0,0,0,0|1,0,0]=3 1104 B4R0.1 CCC(=O)N 1P003UG1 [2,0,0,0,0,0|0,0,0]=2 1105 B4R0.1 CCC(=O)O 1P0035ZO [2,0,0,0,0,0|1,0,0]=3 1106 B4R0.1 CCC(=O)[O-] 1P003P52 [2,0,0,0,0,0|1,0,0]=3 1107 B4R0.1 CCC(=O)[O-] 1P003VUU [2,0,0,0,0,0|1,0,0]=3 1108 B4R0.1 CCC(=S)N 1P00365Q [2,0,0,0,0,0|0,1,0]=3 1109 B4R0.1 CCC(=S)O 1P002IJ9 [2,0,0,0,0,0|1,0,1]=4 1110 B4R0.1 CCC(N)C 1P001BNN [2,0,0,0,0,0|1,0,1]=4 1111 B4R0.1 CCN(N)C 1P01BBPA [2,0,0,0,0,0|1,0,1]=4 1112 B4R0.1 CCP(=O)C 1P027S1I [2,0,0,0,0,0|2,0,0]=4 1113 B4R0.1 CCS(=O)Cl 1P01BF60 [2,0,0,0,0,0|2,0,0]=4 1114 B4R0.1 CCS(=O)N 1P01BFNU [2,0,0,0,0,0|1,0,0]=3 1115 B4R0.1 CC[C@@H](N)C 1P0032WO [2,0,0,0,0,0|1,0,1]=4 1116 B4R0.1 CC[C@@H](N)C 1P00I6FG [2,0,0,0,0,0|1,0,1]=4 1117 B4R0.1 CC[C@H](N)C 1P00118A [2,0,0,0,0,0|1,0,1]=4 1118 B4R0.1 CC[C@H](N)C 1P00I6FH [2,0,0,0,0,0|1,0,1]=4 1119 B4R0.1 CC[SiH](C)C 1P008POW [2,0,0,0,0,0|1,0,1]=4 1120 B4R0.1 CN(C#N)C 1P001EPZ [2,0,0,0,0,0|0,0,2]=4 1121 B4R0.1 CN(C=O)N 1P00G5EA [2,0,0,0,0,0|1,0,0]=3 1122 B4R0.1 CN=C(N)C 1P01BBXW [2,0,0,0,0,0|1,0,1]=4 1123 B4R0.1 CN=C(N)N 1P00BC71 [2,0,0,0,0,0|1,0,1]=4 1124 B4R0.1 CNC(=N)N 1P00339W [2,0,0,0,0,0|1,0,0]=3 1125 B4R0.1 CNC(=O)C 1P0035SQ [2,0,0,0,0,0|1,0,0]=3 1126 B4R0.1 CNC(=O)Cl 1P00IBUF [2,0,0,0,0,0|1,0,0]=3 1127 B4R0.1 CNC(=O)N 1P0035QD [2,0,0,0,0,0|0,0,0]=2 1128 B4R0.1 CNC(=S)N 1P003TPB [2,0,0,0,0,0|0,1,0]=3 1129 B4R0.1 CNN(C)C 1P00384M [2,0,0,0,0,0|1,0,1]=4 1130 B4R0.1 COC(=N)N 1P00DENI [2,0,0,0,0,0|2,0,0]=4 1131 B4R0.1 COC(=O)C 1P0053LN [2,0,0,0,0,0|2,0,0]=4 1132 B4R0.1 COC(=O)N 1P003SGG [2,0,0,0,0,0|1,0,0]=3 1133 B4R0.1 COC(=S)N 1P005ROA [2,0,0,0,0,0|1,1,0]=4 1134 B4R0.1 CON(C)C 1P028QUI [2,0,0,0,0,0|1,0,1]=4 1135 B4R0.1 CSC(=N)N 1P00361U [2,0,0,0,0,0|2,0,0]=4 1136 B4R0.1 CSC(=N)N 1P00DA51 [2,0,0,0,0,0|2,0,0]=4 1137 B4R0.1 CSC(=O)C 1P003UQP [2,0,0,0,0,0|2,0,0]=4 1138 B4R0.1 CSC(=O)N 1P01PZH2 [2,0,0,0,0,0|1,0,0]=3 1139 B4R0.1 CSC(=S)N 1P0292HS [2,0,0,0,0,0|1,1,0]=4 1140 B4R0.1 C[C@@H](CN)O 1P003CWC [2,0,0,0,0,0|2,0,0]=4 1141 B4R0.1 C[C@@H](CN)S 1P028700 [2,0,0,0,0,0|2,0,0]=4 1142 B4R0.1 C[C@H](CN)F 1P027VQ9 [2,0,0,0,0,0|2,0,0]=4 1143 B4R0.1 C[C@H](CN)O 1P003CIX [2,0,0,0,0,0|2,0,0]=4 1144 B4R0.1 C[C@H](CN)S 1P028MOY [2,0,0,0,0,0|2,0,0]=4 1145 B4R0.1 ClC(=O)CBr 1P003P0Y [2,0,0,0,0,0|2,0,0]=4 1146 B4R0.1 ClC=C(C)C 1P003EOC [2,0,0,0,0,0|2,0,0]=4 1147 B4R0.1 ClC=[N+](C)C 1P0032TX [2,0,0,0,0,0|1,0,1]=4 1148 B4R0.1 ClCC(C)C 1P0036A5 [2,0,0,0,0,0|2,0,0]=4 1149 B4R0.1 ClC[SiH](C)C 1P00C86A [2,0,0,0,0,0|2,0,0]=4 1150 B4R0.1 ICC(C)C 1P003RJE [2,0,0,0,0,0|2,0,0]=4 1151 B4R0.1 NC(=N)CCl 1P003P9P [2,0,0,0,0,0|2,0,0]=4 1152 B4R0.1 NC(=N)CCl 1P00BFLZ [2,0,0,0,0,0|2,0,0]=4 1153 B4R0.1 NC(=N)CF 1P00J2CQ [2,0,0,0,0,0|2,0,0]=4 1154 B4R0.1 NC(=N)CO 1P003A09 [2,0,0,0,0,0|2,0,0]=4 1155 B4R0.1 NC(=N)CO 1P00DJH7 [2,0,0,0,0,0|2,0,0]=4 1156 B4R0.1 NC(=O)C#C 1P0035ZN [2,0,0,0,0,0|0,0,2]=4 1157 B4R0.1 NC(=O)C=C 1P0034W9 [2,0,0,0,0,0|0,0,2]=4 1158 B4R0.1 NC(=O)CBr 1P0033MO [2,0,0,0,0,0|1,0,0]=3 1159 B4R0.1 NC(=O)CCl 1P003HHZ [2,0,0,0,0,0|1,0,0]=3 1160 B4R0.1 NC(=O)CF 1P00JTCL [2,0,0,0,0,0|1,0,0]=3 1161 B4R0.1 NC(=O)CI 1P001J7S [2,0,0,0,0,0|1,0,0]=3 1162 B4R0.1 NC(=O)CO 1P003HVT [2,0,0,0,0,0|1,0,0]=3 1163 B4R0.1 NC(=O)CS 1P005IT7 [2,0,0,0,0,0|1,0,0]=3 1164 B4R0.1 NC(=O)NO 1P000WZ7 [2,0,0,0,0,0|1,0,0]=3 1165 B4R0.1 NC(=S)CF 1P00IDTZ [2,0,0,0,0,0|1,1,0]=4 1166 B4R0.1 NC(=S)CO 1P019U8H [2,0,0,0,0,0|1,1,0]=4 1167 B4R0.1 NC(=[NH2+])CS 1P00755V [2,0,0,0,0,0|2,0,0]=4 1168 B4R0.1 NCC(=C)Br 1P00ICEF [2,0,0,0,0,0|2,0,0]=4 1169 B4R0.1 NCC(=C)Cl 1P0002P5 [2,0,0,0,0,0|2,0,0]=4 1170 B4R0.1 NCC(=C)F 1P01X2H7 [2,0,0,0,0,0|2,0,0]=4 1171 B4R0.1 NCC(=N)N 1P003GZP [2,0,0,0,0,0|1,0,0]=3 1172 B4R0.1 NCC(=N)N 1P027RGW [2,0,0,0,0,0|1,0,0]=3 1173 B4R0.1 NCC(=O)N 1P001XFF [2,0,0,0,0,0|0,0,0]=2 1174 B4R0.1 NCC(=O)N 1P007FBC [2,0,0,0,0,0|0,0,0]=2 1175 B4R0.1 NCC(=O)N 1P00E9KZ [2,0,0,0,0,0|0,0,0]=2 1176 B4R0.1 NCC(=O)O 1P0035FO [2,0,0,0,0,0|1,0,0]=3 1177 B4R0.1 NCC(=O)O 1P00392S [2,0,0,0,0,0|1,0,0]=3 1178 B4R0.1 NCC(=O)O 1P003GZQ [2,0,0,0,0,0|1,0,0]=3 1179 B4R0.1 NCC(=O)O 1P003R91 [2,0,0,0,0,0|1,0,0]=3 1180 B4R0.1 NCC(=O)[O-] 1P001FPG [2,0,0,0,0,0|1,0,0]=3 1181 B4R0.1 NCC(=O)[O-] 1P003VUO [2,0,0,0,0,0|1,0,0]=3 1182 B4R0.1 NCC(=O)[O-] 1P007GEQ [2,0,0,0,0,0|1,0,0]=3 1183 B4R0.1 NCC(=O)[O-] 1P01CD7L [2,0,0,0,0,0|1,0,0]=3 1184 B4R0.1 NCC(=S)N 1P01A4KW [2,0,0,0,0,0|0,1,0]=3 1185 B4R0.1 NCC(C)C 1P003RJP [2,0,0,0,0,0|1,0,0]=3 1186 B4R0.1 NCC(C)C 1P003RJQ [2,0,0,0,0,0|1,0,0]=3 1187 B4R0.1 NCC(C)C 1P00C4UX [2,0,0,0,0,0|1,0,0]=3 1188 B4R0.1 NCC(C)C 1P00ICXR [2,0,0,0,0,0|1,0,0]=3 1189 B4R0.1 NCC(N)C 1P003318 [2,0,0,0,0,0|1,0,1]=4 1190 B4R0.1 NC[C@@H](N)C 1P002BGH [2,0,0,0,0,0|1,0,1]=4 1191 B4R0.1 NC[C@H](N)C 1P002BHK [2,0,0,0,0,0|1,0,1]=4 1192 B4R0.1 NN=C(C)C 1P00DMU1 [2,0,0,0,0,0|2,0,0]=4 1193 B4R0.1 NN=C(N)N 1P00IKUL [2,0,0,0,0,0|2,0,0]=4 1194 B4R0.1 NNC(=N)N 1P001SW7 [2,0,0,0,0,0|2,0,0]=4 1195 B4R0.1 NNC(=N)N 1P0039BN [2,0,0,0,0,0|2,0,0]=4 1196 B4R0.1 NNC(=N)N 1P003OAO [2,0,0,0,0,0|2,0,0]=4 1197 B4R0.1 NNC(=O)N 1P00361L [2,0,0,0,0,0|1,0,0]=3 1198 B4R0.1 NNC(=O)N 1P0037II [2,0,0,0,0,0|1,0,0]=3 1199 B4R0.1 NNC(=S)N 1P00365S [2,0,0,0,0,0|1,1,0]=4 1200 B4R0.1 NNC(C)C 1P0035IX [2,0,0,0,0,0|2,0,0]=4 1201 B4R0.1 NOC(C)C 1P00396P [2,0,0,0,0,0|2,0,0]=4 1202 B4R0.1 N[13CH2]C(=O)O 1P00C26O [2,0,0,0,0,0|1,0,0]=3 1203 B4R0.1 N[13C](=O)[13CH]=[13CH2] 1P00C2PS [2,0,0,0,0,0|0,0,2]=4 1204 B4R0.1 O=CC(=O)C 1P00360Q [2,0,0,0,0,0|2,0,0]=4 1205 B4R0.1 O=CC(C)C 1P0035IE [2,0,0,0,0,0|1,0,0]=3 1206 B4R0.1 OC(=O)CBr 1P003511 [2,0,0,0,0,0|2,0,0]=4 1207 B4R0.1 OC(=O)CCl 1P003B9S [2,0,0,0,0,0|2,0,0]=4 1208 B4R0.1 OC(=O)CI 1P003RH9 [2,0,0,0,0,0|2,0,0]=4 1209 B4R0.1 OC(=O)CS 1P0039SY [2,0,0,0,0,0|2,0,0]=4 1210 B4R0.1 OC(=O)CS 1P003P58 [2,0,0,0,0,0|2,0,0]=4 1211 B4R0.1 OCC(=O)O 1P002RQ6 [2,0,0,0,0,0|2,0,0]=4 1212 B4R0.1 OCC(=O)O 1P005YTG [2,0,0,0,0,0|2,0,0]=4 1213 B4R0.1 OCC(=O)O 1P00BZ1F [2,0,0,0,0,0|2,0,0]=4 1214 B4R0.1 OCC(=O)[O-] 1P002SYD [2,0,0,0,0,0|2,0,0]=4 1215 B4R0.1 OCC(C)C 1P0035IA [2,0,0,0,0,0|1,0,1]=4 1216 B4R0.1 PCC(C)C 1P0074H8 [2,0,0,0,0,0|1,1,0]=4 1217 B4R0.1 S=CN(C)C 1P003T2D [2,0,0,0,0,0|0,1,0]=3 1218 B4R0.1 SCC(=O)O 1P000KEI [2,0,0,0,0,0|2,0,0]=4 1219 B4R0.1 SCC(=O)O 1P000R53 [2,0,0,0,0,0|2,0,0]=4 1220 B4R0.1 SCC(=O)[O-] 1P01DNXZ [2,0,0,0,0,0|2,0,0]=4 1221 B4R0.1 SCC(C)C 1P003RJW [2,0,0,0,0,0|1,1,0]=4 1222 B4R0.1 [15NH2]CC(=O)O 1P00FCSE [2,0,0,0,0,0|1,0,0]=3 1223 B4R0.1 [15NH2][13CH2][13C](=O)O 1P00C26A [2,0,0,0,0,0|1,0,0]=3 1224 B4R0.1 [O-]C(=O)CBr 1P003USJ [2,0,0,0,0,0|2,0,0]=4 1225 B4R0.1 [O-]C(=O)CC 1P001350 [2,0,0,0,0,0|1,0,0]=3 1226 B4R0.1 [O-]C(=O)CC 1P0035ZP [2,0,0,0,0,0|1,0,0]=3 1227 B4R0.1 [O-]C(=O)CCl 1P003625 [2,0,0,0,0,0|2,0,0]=4 1228 B4R0.1 [O-]C(=O)CI 1P0030UG [2,0,0,0,0,0|2,0,0]=4 1229 B4R0.1 [O-]C(=O)CN 1P002JEZ [2,0,0,0,0,0|1,0,0]=3 1230 B4R0.1 [O-]C(=O)CO 1P00BC47 [2,0,0,0,0,0|2,0,0]=4 1231 B4R0.1 [O-]C(=O)CS 1P003OCD [2,0,0,0,0,0|2,0,0]=4 1232 B4R0.1 [O-]C(=O)CS 1P0078SY [2,0,0,0,0,0|2,0,0]=4 1233 B4R0.1 [O-]CC(C)C 1P003V60 [2,0,0,0,0,0|1,0,1]=4 1234 B4R0.1 [O-]S(=O)CC 1P002D65 [2,0,0,0,0,0|2,0,0]=4 1235 B4R0.2 CC#CC=O 1P0084H8 [2,0,0,0,0,0|1,0,1]=4 1236 B4R0.2 CCCC=O 1P000KEO [2,0,0,0,0,0|1,0,0]=3 1237 B4R0.2 CCCCN 1P001OKC [2,0,0,0,0,0|1,0,1]=4 1238 B4R0.2 CCCCN 1P0035TX [2,0,0,0,0,0|1,0,1]=4 1239 B4R0.2 CCCCN 1P0039SL [2,0,0,0,0,0|1,0,1]=4 1240 B4R0.2 CCCCN 1P003EEJ [2,0,0,0,0,0|1,0,1]=4 1241 B4R0.2 CCCNC 1P0035V8 [2,0,0,0,0,0|1,0,1]=4 1242 B4R0.2 CCCNC 1P01A86A [2,0,0,0,0,0|1,0,1]=4 1243 B4R0.2 CCCNN 1P003A6G [2,0,0,0,0,0|2,0,0]=4 1244 B4R0.2 CCCNN 1P00ICJV [2,0,0,0,0,0|2,0,0]=4 1245 B4R0.2 CCCON 1P00EAUE [2,0,0,0,0,0|2,0,0]=4 1246 B4R0.2 CCNC=O 1P003TGY [2,0,0,0,0,0|2,0,0]=4 1247 B4R0.2 CCOC=O 1P0035CU [2,0,0,0,0,0|2,0,0]=4 1248 B4R0.2 CNCC#C 1P0035V7 [2,0,0,0,0,0|1,0,1]=4 1249 B4R0.2 CNCC#N 1P003SK1 [2,0,0,0,0,0|0,0,2]=4 1250 B4R0.2 CNCC#N 1P003SK2 [2,0,0,0,0,0|0,0,2]=4 1251 B4R0.2 CNCC=C 1P003T6C [2,0,0,0,0,0|1,0,0]=3 1252 B4R0.2 CNCCBr 1P00C7EM [2,0,0,0,0,0|1,0,1]=4 1253 B4R0.2 CNCCCl 1P00DBZD [2,0,0,0,0,0|1,0,1]=4 1254 B4R0.2 CNCCF 1P003B2E [2,0,0,0,0,0|1,0,1]=4 1255 B4R0.2 CNCCI 1P00I42L [2,0,0,0,0,0|1,0,1]=4 1256 B4R0.2 CNCCN 1P0035V2 [2,0,0,0,0,0|0,0,1]=3 1257 B4R0.2 CNCCO 1P0033CC [2,0,0,0,0,0|0,0,2]=4 1258 B4R0.2 CNCCO 1P0037NV [2,0,0,0,0,0|0,0,2]=4 1259 B4R0.2 CNCCS 1P01B8TO [2,0,0,0,0,0|0,1,1]=4 1260 B4R0.2 COCC=C 1P0034WM [2,0,0,0,0,0|2,0,0]=4 1261 B4R0.2 COCCN 1P0033UD [2,0,0,0,0,0|1,0,1]=4 1262 B4R0.2 COCON 1P028BZ6 [2,0,0,0,0,0|2,0,0]=4 1263 B4R0.2 CSCC=C 1P00056H [2,0,0,0,0,0|2,0,0]=4 1264 B4R0.2 CSCCN 1P003FKA [2,0,0,0,0,0|1,0,1]=4 1265 B4R0.2 CSCCN 1P005LMK [2,0,0,0,0,0|1,0,1]=4 1266 B4R0.2 NCCNC 1P003TOD [2,0,0,0,0,0|0,0,1]=3 1267 B4R0.2 NCCNO 1P028ZWH [2,0,0,0,0,0|1,0,1]=4 1268 B4R0.2 NNCC=C 1P00I9SX [2,0,0,0,0,0|2,0,0]=4 1269 B4R0.2 NNCC=C 1P00ICJX [2,0,0,0,0,0|2,0,0]=4 1270 B4R0.2 OCCC=O 1P0038NL [2,0,0,0,0,0|2,0,0]=4 1271 B4R0.2 ONCC=C 1P0281KE [2,0,0,0,0,0|2,0,0]=4 1272 B6R0.1 BrCCN(CC)C 1P0284N1 [1,1,0,0,0,0|1,0,1]=4 1273 B6R0.1 CC#CC(=O)NN 1P00DCQ9 [1,1,0,0,0,0|1,0,1]=4 1274 B6R0.1 CC(CC)CC=O 1P001RBW [1,1,0,0,0,0|1,0,0]=3 1275 B6R0.1 CC(CC)CON 1P01ALR3 [1,1,0,0,0,0|2,0,0]=4 1276 B6R0.1 CC(CCl)CC=C 1P01BL6V [1,1,0,0,0,0|2,0,0]=4 1277 B6R0.1 CC(CN)CNC 1P009GBP [1,1,0,0,0,0|1,0,1]=4 1278 B6R0.1 CC(CO)CNN 1P028D07 [1,1,0,0,0,0|2,0,0]=4 1279 B6R0.1 CC(OC)CCN 1P00J2ZL [1,1,0,0,0,0|1,0,1]=4 1280 B6R0.1 CC(OC)CCN 1P01A9Y6 [1,1,0,0,0,0|1,0,1]=4 1281 B6R0.1 CC(SC)CC=O 1P001X2Y [1,1,0,0,0,0|1,0,0]=3 1282 B6R0.1 CC(SC)CCN 1P01A9TM [1,1,0,0,0,0|1,0,1]=4 1283 B6R0.1 CCCC(=N)NO 1P002UQT [1,1,0,0,0,0|2,0,0]=4 1284 B6R0.1 CCCC(=O)C#C 1P006GC2 [1,1,0,0,0,0|2,0,0]=4 1285 B6R0.1 CCCC(=O)C=C 1P001TZV [1,1,0,0,0,0|2,0,0]=4 1286 B6R0.1 CCCC(=O)CBr 1P00517X [1,1,0,0,0,0|2,0,0]=4 1287 B6R0.1 CCCC(=O)CC 1P003JZA [1,1,0,0,0,0|2,0,0]=4 1288 B6R0.1 CCCC(=O)CCl 1P002GN5 [1,1,0,0,0,0|2,0,0]=4 1289 B6R0.1 CCCC(=O)CN 1P01C2B2 [1,1,0,0,0,0|1,0,0]=3 1290 B6R0.1 CCCC(=O)CO 1P00EZ0V [1,1,0,0,0,0|2,0,0]=4 1291 B6R0.1 CCCC(=O)NN 1P00I7HO [1,1,0,0,0,0|1,0,0]=3 1292 B6R0.1 CCCC(=O)NO 1P00D8ZA [1,1,0,0,0,0|1,0,0]=3 1293 B6R0.1 CCCC(=O)OC 1P003SGE [1,1,0,0,0,0|2,0,0]=4 1294 B6R0.1 CCC\C(=N\O)\N 1P00J2F4 [1,1,0,0,0,0|1,0,1]=4 1295 B6R0.1 CCNC(=O)CN 1P002U9F [1,1,0,0,0,0|2,0,0]=4 1296 B6R0.1 CCNC(=O)CN 1P00EL26 [1,1,0,0,0,0|2,0,0]=4 1297 B6R0.1 CCNC(=O)NN 1P019Y9O [1,1,0,0,0,0|2,0,0]=4 1298 B6R0.1 CCNC(=O)NO 1P00F05I [1,1,0,0,0,0|2,0,0]=4 1299 B6R0.1 CCOC(=O)CN 1P0035FP [1,1,0,0,0,0|2,0,0]=4 1300 B6R0.1 CCOC(=O)NC 1P003TPD [1,1,0,0,0,0|2,0,0]=4 1301 B6R0.1 CCOC(=O)NN 1P003P5R [1,1,0,0,0,0|2,0,0]=4 1302 B6R0.1 CCOC(=O)NO 1P003TJA [1,1,0,0,0,0|2,0,0]=4 1303 B6R0.1 CN(CC)CC#C 1P01AFYB [1,1,0,0,0,0|1,0,1]=4 1304 B6R0.1 CN(OC)CCN 1P01AFRF [1,1,0,0,0,0|0,0,1]=3 1305 B6R0.1 CNC(=O)CC#N 1P00EAAK [1,1,0,0,0,0|2,0,0]=4 1306 B6R0.1 CNC(=O)CCBr 1P01HIVF [1,1,0,0,0,0|2,0,0]=4 1307 B6R0.1 CNC(=O)CCCl 1P00C8ZK [1,1,0,0,0,0|2,0,0]=4 1308 B6R0.1 CNC(=O)CCN 1P00DNDQ [1,1,0,0,0,0|2,0,0]=4 1309 B6R0.1 CNC(=O)CCO 1P00FDP7 [1,1,0,0,0,0|2,0,0]=4 1310 B6R0.1 CNC(=O)CCS 1P003K33 [1,1,0,0,0,0|2,0,0]=4 1311 B6R0.1 CNCC(=O)NC 1P00DD1M [1,1,0,0,0,0|0,0,0]=2 1312 B6R0.1 CNCC(=O)NC 1P019LMM [1,1,0,0,0,0|0,0,0]=2 1313 B6R0.1 CNCC(=O)NN 1P01B76Z [1,1,0,0,0,0|0,0,0]=2 1314 B6R0.1 CNCC(=O)OC 1P0038A2 [1,1,0,0,0,0|1,0,0]=3 1315 B6R0.1 CNCC(CN)O 1P01BCUO [1,1,0,0,0,0|0,0,2]=4 1316 B6R0.1 COC(=O)CNN 1P00CIKR [1,1,0,0,0,0|2,0,0]=4 1317 B6R0.1 COCC(=N)NC 1P01BSDZ [1,1,0,0,0,0|2,0,0]=4 1318 B6R0.1 COCC(=N)NO 1P005SV2 [1,1,0,0,0,0|2,0,0]=4 1319 B6R0.1 COCC(=O)C=C 1P00DJR2 [1,1,0,0,0,0|2,0,0]=4 1320 B6R0.1 COCC(=O)CC 1P01AK1L [1,1,0,0,0,0|2,0,0]=4 1321 B6R0.1 COCC(=O)NC 1P01C60K [1,1,0,0,0,0|1,0,0]=3 1322 B6R0.1 COCC(=O)NN 1P002AZ3 [1,1,0,0,0,0|1,0,0]=3 1323 B6R0.1 COCC(=O)OC 1P00391Q [1,1,0,0,0,0|2,0,0]=4 1324 B6R0.1 COC\C(=N\O)\N 1P00J307 [1,1,0,0,0,0|1,0,1]=4 1325 B6R0.1 CONC(=O)CN 1P01A0TE [1,1,0,0,0,0|2,0,0]=4 1326 B6R0.1 CSCC(=O)CC 1P0012TN [1,1,0,0,0,0|2,0,0]=4 1327 B6R0.1 CSCC(=O)NN 1P01A3MA [1,1,0,0,0,0|1,0,0]=3 1328 B6R0.1 CSCC(=O)OC 1P001X2T [1,1,0,0,0,0|2,0,0]=4 1329 B6R0.1 CSC\C(=N\O)\N 1P008VZY [1,1,0,0,0,0|1,0,1]=4 1330 B6R0.1 ICCN(CC)C 1P0290XD [1,1,0,0,0,0|1,0,1]=4 1331 B6R0.1 NCCC(=O)NN 1P028BFD [1,1,0,0,0,0|2,0,0]=4 1332 B6R0.1 NCCC(=O)NO 1P01BE4B [1,1,0,0,0,0|2,0,0]=4 1333 B6R0.1 NCCC(CC)C 1P01B5N1 [1,1,0,0,0,0|1,0,1]=4 1334 B6R0.1 NCCC(CCl)C 1P028C6J [1,1,0,0,0,0|1,0,1]=4 1335 B6R0.1 NCCC(CO)C 1P003L5C [1,1,0,0,0,0|1,0,1]=4 1336 B6R0.1 NCCC(CO)C 1P028TNW [1,1,0,0,0,0|1,0,1]=4 1337 B6R0.1 NCCC(CS)C 1P028UTC [1,1,0,0,0,0|1,0,1]=4 1338 B6R0.1 NCCN(CC)C 1P007TLV [1,1,0,0,0,0|0,0,1]=3 1339 B6R0.1 NCCN(CC)C 1P01FJYF [1,1,0,0,0,0|0,0,1]=3 1340 B6R0.1 NCCN(OC)C 1P01AFRE [1,1,0,0,0,0|0,0,1]=3 1341 B6R0.1 NCC[C@H](CO)C 1P003CQO [1,1,0,0,0,0|1,0,1]=4 1342 B6R0.1 NNC(=O)CC#N 1P00353S [1,1,0,0,0,0|2,0,0]=4 1343 B6R0.1 NNC(=O)CCO 1P002OWU [1,1,0,0,0,0|2,0,0]=4 1344 B6R0.1 NNC(=O)CCS 1P005NOM [1,1,0,0,0,0|2,0,0]=4 1345 B6R0.1 NNCC(=O)NC 1P0248YV [1,1,0,0,0,0|1,0,0]=3 1346 B6R0.1 OCCN(CC)C 1P00BI0H [1,1,0,0,0,0|0,0,2]=4 1347 B6R0.1 ONC(=O)CCCl 1P01BE4Y [1,1,0,0,0,0|2,0,0]=4 1348 B6R0.1 SCCN(CC)C 1P01DX0O [1,1,0,0,0,0|0,1,1]=4 1349 B6R0.3 *C(C(=O)N)C* 1P00IM2A [1,1,0,0,0,0|2,0,0]=4 1350 B6R0.3 BrCC(N(C)C)C 1P028IT0 [1,1,0,0,0,0|1,0,1]=4 1351 B6R0.3 C=CC(=O)N(C)C 1P003T1H [1,1,0,0,0,0|1,0,1]=4 1352 B6R0.3 C=CC(C(C)C)O 1P00DBHA [1,1,0,0,0,0|2,0,0]=4 1353 B6R0.3 CC(C(=N)N)CC 1P019XUO [1,1,0,0,0,0|2,0,0]=4 1354 B6R0.3 CC(C(=N)N)OC 1P019Z90 [1,1,0,0,0,0|2,0,0]=4 1355 B6R0.3 CC(C(=N)N)SC 1P0286CT [1,1,0,0,0,0|2,0,0]=4 1356 B6R0.3 CC(C(=O)N)C#N 1P005SOR [1,1,0,0,0,0|2,0,0]=4 1357 B6R0.3 CC(C(=O)N)CC 1P0082Z0 [1,1,0,0,0,0|1,0,0]=3 1358 B6R0.3 CC(C(=O)N)NC 1P00C8TM [1,1,0,0,0,0|0,0,0]=2 1359 B6R0.3 CC(C(=O)N)NC 1P01A4VK [1,1,0,0,0,0|0,0,0]=2 1360 B6R0.3 CC(C(=O)N)OC 1P01AKMI [1,1,0,0,0,0|1,0,0]=3 1361 B6R0.3 CC(C(=O)N)SC 1P028ALZ [1,1,0,0,0,0|1,0,0]=3 1362 B6R0.3 CC(C(=O)O)CC 1P000BT8 [1,1,0,0,0,0|2,0,0]=4 1363 B6R0.3 CC(C(=O)O)NC 1P003BEG [1,1,0,0,0,0|1,0,0]=3 1364 B6R0.3 CC(C(=O)O)NC 1P00CLMV [1,1,0,0,0,0|1,0,0]=3 1365 B6R0.3 CC(C(=O)O)OC 1P0037PR [1,1,0,0,0,0|2,0,0]=4 1366 B6R0.3 CC(C(=O)O)SC 1P00EEEC [1,1,0,0,0,0|2,0,0]=4 1367 B6R0.3 CC(C(=S)N)CC 1P01AD68 [1,1,0,0,0,0|1,1,0]=4 1368 B6R0.3 CC(C(=S)N)OC 1P019YTS [1,1,0,0,0,0|1,1,0]=4 1369 B6R0.3 CCC(C(=N)N)O 1P01BFO4 [1,1,0,0,0,0|2,0,0]=4 1370 B6R0.3 CCC(C(=O)Br)Br 1P002S1O [1,1,0,0,0,0|2,0,0]=4 1371 B6R0.3 CCC(C(=O)C)Br 1P008MK8 [1,1,0,0,0,0|2,0,0]=4 1372 B6R0.3 CCC(C(=O)C)C 1P0037NS [1,1,0,0,0,0|2,0,0]=4 1373 B6R0.3 CCC(C(=O)C)S 1P003K2Z [1,1,0,0,0,0|2,0,0]=4 1374 B6R0.3 CCC(C(=O)Cl)Br 1P007Q0D [1,1,0,0,0,0|2,0,0]=4 1375 B6R0.3 CCC(C(=O)Cl)Cl 1P003HIO [1,1,0,0,0,0|2,0,0]=4 1376 B6R0.3 CCC(C(=O)N)Br 1P00394S [1,1,0,0,0,0|1,0,0]=3 1377 B6R0.3 CCC(C(=O)N)Cl 1P003HIM [1,1,0,0,0,0|1,0,0]=3 1378 B6R0.3 CCC(C(=O)N)N 1P00DIK4 [1,1,0,0,0,0|1,0,0]=3 1379 B6R0.3 CCC(C(=O)N)N 1P01ALHP [1,1,0,0,0,0|1,0,0]=3 1380 B6R0.3 CCC(C(=O)N)O 1P01A5K5 [1,1,0,0,0,0|1,0,0]=3 1381 B6R0.3 CCC(C(=O)O)Br 1P003720 [1,1,0,0,0,0|2,0,0]=4 1382 B6R0.3 CCC(C(=O)O)Cl 1P003HIN [1,1,0,0,0,0|2,0,0]=4 1383 B6R0.3 CCC(C(=O)O)O 1P003Q9H [1,1,0,0,0,0|2,0,0]=4 1384 B6R0.3 CCC(C(=O)O)S 1P002TTI [1,1,0,0,0,0|2,0,0]=4 1385 B6R0.3 CCN(C(=O)N)N 1P01DGMT [1,1,0,0,0,0|2,0,0]=4 1386 B6R0.3 CC[C@@H](C(=O)N)N 1P003RNL [1,1,0,0,0,0|1,0,0]=3 1387 B6R0.3 CC[C@@H](C(=O)N)N 1P00FCWE [1,1,0,0,0,0|1,0,0]=3 1388 B6R0.3 CC[C@@H](C(=O)O)Br 1P00C7MK [1,1,0,0,0,0|2,0,0]=4 1389 B6R0.3 CC[C@@H](C(=O)O)N 1P001LWU [1,1,0,0,0,0|2,0,0]=4 1390 B6R0.3 CC[C@@H](C(=O)O)N 1P003REQ [1,1,0,0,0,0|2,0,0]=4 1391 B6R0.3 CC[C@@H](C(=O)O)O 1P00382V [1,1,0,0,0,0|2,0,0]=4 1392 B6R0.3 CC[C@@H](C(=O)O)S 1P00HI32 [1,1,0,0,0,0|2,0,0]=4 1393 B6R0.3 CC[C@H](C(=O)N)N 1P0032U6 [1,1,0,0,0,0|1,0,0]=3 1394 B6R0.3 CC[C@H](C(=O)O)Br 1P006UE3 [1,1,0,0,0,0|2,0,0]=4 1395 B6R0.3 CC[C@H](C(=O)O)Cl 1P003CM0 [1,1,0,0,0,0|2,0,0]=4 1396 B6R0.3 CC[C@H](C(=O)O)N 1P002SV0 [1,1,0,0,0,0|2,0,0]=4 1397 B6R0.3 CC[C@H](C(=O)O)O 1P002D2A [1,1,0,0,0,0|2,0,0]=4 1398 B6R0.3 CNC(=O)C(=O)O 1P002YCG [1,1,0,0,0,0|1,0,1]=4 1399 B6R0.3 COC(C(=O)C)C 1P01A0W5 [1,1,0,0,0,0|2,0,0]=4 1400 B6R0.3 C[C@@H](C(=O)N)NC 1P00J3DG [1,1,0,0,0,0|0,0,0]=2 1401 B6R0.3 C[C@@H](C(=O)O)CC 1P0032VK [1,1,0,0,0,0|2,0,0]=4 1402 B6R0.3 C[C@@H](C(=O)O)NC 1P00I86T [1,1,0,0,0,0|1,0,0]=3 1403 B6R0.3 C[C@@H](C(=O)O)OC 1P0039C4 [1,1,0,0,0,0|2,0,0]=4 1404 B6R0.3 C[C@H](C(=O)N)NC 1P00J3CW [1,1,0,0,0,0|0,0,0]=2 1405 B6R0.3 C[C@H](C(=O)O)CC 1P0032WP [1,1,0,0,0,0|2,0,0]=4 1406 B6R0.3 C[C@H](C(=O)O)NC 1P002YZ5 [1,1,0,0,0,0|1,0,0]=3 1407 B6R0.3 C[C@H](C(=O)O)OC 1P0032UO [1,1,0,0,0,0|2,0,0]=4 1408 B6R0.3 NC(=O)C(C#N)Br 1P0082Z1 [1,1,0,0,0,0|2,0,0]=4 1409 B6R0.3 NC(=O)C(CBr)Br 1P001NI4 [1,1,0,0,0,0|2,0,0]=4 1410 B6R0.3 NC(=O)C(CCl)Cl 1P003FYF [1,1,0,0,0,0|2,0,0]=4 1411 B6R0.3 NC(C(=O)N)C#N 1P00649H [1,1,0,0,0,0|2,0,0]=4 1412 B6R0.3 NC(C(=O)N)CO 1P01B58Z [1,1,0,0,0,0|2,0,0]=4 1413 B6R0.3 NC(C(=O)N)CS 1P01DX7L [1,1,0,0,0,0|2,0,0]=4 1414 B6R0.3 NCC(=O)N(C)C 1P002DCJ [1,1,0,0,0,0|0,0,2]=4 1415 B6R0.3 NCC(=O)N(C)C 1P00374V [1,1,0,0,0,0|0,0,2]=4 1416 B6R0.3 NCC(=O)N(C)C 1P00774H [1,1,0,0,0,0|0,0,2]=4 1417 B6R0.3 NCC(C(=O)N)O 1P01BFL9 [1,1,0,0,0,0|2,0,0]=4 1418 B6R0.3 NCC(C(C)C)C 1P006L5N [1,1,0,0,0,0|1,0,1]=4 1419 B6R0.3 NCC(C(C)C)C 1P01EII4 [1,1,0,0,0,0|1,0,1]=4 1420 B6R0.3 NCC(C(C)C)Cl 1P028EKI [1,1,0,0,0,0|1,0,1]=4 1421 B6R0.3 NCC(C(C)C)N 1P01AHZS [1,1,0,0,0,0|1,0,1]=4 1422 B6R0.3 NCC(C(C)C)O 1P00AMTI [1,1,0,0,0,0|1,0,1]=4 1423 B6R0.3 NCC(C(C)C)O 1P01AKSJ [1,1,0,0,0,0|1,0,1]=4 1424 B6R0.3 NCC(C(C)C)S 1P028OJ3 [1,1,0,0,0,0|1,0,1]=4 1425 B6R0.3 NCC(N(C)C)C 1P002BEP [1,1,0,0,0,0|0,0,1]=3 1426 B6R0.3 NCC(N(C)C)C 1P00HEMK [1,1,0,0,0,0|0,0,1]=3 1427 B6R0.3 NC[C@@H](N(C)C)C 1P01C1QS [1,1,0,0,0,0|0,0,1]=3 1428 B6R0.3 NC[C@H](C(C)C)O 1P00J2SF [1,1,0,0,0,0|1,0,1]=4 1429 B6R0.3 NC[C@H](N(C)C)C 1P00J3CB [1,1,0,0,0,0|0,0,1]=3 1430 B6R0.3 NN=C(N(C)C)N 1P01BFVU [1,1,0,0,0,0|1,0,1]=4 1431 B6R0.3 NNC(=O)C(=O)N 1P003TZA [1,1,0,0,0,0|1,0,1]=4 1432 B6R0.3 NNC(=O)N(C)C 1P00J7PZ [1,1,0,0,0,0|1,0,1]=4 1433 B6R0.3 NNC(=S)N(C)C 1P003KWM [1,1,0,0,0,0|1,0,1]=4 1434 B6R0.3 NNC(C(C)C)C 1P019UTH [1,1,0,0,0,0|2,0,0]=4 1435 B6R0.3 N[C@@H](C(=O)N)CO 1P000JHQ [1,1,0,0,0,0|2,0,0]=4 1436 B6R0.3 N[C@H](C(=O)N)CO 1P003RU0 [1,1,0,0,0,0|2,0,0]=4 1437 B6R0.3 O=CC(C(=O)C)Br 1P008EEH [1,1,0,0,0,0|2,0,0]=4 1438 B6R0.3 O=CC(C(C)C)Br 1P01A6VL [1,1,0,0,0,0|1,0,0]=3 1439 B6R0.3 O=CC(C(C)C)C 1P002LJ1 [1,1,0,0,0,0|1,0,0]=3 1440 B6R0.3 OCC(N(C)C)C 1P00AQ1A [1,1,0,0,0,0|0,0,2]=4 1441 B6R0.3 OC[C@@H](N(C)C)C 1P01B9AP [1,1,0,0,0,0|0,0,2]=4 1442 B6R0.3 OC[C@H](N(C)C)C 1P01B9AO [1,1,0,0,0,0|0,0,2]=4 1443 B6R0.3 SC[C@H](N(C)C)C 1P01BADR [1,1,0,0,0,0|0,1,1]=4 1444 B6R0.3 [O-]C(=O)C(CC)O 1P00DA6V [1,1,0,0,0,0|2,0,0]=4 1445 B6R0.3 [O-]C(=O)C(OC)F 1P01BFBH [1,1,0,0,0,0|2,0,0]=4 1446 B6R0.4 BrCCCC(=O)C 1P003N1I [1,1,0,0,0,0|2,0,0]=4 1447 B6R0.4 BrCCCC(=O)Cl 1P0034F2 [1,1,0,0,0,0|2,0,0]=4 1448 B6R0.4 BrCCCC(=O)O 1P002SV1 [1,1,0,0,0,0|2,0,0]=4 1449 B6R0.4 BrCCCN(C)C 1P00343K [1,1,0,0,0,0|1,0,1]=4 1450 B6R0.4 C#CCCN(C)C 1P019SKZ [1,1,0,0,0,0|1,0,1]=4 1451 B6R0.4 C(CCC#C)(=O)N 1P01FWYV [1,1,0,0,0,0|1,0,1]=4 1452 B6R0.4 C=CCCC(=O)N 1P005PYG [1,1,0,0,0,0|1,0,1]=4 1453 B6R0.4 C=CCNC(C)C 1P00J27D [1,1,0,0,0,0|2,0,0]=4 1454 B6R0.4 C=CCNC(C)C 1P019WIN [1,1,0,0,0,0|2,0,0]=4 1455 B6R0.4 C=COCC(C)C 1P003RJN [1,1,0,0,0,0|2,0,0]=4 1456 B6R0.4 C=COCC(C)C 1P01B5NC [1,1,0,0,0,0|2,0,0]=4 1457 B6R0.4 CC(CON=O)C 1P003RJX [1,1,0,0,0,0|2,0,0]=4 1458 B6R0.4 CCCCC(=N)N 1P0024GH [1,1,0,0,0,0|2,0,0]=4 1459 B6R0.4 CCCCC(=N)N 1P008RZF [1,1,0,0,0,0|2,0,0]=4 1460 B6R0.4 CCCCC(=O)Br 1P002HYG [1,1,0,0,0,0|2,0,0]=4 1461 B6R0.4 CCCCC(=O)Cl 1P003698 [1,1,0,0,0,0|2,0,0]=4 1462 B6R0.4 CCCCC(=O)N 1P0035X7 [1,1,0,0,0,0|1,0,0]=3 1463 B6R0.4 CCCCC(=O)O 1P003696 [1,1,0,0,0,0|2,0,0]=4 1464 B6R0.4 CCCCC(=O)[O-] 1P003697 [1,1,0,0,0,0|2,0,0]=4 1465 B6R0.4 CCCCC(=S)N 1P001WK5 [1,1,0,0,0,0|1,1,0]=4 1466 B6R0.4 CCCNC(=N)N 1P019ZHR [1,1,0,0,0,0|2,0,0]=4 1467 B6R0.4 CCCNC(=O)C 1P003SVI [1,1,0,0,0,0|2,0,0]=4 1468 B6R0.4 CCCNC(=O)Cl 1P00D7IN [1,1,0,0,0,0|2,0,0]=4 1469 B6R0.4 CCCNC(=O)N 1P003TSP [1,1,0,0,0,0|1,0,0]=3 1470 B6R0.4 CCCNC(=S)N 1P003SVK [1,1,0,0,0,0|1,1,0]=4 1471 B6R0.4 CCCOC(=O)F 1P01B7MD [1,1,0,0,0,0|2,0,0]=4 1472 B6R0.4 CCCOC(=O)N 1P00EB3O [1,1,0,0,0,0|1,0,0]=3 1473 B6R0.4 CCCSC(=O)C 1P002MLH [1,1,0,0,0,0|2,0,0]=4 1474 B6R0.4 CCNCC(=C)C 1P0027XL [1,1,0,0,0,0|2,0,0]=4 1475 B6R0.4 CCNCC(=O)C 1P01AMEX [1,1,0,0,0,0|1,0,0]=3 1476 B6R0.4 CCNCC(=O)N 1P01BDEX [1,1,0,0,0,0|0,0,0]=2 1477 B6R0.4 CCNCC(=O)O 1P003TH0 [1,1,0,0,0,0|1,0,0]=3 1478 B6R0.4 CCNCC(=O)O 1P00DUFI [1,1,0,0,0,0|1,0,0]=3 1479 B6R0.4 CCNC[C@H](N)C 1P028Q5V [1,1,0,0,0,0|1,0,1]=4 1480 B6R0.4 CCOCC(=N)N 1P00J21O [1,1,0,0,0,0|2,0,0]=4 1481 B6R0.4 CCOCC(=O)C 1P001LKY [1,1,0,0,0,0|2,0,0]=4 1482 B6R0.4 CCOCC(=O)Cl 1P001D7O [1,1,0,0,0,0|2,0,0]=4 1483 B6R0.4 CCOCC(=O)O 1P0033R4 [1,1,0,0,0,0|2,0,0]=4 1484 B6R0.4 CCOCC(=S)N 1P01A31O [1,1,0,0,0,0|1,1,0]=4 1485 B6R0.4 CCSCC(=O)C 1P003CHU [1,1,0,0,0,0|2,0,0]=4 1486 B6R0.4 CCSCC(=O)O 1P003BF5 [1,1,0,0,0,0|2,0,0]=4 1487 B6R0.4 CNCCC(=O)C 1P01A3QD [1,1,0,0,0,0|1,0,0]=3 1488 B6R0.4 CNCCC(=O)N 1P003IPF [1,1,0,0,0,0|0,0,0]=2 1489 B6R0.4 CNCCC(=O)N 1P00J2D0 [1,1,0,0,0,0|0,0,0]=2 1490 B6R0.4 CNCCC(=O)O 1P003IPE [1,1,0,0,0,0|1,0,0]=3 1491 B6R0.4 CNCCC(=O)O 1P00IBZR [1,1,0,0,0,0|1,0,0]=3 1492 B6R0.4 CNCCC(C)C 1P00BI9Z [1,1,0,0,0,0|1,0,1]=4 1493 B6R0.4 CNCCN(C)C 1P0038K8 [1,1,0,0,0,0|0,0,1]=3 1494 B6R0.4 CNCCN(C)C 1P00C6RX [1,1,0,0,0,0|0,0,1]=3 1495 B6R0.4 CNCC[C@@H](N)C 1P028V65 [1,1,0,0,0,0|1,0,1]=4 1496 B6R0.4 CNCC[C@H](N)C 1P028XAD [1,1,0,0,0,0|1,0,1]=4 1497 B6R0.4 COCCC(=N)N 1P005M9X [1,1,0,0,0,0|2,0,0]=4 1498 B6R0.4 COCCC(=N)N 1P00J1TY [1,1,0,0,0,0|2,0,0]=4 1499 B6R0.4 COCCC(=O)C 1P005IHL [1,1,0,0,0,0|2,0,0]=4 1500 B6R0.4 COCCC(=O)Cl 1P0072PJ [1,1,0,0,0,0|2,0,0]=4 1501 B6R0.4 COCCC(=O)N 1P007GOX [1,1,0,0,0,0|1,0,0]=3 1502 B6R0.4 COCCC(=O)O 1P003K4N [1,1,0,0,0,0|2,0,0]=4 1503 B6R0.4 COCCC(=S)N 1P019V93 [1,1,0,0,0,0|1,1,0]=4 1504 B6R0.4 COCCN(C)C 1P00300X [1,1,0,0,0,0|0,0,2]=4 1505 B6R0.4 COCCN(C)C 1P0282L6 [1,1,0,0,0,0|0,0,2]=4 1506 B6R0.4 COCOC(=O)C 1P00DMRV [1,1,0,0,0,0|2,0,0]=4 1507 B6R0.4 CONCC(=O)O 1P028RHG [1,1,0,0,0,0|1,0,0]=3 1508 B6R0.4 CSCCC(=N)N 1P00J2XD [1,1,0,0,0,0|2,0,0]=4 1509 B6R0.4 CSCCC(=O)C 1P003M9K [1,1,0,0,0,0|2,0,0]=4 1510 B6R0.4 CSCCC(=O)Cl 1P003IQ2 [1,1,0,0,0,0|2,0,0]=4 1511 B6R0.4 CSCCC(=O)N 1P006Y1B [1,1,0,0,0,0|1,0,0]=3 1512 B6R0.4 CSCCN(C)C 1P01HHYC [1,1,0,0,0,0|0,1,1]=4 1513 B6R0.4 CSCOC(=O)C 1P001VB8 [1,1,0,0,0,0|2,0,0]=4 1514 B6R0.4 CSSCC(=O)O 1P01A6D5 [1,1,0,0,0,0|2,0,0]=4 1515 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [1,1,0,0,0,0|2,0,0]=4 1516 B6R0.4 C\C=N\NC(=O)N 1P003O30 [1,1,0,0,0,0|1,0,1]=4 1517 B6R0.4 ClCCCC(=O)C 1P0034PM [1,1,0,0,0,0|2,0,0]=4 1518 B6R0.4 ClCCCC(=O)Cl 1P0034GN [1,1,0,0,0,0|2,0,0]=4 1519 B6R0.4 ClCCCC(=O)N 1P00C2BS [1,1,0,0,0,0|1,0,0]=3 1520 B6R0.4 ClCCCC(=O)O 1P003LNQ [1,1,0,0,0,0|2,0,0]=4 1521 B6R0.4 ClCCCN(C)C 1P00345J [1,1,0,0,0,0|1,0,1]=4 1522 B6R0.4 ClCCCN(C)C 1P008RT5 [1,1,0,0,0,0|1,0,1]=4 1523 B6R0.4 FCCCC(=O)O 1P00DWFR [1,1,0,0,0,0|2,0,0]=4 1524 B6R0.4 ICCCC(=O)C 1P01I085 [1,1,0,0,0,0|2,0,0]=4 1525 B6R0.4 ICCCC(=O)O 1P003M1J [1,1,0,0,0,0|2,0,0]=4 1526 B6R0.4 ICCCN(C)C 1P028ICM [1,1,0,0,0,0|1,0,1]=4 1527 B6R0.4 N#CCCC(=O)N 1P00ECYT [1,1,0,0,0,0|1,0,1]=4 1528 B6R0.4 N#CCCN(C)C 1P001ZNY [1,1,0,0,0,0|0,0,2]=4 1529 B6R0.4 N#CCCN(C)C 1P019NX8 [1,1,0,0,0,0|0,0,2]=4 1530 B6R0.4 N#C\C=C\N(C)C 1P003IOH [1,1,0,0,0,0|0,0,2]=4 1531 B6R0.4 NC(=O)CN=C=S 1P01AA58 [1,1,0,0,0,0|0,0,2]=4 1532 B6R0.4 NC(=O)NCC#C 1P00DD21 [1,1,0,0,0,0|1,0,1]=4 1533 B6R0.4 NC(=O)NCC#N 1P00ES0P [1,1,0,0,0,0|2,0,0]=4 1534 B6R0.4 NC(=O)NCC=C 1P003O7H [1,1,0,0,0,0|1,0,1]=4 1535 B6R0.4 NC(=O)NCCCl 1P003HJ6 [1,1,0,0,0,0|2,0,0]=4 1536 B6R0.4 NC(=O)NCCF 1P001ALC [1,1,0,0,0,0|2,0,0]=4 1537 B6R0.4 NC(=O)OCC#C 1P001XVZ [1,1,0,0,0,0|1,0,1]=4 1538 B6R0.4 NC(=O)OCC=C 1P00BJVU [1,1,0,0,0,0|1,0,1]=4 1539 B6R0.4 NC(=O)OCCCl 1P002LSQ [1,1,0,0,0,0|2,0,0]=4 1540 B6R0.4 NC(=O)OCCO 1P0033TG [1,1,0,0,0,0|2,0,0]=4 1541 B6R0.4 NCCC=C(C)C 1P01BDB7 [1,1,0,0,0,0|1,0,1]=4 1542 B6R0.4 NCCCC(=N)N 1P01ELZE [1,1,0,0,0,0|2,0,0]=4 1543 B6R0.4 NCCCC(=O)N 1P000UR1 [1,1,0,0,0,0|1,0,0]=3 1544 B6R0.4 NCCCC(=O)O 1P003L7U [1,1,0,0,0,0|2,0,0]=4 1545 B6R0.4 NCCCC(C)C 1P019M52 [1,1,0,0,0,0|1,0,1]=4 1546 B6R0.4 NCCCC(C)C 1P01A91F [1,1,0,0,0,0|1,0,1]=4 1547 B6R0.4 NCCCN(C)C 1P00345I [1,1,0,0,0,0|0,0,1]=3 1548 B6R0.4 NCCCN(C)C 1P01FNUW [1,1,0,0,0,0|0,0,1]=3 1549 B6R0.4 NCCNC(=O)N 1P00G2PY [1,1,0,0,0,0|2,0,0]=4 1550 B6R0.4 NCCNC(=O)N 1P01B2YB [1,1,0,0,0,0|2,0,0]=4 1551 B6R0.4 NCCNC(C)C 1P003TLF [1,1,0,0,0,0|1,0,1]=4 1552 B6R0.4 NCCNC(C)C 1P01EKI8 [1,1,0,0,0,0|1,0,1]=4 1553 B6R0.4 NCCOC(=O)N 1P01A50O [1,1,0,0,0,0|2,0,0]=4 1554 B6R0.4 NCCOC(C)C 1P000C7A [1,1,0,0,0,0|1,0,1]=4 1555 B6R0.4 NCCOC(C)C 1P003GZZ [1,1,0,0,0,0|1,0,1]=4 1556 B6R0.4 NCCSC(C)C 1P01BBH9 [1,1,0,0,0,0|1,0,1]=4 1557 B6R0.4 NC\C=C\C(=O)N 1P028GOU [1,1,0,0,0,0|1,0,1]=4 1558 B6R0.4 NNCCC(C)C 1P009GQD [1,1,0,0,0,0|1,0,1]=4 1559 B6R0.4 NNCCC(C)C 1P019ND9 [1,1,0,0,0,0|1,0,1]=4 1560 B6R0.4 NNCCN(C)C 1P0021FB [1,1,0,0,0,0|0,0,1]=3 1561 B6R0.4 NNCCN(C)C 1P00EJTL [1,1,0,0,0,0|0,0,1]=3 1562 B6R0.4 NOCCC(C)C 1P01EKGD [1,1,0,0,0,0|1,0,1]=4 1563 B6R0.4 NOCCN(C)C 1P01C3T9 [1,1,0,0,0,0|0,0,1]=3 1564 B6R0.4 O=CC=CN(C)C 1P005KZD [1,1,0,0,0,0|0,0,1]=3 1565 B6R0.4 O=CCCC(=O)C 1P00F3IL [1,1,0,0,0,0|2,0,0]=4 1566 B6R0.4 O=CCCC(C)C 1P0038PE [1,1,0,0,0,0|1,0,0]=3 1567 B6R0.4 O=CNCC(=O)O 1P002QBB [1,1,0,0,0,0|1,0,1]=4 1568 B6R0.4 O=C\C=C\C(C)C 1P002OTI [1,1,0,0,0,0|1,0,1]=4 1569 B6R0.4 O=C\C=C\N(C)C 1P003JTX [1,1,0,0,0,0|0,0,1]=3 1570 B6R0.4 OCCCC(=N)N 1P01AD82 [1,1,0,0,0,0|2,0,0]=4 1571 B6R0.4 OCCCC(=O)C 1P0034QX [1,1,0,0,0,0|2,0,0]=4 1572 B6R0.4 OCCCC(=O)N 1P006EUD [1,1,0,0,0,0|1,0,0]=3 1573 B6R0.4 OCCCN(C)C 1P00I6HH [1,1,0,0,0,0|0,0,2]=4 1574 B6R0.4 SCCCC(=O)O 1P000VMF [1,1,0,0,0,0|2,0,0]=4 1575 B6R0.4 SCCCN(C)C 1P00C8D7 [1,1,0,0,0,0|0,1,1]=4 1576 B6R0.4 [N-]=[N+]=NCC(=O)N 1P0023FL [1,1,0,0,0,0|1,0,1]=4 1577 B6R0.4 [O-]C(=O)CNCO 1P003725 [1,1,0,0,0,0|1,0,0]=3 1578 B6R0.5 C=CCC(C)(C)C 1P003KWD [1,1,0,0,0,0|2,0,0]=4 1579 B6R0.5 C=CCC(O)(C)C 1P00ECQ0 [1,1,0,0,0,0|2,0,0]=4 1580 B6R0.5 C=CCP(=O)(C)C 1P028TVF [1,1,0,0,0,0|1,1,0]=4 1581 B6R0.5 C=CC[N+](C)(C)C 1P001NWH [1,1,0,0,0,0|1,0,1]=4 1582 B6R0.5 C=CC[Si](C)(C)C 1P0034WR [1,1,0,0,0,0|2,0,0]=4 1583 B6R0.5 CCCS(=O)(=O)N 1P007OF1 [1,1,0,0,0,0|2,0,0]=4 1584 B6R0.5 CNCP(=O)(C)C 1P028CUR [1,1,0,0,0,0|2,0,0]=4 1585 B6R0.5 NCCC(C)(C)C 1P001PEZ [1,1,0,0,0,0|1,0,1]=4 1586 B6R0.5 NCCC(C)(C)C 1P003112 [1,1,0,0,0,0|1,0,1]=4 1587 B6R0.5 NCCC(F)(C)C 1P019F7T [1,1,0,0,0,0|1,0,1]=4 1588 B6R0.5 NCCC(N)(C)C 1P01ANA1 [1,1,0,0,0,0|1,0,1]=4 1589 B6R0.5 NCCC(O)(C)C 1P00BGMA [1,1,0,0,0,0|1,0,1]=4 1590 B6R0.5 NCCP(=O)(C)C 1P028ZI9 [1,1,0,0,0,0|0,1,1]=4 1591 B6R0.5 NCC[N+](C)(C)C 1P003C29 [1,1,0,0,0,0|0,0,2]=4 1592 B6R0.5 NCC[Si](C)(C)C 1P0023BF [1,1,0,0,0,0|1,0,1]=4 1593 B6R0.5 NNCC(C)(C)C 1P00J2YO [1,1,0,0,0,0|2,0,0]=4 1594 B6R0.5 NNCC(F)(C)C 1P01C5R4 [1,1,0,0,0,0|2,0,0]=4 1595 B6R0.5 NNCC(N)(C)C 1P028CG2 [1,1,0,0,0,0|2,0,0]=4 1596 B6R0.5 NNCC(O)(C)C 1P01BVIC [1,1,0,0,0,0|2,0,0]=4 1597 B6R0.5 NOCC(C)(C)C 1P00AKVL [1,1,0,0,0,0|2,0,0]=4 1598 B6R0.5 NOCC(C)(C)C 1P028JVC [1,1,0,0,0,0|2,0,0]=4 1599 B6R0.5 NOCC(O)(C)C 1P01BFN5 [1,1,0,0,0,0|2,0,0]=4 1600 B6R0.5 O=CCC(C)(C)C 1P0033YD [1,1,0,0,0,0|1,0,0]=3 1601 B6R0.5 O=CCC(F)(F)C 1P027N7J [1,1,0,0,0,0|2,0,0]=4 1602 B6R0.5 O=CC[N+](C)(C)C 1P005H63 [1,1,0,0,0,0|0,0,1]=3 1603 B6R0.5 O=CC[N+](C)(C)C 1P006738 [1,1,0,0,0,0|0,0,1]=3 1604 B6R0.5 O=CNC(C)(C)C 1P003TU0 [1,1,0,0,0,0|2,0,0]=4 1605 B6R0.7 BrC(=O)C(Br)(C)C 1P002JOT [0,1,0,0,1,0|2,0,0]=4 1606 B6R0.7 CC(=O)C(Br)(C)C 1P002TV2 [0,1,0,0,1,0|2,0,0]=4 1607 B6R0.7 CC(=O)C(Cl)(C)C 1P00EDWH [0,1,0,0,1,0|2,0,0]=4 1608 B6R0.7 CC(=O)C(F)(C)C 1P01DW0X [0,1,0,0,1,0|2,0,0]=4 1609 B6R0.7 CC(=O)C(N)(C)C 1P0006SC [0,1,0,0,1,0|2,0,0]=4 1610 B6R0.7 CC(=O)C(O)(C)C 1P000G0I [0,1,0,0,1,0|2,0,0]=4 1611 B6R0.7 CC(=O)[Si](C)(C)C 1P007N0S [0,1,0,0,1,0|2,0,0]=4 1612 B6R0.7 CC(S(=O)(=O)N)C 1P0035IV [0,1,0,0,1,0|2,0,0]=4 1613 B6R0.7 CC(S(=O)N)(C)C 1P00HXYB [0,1,0,0,1,0|2,0,0]=4 1614 B6R0.7 CC([S@@](=O)N)(C)C 1P0032UP [0,1,0,0,1,0|2,0,0]=4 1615 B6R0.7 CC([S@](=O)N)(C)C 1P0032WC [0,1,0,0,1,0|2,0,0]=4 1616 B6R0.7 CN(P(=O)(Cl)Cl)C 1P003T28 [0,1,0,0,1,0|2,0,0]=4 1617 B6R0.7 CN(S(=O)(=N)C)C 1P01C5XC [0,1,0,0,1,0|1,0,1]=4 1618 B6R0.7 CN(S(=O)(=N)N)C 1P01FKZD [0,1,0,0,1,0|1,0,0]=3 1619 B6R0.7 CN(S(=O)(=O)C)C 1P003T20 [0,1,0,0,1,0|2,0,0]=4 1620 B6R0.7 CN(S(=O)(=O)Cl)C 1P00358F [0,1,0,0,1,0|2,0,0]=4 1621 B6R0.7 CN(S(=O)(=O)F)C 1P00CVIH [0,1,0,0,1,0|2,0,0]=4 1622 B6R0.7 CN(S(=O)(=O)N)C 1P00BYCF [0,1,0,0,1,0|1,0,0]=3 1623 B6R0.7 ClC(=O)C(Br)(C)C 1P002A40 [0,1,0,0,1,0|2,0,0]=4 1624 B6R0.7 ClC(=O)C(Cl)(C)C 1P0010VD [0,1,0,0,1,0|2,0,0]=4 1625 B6R0.7 ClC(=O)C(F)(C)C 1P01UOTK [0,1,0,0,1,0|2,0,0]=4 1626 B6R0.7 NC(=N)C(C)(C)C 1P0023R9 [0,1,0,0,1,0|2,0,0]=4 1627 B6R0.7 NC(=N)C(F)(C)C 1P028Y78 [0,1,0,0,1,0|2,0,0]=4 1628 B6R0.7 NC(=N)C(N)(C)C 1P01AD9F [0,1,0,0,1,0|2,0,0]=4 1629 B6R0.7 NC(=N)C(O)(C)C 1P00CZ51 [0,1,0,0,1,0|2,0,0]=4 1630 B6R0.7 NC(=O)C(Br)(C)C 1P005B2L [0,1,0,0,1,0|1,0,0]=3 1631 B6R0.7 NC(=O)C(C)(C)C 1P0035YI [0,1,0,0,1,0|1,0,0]=3 1632 B6R0.7 NC(=O)C(Cl)(C)C 1P01A2I6 [0,1,0,0,1,0|1,0,0]=3 1633 B6R0.7 NC(=O)C(F)(F)C 1P00DBUC [0,1,0,0,1,0|2,0,0]=4 1634 B6R0.7 NC(=O)C(N)(C)C 1P001TOY [0,1,0,0,1,0|1,0,0]=3 1635 B6R0.7 NC(=O)C(N)(C)C 1P00AUNH [0,1,0,0,1,0|1,0,0]=3 1636 B6R0.7 NC(=O)C(O)(C)C 1P000UO8 [0,1,0,0,1,0|1,0,0]=3 1637 B6R0.7 NC(=S)C(C)(C)C 1P0037DV [0,1,0,0,1,0|1,1,0]=4 1638 B6R0.7 NC(=S)C(N)(C)C 1P027W11 [0,1,0,0,1,0|1,1,0]=4 1639 B6R0.7 OC(=O)C(Br)(C)C 1P002AEN [0,1,0,0,1,0|2,0,0]=4 1640 B6R0.7 OC(=O)C(C)(C)C 1P0035YJ [0,1,0,0,1,0|2,0,0]=4 1641 B6R0.7 OC(=O)C(Cl)(C)C 1P00EI2W [0,1,0,0,1,0|2,0,0]=4 1642 B6R0.7 OC(=O)C(F)(C)C 1P00EBJZ [0,1,0,0,1,0|2,0,0]=4 1643 B6R0.7 OC(=O)C(N)(C)C 1P003GTA [0,1,0,0,1,0|2,0,0]=4 1644 B6R0.7 OC(=O)C(O)(C)C 1P00369V [0,1,0,0,1,0|2,0,0]=4 1645 B6R0.7 OC(=O)C(S)(C)C 1P00DE8V [0,1,0,0,1,0|2,0,0]=4 1646 B6R0.7 [O-]C(=O)C(C)(C)C 1P001QJO [0,1,0,0,1,0|2,0,0]=4 1647 B6R0.7 [O-]C(=O)C(C)(C)C 1P00362K [0,1,0,0,1,0|2,0,0]=4 1648 B6R0.7 [O-]C(=O)C(C)(C)C 1P003P88 [0,1,0,0,1,0|2,0,0]=4 1649 B6R0.7 [O-]C(=O)C(C)(C)C 1P003TZZ [0,1,0,0,1,0|2,0,0]=4 1650 B6R0.7 [O-]C(=O)C(C)(C)C 1P003UV1 [0,1,0,0,1,0|2,0,0]=4 1651 B6R0.7 [O-]C(=O)C(C)(C)C 1P00AN4U [0,1,0,0,1,0|2,0,0]=4 1652 B6R0.7 [O-]C(=O)C(C)(C)C 1P01XD1A [0,1,0,0,1,0|2,0,0]=4 1653 B8R0.9 BrCC(=O)NCC(C)C 1P00661C [0,1,0,0,0,1|2,0,0]=4 1654 B8R0.9 BrCC(=O)OCC(C)C 1P00EZN9 [0,1,0,0,0,1|2,0,0]=4 1655 B8R0.9 C=CC(=O)CCC(C)C 1P028WMT [0,1,0,0,0,1|2,0,0]=4 1656 B8R0.9 CC(=O)NCC(=O)CN 1P028FJB [0,1,0,0,0,1|2,0,0]=4 1657 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,1,0,0,0,1|2,0,0]=4 1658 B8R0.9 CC(CC)COC(=O)Cl 1P0029RF [0,1,0,0,0,1|2,0,0]=4 1659 B8R0.9 CC(CCC(=NO)N)C 1P019V0J [0,1,0,0,0,1|1,0,1]=4 1660 B8R0.9 CC(CN)CCC(=O)O 1P01A3KI [0,1,0,0,0,1|2,0,0]=4 1661 B8R0.9 CC(CN)CNC(=O)C 1P009FP3 [0,1,0,0,0,1|2,0,0]=4 1662 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,1,0,0,0,1|2,0,0]=4 1663 B8R0.9 CC(OC)CCC(=O)O 1P01A6MQ [0,1,0,0,0,1|2,0,0]=4 1664 B8R0.9 CC(OCC(=NO)N)C 1P019V7J [0,1,0,0,0,1|1,0,1]=4 1665 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,1,0,0,0,1|2,0,0]=4 1666 B8R0.9 CC(SC)CCC(=O)O 1P01A4ZX [0,1,0,0,0,1|2,0,0]=4 1667 B8R0.9 CCC(=O)NCC(C)C 1P00EKOT [0,1,0,0,0,1|2,0,0]=4 1668 B8R0.9 CCC(CCC(=O)C)C 1P0023WR [0,1,0,0,0,1|2,0,0]=4 1669 B8R0.9 CCC(COC(=O)C)C 1P003I5L [0,1,0,0,0,1|2,0,0]=4 1670 B8R0.9 CN(CC)CCC(=O)O 1P00J2A1 [0,1,0,0,0,1|1,0,0]=3 1671 B8R0.9 CNC(=O)CCC(N)C 1P01AG91 [0,1,0,0,0,1|2,0,0]=4 1672 B8R0.9 CNC(=O)CCC(O)C 1P01AC1S [0,1,0,0,0,1|2,0,0]=4 1673 B8R0.9 COC(=O)C=CN(C)C 1P00IKTF [0,1,0,0,0,1|1,0,1]=4 1674 B8R0.9 COC(=O)CCC(=O)N 1P0035PS [0,1,0,0,0,1|2,0,0]=4 1675 B8R0.9 COC(=O)CCN(C)C 1P003S6H [0,1,0,0,0,1|1,0,0]=3 1676 B8R0.9 COC(=O)CNC(C)C 1P019NPT [0,1,0,0,0,1|2,0,0]=4 1677 B8R0.9 COC(=O)COC(C)C 1P00254F [0,1,0,0,0,1|2,0,0]=4 1678 B8R0.9 COC(=O)\C=C\N(C)C 1P002J1R [0,1,0,0,0,1|1,0,1]=4 1679 B8R0.9 COC(COC(=O)C)C 1P00FERJ [0,1,0,0,0,1|2,0,0]=4 1680 B8R0.9 C\C(=C/CC(=O)O)\CC 1P00DKVF [0,1,0,0,0,1|2,0,0]=4 1681 B8R0.9 ClCC(=O)CCC(C)C 1P00BIFO [0,1,0,0,0,1|2,0,0]=4 1682 B8R0.9 ClCC(=O)COC(C)C 1P01IFX6 [0,1,0,0,0,1|2,0,0]=4 1683 B8R0.9 ClCC(=O)NCC(C)C 1P00CRQA [0,1,0,0,0,1|2,0,0]=4 1684 B8R0.9 NCC(=O)NCC(C)C 1P00AUNE [0,1,0,0,0,1|1,0,0]=3 1685 B8R0.9 NCC(CNC(=O)N)O 1P01FIBV [0,1,0,0,0,1|2,0,0]=4 1686 B8R0.9 NNC(=O)CCN(C)C 1P007OJA [0,1,0,0,0,1|0,0,0]=2 1687 B8R0.9 NNC(=O)NCC(C)C 1P019YAQ [0,1,0,0,0,1|1,0,0]=3 1688 B8R0.9 O=CN(CCN(C)C)C 1P003SPX [0,1,0,0,0,1|2,0,0]=4 1689 B8R0.9 ONC(=O)CCC(C)C 1P01AAXS [0,1,0,0,0,1|1,0,0]=3 1690 B8R0.9 [O-]C(=O)CCC(CO)C 1P0290FV [0,1,0,0,0,1|2,0,0]=4 1691 B8R0.23 BrC(C(=O)O)CC(C)C 1P003A9V [0,1,0,0,0,1|2,0,0]=4 1692 B8R0.23 Br[C@@H](C(=O)O)CC(C)C 1P01DJ3Z [0,1,0,0,0,1|2,0,0]=4 1693 B8R0.23 Br[C@H](C(=O)O)CC(C)C 1P00C23F [0,1,0,0,0,1|2,0,0]=4 1694 B8R0.23 CC(=O)C=C(N(C)C)C 1P003AUS [0,1,0,0,0,1|1,0,1]=4 1695 B8R0.23 CC(=O)CC(=O)C(C)C 1P00FDL6 [0,1,0,0,0,1|2,0,0]=4 1696 B8R0.23 CC(=O)CC(=O)N(C)C 1P0029Y4 [0,1,0,0,0,1|1,0,0]=3 1697 B8R0.23 CC(=O)CN(C(C)C)C 1P00J2BX [0,1,0,0,0,1|2,0,0]=4 1698 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [0,1,0,0,0,1|2,0,0]=4 1699 B8R0.23 CC(C(=O)O)CN(C)C 1P00J2B5 [0,1,0,0,0,1|1,0,0]=3 1700 B8R0.23 CC(C(=O)O)NC(C)C 1P019VK1 [0,1,0,0,0,1|2,0,0]=4 1701 B8R0.23 CC(C(=O)O)OC(C)C 1P005FR1 [0,1,0,0,0,1|2,0,0]=4 1702 B8R0.23 CC(C(=O)O)SC(C)C 1P019NSY [0,1,0,0,0,1|2,0,0]=4 1703 B8R0.23 CC(C(C)C)CC(=O)O 1P00C0MG [0,1,0,0,0,1|2,0,0]=4 1704 B8R0.23 CC(CC(=C)C(=O)C)C 1P008UR2 [0,1,0,0,0,1|2,0,0]=4 1705 B8R0.23 CC(CC(=C)C(=O)O)C 1P002QQ0 [0,1,0,0,0,1|2,0,0]=4 1706 B8R0.23 CC(CC(=O)C(=O)O)C 1P003M6Z [0,1,0,0,0,1|2,0,0]=4 1707 B8R0.23 CC(CC(=O)C(=O)[O-])C 1P00361Y [0,1,0,0,0,1|2,0,0]=4 1708 B8R0.23 CC(CC(=O)C(=O)[O-])C 1P003P44 [0,1,0,0,0,1|2,0,0]=4 1709 B8R0.23 CC(CC(C(=O)C)C)C 1P01E7KG [0,1,0,0,0,1|2,0,0]=4 1710 B8R0.23 CC(CN(C(=N)N)C)C 1P01B6WW [0,1,0,0,0,1|2,0,0]=4 1711 B8R0.23 CC(CN(C(=O)Cl)C)C 1P01BI26 [0,1,0,0,0,1|2,0,0]=4 1712 B8R0.23 CC(N(C)C)CC(=O)O 1P00GNQF [0,1,0,0,0,1|1,0,0]=3 1713 B8R0.23 CC(N(CC(=O)O)C)C 1P008VQP [0,1,0,0,0,1|2,0,0]=4 1714 B8R0.23 CC(N(CC(=O)O)C)C 1P019X3X [0,1,0,0,0,1|2,0,0]=4 1715 B8R0.23 CN(C(=N)NC(=N)N)C 1P003RY6 [0,1,0,0,0,1|1,0,1]=4 1716 B8R0.23 CN(C(=N)NC(=N)N)C 1P01923D [0,1,0,0,0,1|1,0,1]=4 1717 B8R0.23 CN(C(=N)NC(=O)N)C 1P01EGJK [0,1,0,0,0,1|0,0,1]=3 1718 B8R0.23 CN(C(=O)CC(=O)O)C 1P019SXG [0,1,0,0,0,1|1,0,0]=3 1719 B8R0.23 CN(CC(=C)C(=O)O)C 1P00DDT5 [0,1,0,0,0,1|1,0,0]=3 1720 B8R0.23 CN(CC(C(N)C)C)C 1P00CS38 [0,1,0,0,0,1|1,0,1]=4 1721 B8R0.23 C[C@@H](N(C)C)CC(=O)O 1P0284HT [0,1,0,0,0,1|1,0,0]=3 1722 B8R0.23 C[C@H](N(C)C)CC(=O)O 1P027W5B [0,1,0,0,0,1|1,0,0]=3 1723 B8R0.23 Cl[C@H](C(=O)O)CC(C)C 1P002WHA [0,1,0,0,0,1|2,0,0]=4 1724 B8R0.23 FC(C(=O)O)CC(C)C 1P01DWZS [0,1,0,0,0,1|2,0,0]=4 1725 B8R0.23 NC(C(=O)N)CC(C)C 1P000VF5 [0,1,0,0,0,1|1,0,0]=3 1726 B8R0.23 NC(C(=O)N)CC(C)C 1P007HDG [0,1,0,0,0,1|1,0,0]=3 1727 B8R0.23 NC(C(=O)O)CC(C)C 1P003QAO [0,1,0,0,0,1|2,0,0]=4 1728 B8R0.23 NC(C(C)C)CC(=O)O 1P00382D [0,1,0,0,0,1|2,0,0]=4 1729 B8R0.23 NC(C(C)C)CC(=O)O 1P00IWGX [0,1,0,0,0,1|2,0,0]=4 1730 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P001RHC [0,1,0,0,0,1|1,0,0]=3 1731 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P00G3EY [0,1,0,0,0,1|1,0,0]=3 1732 B8R0.23 N[C@@H](C(=O)O)CC(C)C 1P007J6D [0,1,0,0,0,1|2,0,0]=4 1733 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P006Z1W [0,1,0,0,0,1|2,0,0]=4 1734 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P00G3E9 [0,1,0,0,0,1|2,0,0]=4 1735 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P003RT5 [0,1,0,0,0,1|1,0,0]=3 1736 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P006HSO [0,1,0,0,0,1|1,0,0]=3 1737 B8R0.23 N[C@H](C(=O)O)CC(C)C 1P00F3FK [0,1,0,0,0,1|2,0,0]=4 1738 B8R0.23 N[C@H](C(=O)O)CN(C)C 1P0004TN [0,1,0,0,0,1|1,0,0]=3 1739 B8R0.23 N[C@H](C(=O)O)CN(C)C 1P00C92A [0,1,0,0,0,1|1,0,0]=3 1740 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C07B [0,1,0,0,0,1|2,0,0]=4 1741 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C7Q3 [0,1,0,0,0,1|2,0,0]=4 1742 B8R0.23 OC(=O)CC(=C(C)C)C 1P00B50T [0,1,0,0,0,1|2,0,0]=4 1743 B8R0.23 OC(C(=O)O)CC(C)C 1P003HV8 [0,1,0,0,0,1|2,0,0]=4 1744 B8R0.23 OC(C(=O)O)CN(C)C 1P009R7U [0,1,0,0,0,1|1,0,0]=3 1745 B8R0.23 O[C@@H](C(=O)O)CC(C)C 1P00295B [0,1,0,0,0,1|2,0,0]=4 1746 B8R0.23 O[C@@H](C(C)C)CC(=O)O 1P005E7Z [0,1,0,0,0,1|2,0,0]=4 1747 B8R0.23 O[C@H](C(=O)O)CC(C)C 1P0013SV [0,1,0,0,0,1|2,0,0]=4 1748 B8R0.23 O[C@H](C(=O)O)CN(C)C 1P00A9SV [0,1,0,0,0,1|1,0,0]=3 1749 B8R0.23 O[C@H](C(C)C)CC(=O)O 1P01AG46 [0,1,0,0,0,1|2,0,0]=4 1750 B8R0.23 [15NH2][C@H](C(=O)O)CC(C)C 1P00EE4Y [0,1,0,0,0,1|2,0,0]=4 1751 B8R0.29 CC(=O)CCC(C)(C)C 1P007L85 [0,1,0,0,0,1|2,0,0]=4 1752 B8R0.29 CC(=O)CCC(O)(C)C 1P00743F [0,1,0,0,0,1|2,0,0]=4 1753 B8R0.29 CC(=O)CCP(=O)(C)C 1P028OE3 [0,1,0,0,0,1|1,1,0]=4 1754 B8R0.29 CC(=O)COC(C)(C)C 1P01HOW4 [0,1,0,0,0,1|2,0,0]=4 1755 B8R0.29 CC(=O)CSC(C)(C)C 1P01ABIT [0,1,0,0,0,1|2,0,0]=4 1756 B8R0.29 CC(=O)NCC(O)(C)C 1P01BBLR [0,1,0,0,0,1|2,0,0]=4 1757 B8R0.29 CC(=O)OC[Si](C)(C)C 1P002Y0U [0,1,0,0,0,1|2,0,0]=4 1758 B8R0.29 CC(=O)SCC(C)(C)C 1P01BGOZ [0,1,0,0,0,1|2,0,0]=4 1759 B8R0.29 CC(CCS(=O)(=O)N)C 1P01AHV2 [0,1,0,0,0,1|2,0,0]=4 1760 B8R0.29 CN(CCC(N)(C)C)C 1P00H39H [0,1,0,0,0,1|1,0,1]=4 1761 B8R0.29 CN(CCC(N)(C)C)C 1P01EE3Y [0,1,0,0,0,1|1,0,1]=4 1762 B8R0.29 CN(CCS(=O)(=O)Cl)C 1P01A6QA [0,1,0,0,0,1|2,0,0]=4 1763 B8R0.29 CN(CCS(=O)(=O)N)C 1P005JFY [0,1,0,0,0,1|1,0,0]=3 1764 B8R0.29 CN(CCS(=O)(=O)O)C 1P00EM6R [0,1,0,0,0,1|2,0,0]=4 1765 B8R0.29 ClC(=O)COC(C)(C)C 1P01BARD [0,1,0,0,0,1|2,0,0]=4 1766 B8R0.29 ClC(=O)OCC(C)(C)C 1P0029RG [0,1,0,0,0,1|2,0,0]=4 1767 B8R0.29 NC(=N)CCC(C)(C)C 1P028NFX [0,1,0,0,0,1|2,0,0]=4 1768 B8R0.29 NC(=N)COC(C)(C)C 1P01ADAB [0,1,0,0,0,1|2,0,0]=4 1769 B8R0.29 NC(=O)CNC(C)(C)C 1P019ZGZ [0,1,0,0,0,1|1,0,0]=3 1770 B8R0.29 NC(=O)NCC(C)(C)C 1P019U5E [0,1,0,0,0,1|1,0,0]=3 1771 B8R0.29 NC(=O)NCC(N)(C)C 1P000HSP [0,1,0,0,0,1|1,0,0]=3 1772 B8R0.29 NC(=S)CCP(=O)(C)C 1P028HE3 [0,1,0,0,0,1|0,2,0]=4 1773 B8R0.29 NC(=S)CN=S(=O)(C)C 1P01BCM3 [0,1,0,0,0,1|1,1,0]=4 1774 B8R0.29 NC(=S)COC(C)(C)C 1P01CARR [0,1,0,0,0,1|1,1,0]=4 1775 B8R0.29 OC(=O)CCC(C)(C)C 1P008SUK [0,1,0,0,0,1|2,0,0]=4 1776 B8R0.29 OC(=O)CCC(F)(C)C 1P028N2G [0,1,0,0,0,1|2,0,0]=4 1777 B8R0.29 OC(=O)CCC(N)(C)C 1P00J22H [0,1,0,0,0,1|2,0,0]=4 1778 B8R0.29 OC(=O)CCC(S)(C)C 1P009D4O [0,1,0,0,0,1|2,0,0]=4 1779 B8R0.29 OC(=O)CCP(=O)(C)C 1P028OK0 [0,1,0,0,0,1|1,1,0]=4 1780 B8R0.29 OC(=O)CC[N+](C)(C)C 1P007RMM [0,1,0,0,0,1|1,0,1]=4 1781 B8R0.29 OC(=O)CC[Si](C)(C)C 1P00EB1H [0,1,0,0,0,1|2,0,0]=4 1782 B8R0.29 OC(=O)CN=S(=O)(C)C 1P00IWDT [0,1,0,0,0,1|2,0,0]=4 1783 B8R0.29 OC(=O)CNC(C)(C)C 1P003TTH [0,1,0,0,0,1|2,0,0]=4 1784 B8R0.29 OC(=O)CNC(C)(C)C 1P00E9LM [0,1,0,0,0,1|2,0,0]=4 1785 B8R0.29 OC(=O)COC(C)(C)C 1P0010OW [0,1,0,0,0,1|2,0,0]=4 1786 B8R0.29 OC(=O)COP(=O)(C)C 1P028VD5 [0,1,0,0,0,1|1,1,0]=4 1787 B8R0.29 OC(=O)CSC(C)(C)C 1P00BFTV [0,1,0,0,0,1|2,0,0]=4 1788 B8R0.29 [O-]C(=O)CCC(O)(C)C 1P01ADH8 [0,1,0,0,0,1|2,0,0]=4 1789 B8R0.2 BrCC(=O)C(=O)N(C)C 1P028YFH [0,2,0,0,0,0|1,0,1]=4 1790 B8R0.2 CC(C(=O)N)C(=O)OC 1P01EM5R [0,2,0,0,0,0|2,0,0]=4 1791 B8R0.2 CCC(C(C(=O)N)N)C 1P019JY6 [0,2,0,0,0,0|1,0,0]=3 1792 B8R0.2 CCC(C(C(=O)O)C)C 1P01A5ZZ [0,2,0,0,0,0|2,0,0]=4 1793 B8R0.2 CCC(C(C(=O)O)N)C 1P003QAL [0,2,0,0,0,0|2,0,0]=4 1794 B8R0.2 CCC(C(C(=O)O)O)C 1P00DK4X [0,2,0,0,0,0|2,0,0]=4 1795 B8R0.2 CCN(C(C(=O)O)C)C 1P0099M0 [0,2,0,0,0,0|1,0,0]=3 1796 B8R0.2 CC[C@@H]([C@@H](C(=O)N)N)C 1P0035K6 [0,2,0,0,0,0|1,0,0]=3 1797 B8R0.2 CC[C@@H]([C@@H](C(=O)N)N)C 1P01AKFX [0,2,0,0,0,0|1,0,0]=3 1798 B8R0.2 CC[C@@H]([C@@H](C(=O)O)Cl)C 1P003C5T [0,2,0,0,0,0|2,0,0]=4 1799 B8R0.2 CC[C@@H]([C@@H](C(=O)O)N)C 1P003RRA [0,2,0,0,0,0|2,0,0]=4 1800 B8R0.2 CC[C@@H]([C@@H](C(=O)O)O)C 1P00DCO0 [0,2,0,0,0,0|2,0,0]=4 1801 B8R0.2 CC[C@@H]([C@@H](C(=O)O)[15NH2])C 1P00EE50 [0,2,0,0,0,0|2,0,0]=4 1802 B8R0.2 CC[C@@H]([C@H](C(=O)O)N)C 1P001NEQ [0,2,0,0,0,0|2,0,0]=4 1803 B8R0.2 CC[C@@H]([C@H](C(=O)O)O)C 1P00657R [0,2,0,0,0,0|2,0,0]=4 1804 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C 1P001NER [0,2,0,0,0,0|2,0,0]=4 1805 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C 1P00I6IE [0,2,0,0,0,0|2,0,0]=4 1806 B8R0.2 CC[C@H]([C@H](C(=O)O)O)C 1P004MDO [0,2,0,0,0,0|2,0,0]=4 1807 B8R0.2 CNC(=O)C(C(=O)C)Cl 1P00C7VF [0,2,0,0,0,0|2,0,0]=4 1808 B8R0.2 CNC(=O)C(C(C)C)N 1P00AUNG [0,2,0,0,0,0|1,0,0]=3 1809 B8R0.2 CNC(=O)[C@@H](C(C)C)N 1P0280DW [0,2,0,0,0,0|1,0,0]=3 1810 B8R0.2 CNC(=O)[C@H](C(C)C)N 1P008G1W [0,2,0,0,0,0|1,0,0]=3 1811 B8R0.2 CNC(=O)[C@H](C(C)C)N 1P01BG50 [0,2,0,0,0,0|1,0,0]=3 1812 B8R0.2 CNC(=O)[C@H]([C@H](O)C)N 1P00B3K5 [0,2,0,0,0,0|2,0,0]=4 1813 B8R0.2 COC(=O)C(=O)N(C)C 1P01GL55 [0,2,0,0,0,0|1,0,1]=4 1814 B8R0.2 COC(=O)C(C(C)C)Br 1P002T8K [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.2 COC(=O)C(C(C)C)C 1P00BRKO [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.2 COC(=O)C(C(C)C)N 1P003QBG [0,2,0,0,0,0|2,0,0]=4 1817 B8R0.2 COC(=O)C(C(C)C)N 1P005I8Q [0,2,0,0,0,0|2,0,0]=4 1818 B8R0.2 COC(=O)C(C(C)C)O 1P00ASJS [0,2,0,0,0,0|2,0,0]=4 1819 B8R0.2 COC(=O)C(C(C)C)S 1P005P30 [0,2,0,0,0,0|2,0,0]=4 1820 B8R0.2 COC(=O)[C@@H](C(C)C)N 1P00BGNX [0,2,0,0,0,0|2,0,0]=4 1821 B8R0.2 COC(=O)[C@@H](C(C)C)O 1P00H1EQ [0,2,0,0,0,0|2,0,0]=4 1822 B8R0.2 COC(=O)[C@H](C(C)C)N 1P003REX [0,2,0,0,0,0|2,0,0]=4 1823 B8R0.2 COC(=O)[C@H](C(C)C)N 1P00C7FW [0,2,0,0,0,0|2,0,0]=4 1824 B8R0.2 COC(=O)[C@H](C(C)C)O 1P00BGG4 [0,2,0,0,0,0|2,0,0]=4 1825 B8R0.2 COC(C(C(=O)O)N)C 1P00C7EO [0,2,0,0,0,0|2,0,0]=4 1826 B8R0.2 COC(C(C(=O)O)O)C 1P01ALTB [0,2,0,0,0,0|2,0,0]=4 1827 B8R0.2 CON(C(=O)C(=O)C)C 1P00IH47 [0,2,0,0,0,0|1,0,1]=4 1828 B8R0.2 CO[C@@H]([C@@H](C(=O)O)O)C 1P0289VW [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.2 CO[C@@H]([C@H](C(=O)O)N)C 1P019GC4 [0,2,0,0,0,0|2,0,0]=4 1830 B8R0.2 CO[C@H]([C@@H](C(=O)O)N)C 1P00HARO [0,2,0,0,0,0|2,0,0]=4 1831 B8R0.2 CO[C@H]([C@H](C(=O)O)N)C 1P003RAY [0,2,0,0,0,0|2,0,0]=4 1832 B8R0.2 CO[C@H]([C@H](C(=O)O)N)C 1P0282Q9 [0,2,0,0,0,0|2,0,0]=4 1833 B8R0.2 CSC(C(C(=O)O)N)C 1P028UW4 [0,2,0,0,0,0|2,0,0]=4 1834 B8R0.2 CSC(C(C(=O)O)O)C 1P004FYP [0,2,0,0,0,0|2,0,0]=4 1835 B8R0.2 NCC(=O)N(C(C)C)O 1P01FLFG [0,2,0,0,0,0|2,0,0]=4 1836 B8R0.2 NCC(C(C(=O)O)F)C 1P027ZKC [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.2 OC(\C(=N/O)\N)C(C)C 1P00HW1J [0,2,0,0,0,0|1,0,1]=4 1838 B8R0.2 [13CH3][13CH2][13C@@H]([13C@@H]([13C](=O)O)N)[13CH3] 1P027HA7 [0,2,0,0,0,0|2,0,0]=4 1839 B8R0.2 [NH3+]CC(=O)N(N(C)C)C 1P009AT3 [0,2,0,0,0,0|1,0,1]=4 1840 B8R0.5 CC(NC(=O)N)COC 1P00G4L6 [0,2,0,0,0,0|2,0,0]=4 1841 B8R0.5 CC(NCC)CC(=O)O 1P01AA3H [0,2,0,0,0,0|2,0,0]=4 1842 B8R0.5 CC(NCC)CC(=O)O 1P01AA3Q [0,2,0,0,0,0|2,0,0]=4 1843 B8R0.5 CC(SCC)CC(=O)O 1P01E65K [0,2,0,0,0,0|2,0,0]=4 1844 B8R0.5 CCCC(=O)CC(C)C 1P003I60 [0,2,0,0,0,0|2,0,0]=4 1845 B8R0.5 CCCC(CC(=O)C)C 1P00ECOX [0,2,0,0,0,0|2,0,0]=4 1846 B8R0.5 CCCC(CC(=O)O)C 1P00C0ML [0,2,0,0,0,0|2,0,0]=4 1847 B8R0.5 CCCN(CC(=O)O)C 1P01ABNR [0,2,0,0,0,0|1,0,0]=3 1848 B8R0.5 CCNC(=O)CC(O)C 1P01C20H [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.5 CCNC(CN(C)C)C 1P01BDIT [0,2,0,0,0,0|1,0,1]=4 1850 B8R0.5 CCOC(=O)CC(=O)N 1P005HF6 [0,2,0,0,0,0|2,0,0]=4 1851 B8R0.5 CCOC(=O)CN(C)C 1P003T1U [0,2,0,0,0,0|1,0,0]=3 1852 B8R0.5 CCOC(=O)C[S+](C)C 1P003CHQ [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.5 CNCC(=O)NC(C)C 1P00DGI6 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.5 CNCC(=O)NC(C)C 1P019XRD [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.5 CNCC(CN(C)C)O 1P019YA8 [0,2,0,0,0,0|0,0,2]=4 1856 B8R0.5 COCC(=O)CC(C)C 1P01AH20 [0,2,0,0,0,0|2,0,0]=4 1857 B8R0.5 COCC(CC(=O)O)C 1P019ZSS [0,2,0,0,0,0|2,0,0]=4 1858 B8R0.5 ClCOC(=O)CC(C)C 1P01B6YZ [0,2,0,0,0,0|2,0,0]=4 1859 B8R0.5 N#CCC(=O)CC(C)C 1P01A9LN [0,2,0,0,0,0|1,0,1]=4 1860 B8R0.5 NCCC(=O)NC(C)C 1P009KNN [0,2,0,0,0,0|2,0,0]=4 1861 B8R0.5 NCCC(=O)OC(C)C 1P019PSM [0,2,0,0,0,0|2,0,0]=4 1862 B8R0.5 NCCC(CC(=O)O)C 1P01A1JJ [0,2,0,0,0,0|2,0,0]=4 1863 B8R0.5 NCCN(CC(=O)O)C 1P01A3X0 [0,2,0,0,0,0|1,0,0]=3 1864 B8R0.5 NCC[C@H](CC(=O)O)C 1P0283UC [0,2,0,0,0,0|2,0,0]=4 1865 B8R0.5 OCCC(CC(=O)[O-])C 1P028TXY [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.5 OCCN(CC(=O)C)C 1P00C2MY [0,2,0,0,0,0|1,0,0]=3 1867 B8R0.5 OCCN(CC(=O)O)C 1P002T2F [0,2,0,0,0,0|1,0,0]=3 1868 B8R0.16 CCC(CC(=O)O)CC 1P00EBFX [0,2,0,0,0,0|2,0,0]=4 1869 B8R0.16 CCC(CC(=O)O)CN 1P01A0VW [0,2,0,0,0,0|2,0,0]=4 1870 B8R0.16 CCC(CC(=O)O)OC 1P01DVDC [0,2,0,0,0,0|2,0,0]=4 1871 B8R0.16 CCC(CN(C)C)CN 1P00K6GZ [0,2,0,0,0,0|1,0,1]=4 1872 B8R0.16 CCN(CC(=O)C)CC 1P001T30 [0,2,0,0,0,0|1,0,0]=3 1873 B8R0.16 CCN(CC(=O)N)CC 1P005UAA [0,2,0,0,0,0|0,0,0]=2 1874 B8R0.16 CCN(CC(=O)O)CC 1P001SJ6 [0,2,0,0,0,0|1,0,0]=3 1875 B8R0.16 CCN(CC(=O)O)CC 1P00C1R8 [0,2,0,0,0,0|1,0,0]=3 1876 B8R0.16 CCN(CC(=O)[O-])CC 1P003T0E [0,2,0,0,0,0|1,0,0]=3 1877 B8R0.16 CCN(CC(N)C)CC 1P00B53H [0,2,0,0,0,0|1,0,1]=4 1878 B8R0.16 COC(CC(=O)C)OC 1P00IA68 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.16 COC(CC(=O)N)CN 1P01B8M8 [0,2,0,0,0,0|1,0,0]=3 1880 B8R0.16 COC(CC(=O)O)OC 1P00F3WF [0,2,0,0,0,0|2,0,0]=4 1881 B8R0.16 COC(CN)CC(=O)O 1P01BDG7 [0,2,0,0,0,0|2,0,0]=4 1882 B8R0.16 CO\C(=C\N(C)C)\C=O 1P0071LJ [0,2,0,0,0,0|1,0,1]=4 1883 B8R0.16 NCC(CN(C)C)CN 1P00II6C [0,2,0,0,0,0|1,0,1]=4 1884 B8R0.19 CC(CBr)CC(=O)OC 1P01B82B [0,2,0,0,0,0|2,0,0]=4 1885 B8R0.19 CC(CC)CC(=C)C=O 1P028ONP [0,2,0,0,0,0|2,0,0]=4 1886 B8R0.19 CC(CN)CC(=O)NC 1P0288T2 [0,2,0,0,0,0|1,0,0]=3 1887 B8R0.19 CC(CN)CC(=O)OC 1P01EIIL [0,2,0,0,0,0|2,0,0]=4 1888 B8R0.19 CC(OC(=O)NN)CC 1P01DWXS [0,2,0,0,0,0|2,0,0]=4 1889 B8R0.19 CCC(CC(=O)CC)C 1P003NCO [0,2,0,0,0,0|2,0,0]=4 1890 B8R0.19 CCC(CC(=O)CCl)C 1P028TOQ [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.19 CCN(CC(=O)NN)C 1P00J2I6 [0,2,0,0,0,0|0,0,0]=2 1892 B8R0.19 CC[C@@H](CC(=O)NC)N 1P028186 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.19 CN(C=O)CC(=O)OC 1P006186 [0,2,0,0,0,0|1,0,1]=4 1894 B8R0.19 CNC(=O)CC(=O)NC 1P002KHI [0,2,0,0,0,0|2,0,0]=4 1895 B8R0.19 CNC(CC(=O)NC)C 1P00J2L0 [0,2,0,0,0,0|1,0,0]=3 1896 B8R0.19 CN[C@@H](CC(=O)OC)C 1P028CPX [0,2,0,0,0,0|2,0,0]=4 1897 B8R0.19 COC(CC(=O)OC)C 1P019ZZM [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.19 CSC(CC(=O)OC)C 1P002JUO [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.19 C[C@@H](CN)CC(=O)OC 1P028T99 [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.19 C[C@H](CN)CC(=O)OC 1P028FAB [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.19 NCC(CN(CC)C)C 1P007WD6 [0,2,0,0,0,0|1,0,1]=4 1902 B8R0.24 BrCC(=O)CC(C)(C)C 1P01BBPW [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.24 CCC(CS(=O)(=O)N)C 1P01AI85 [0,2,0,0,0,0|2,0,0]=4 1904 B8R0.24 CNC(=O)CC(N)(C)C 1P0292GM [0,2,0,0,0,0|1,0,0]=3 1905 B8R0.24 CNC(=O)CS(=O)(=O)C 1P000XBY [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.24 CNC(=O)OC(C)(C)C 1P001SKA [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.24 COC(=O)CC(Br)(C)C 1P000VO0 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.24 COC(=O)CC(C)(C)C 1P000826 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.24 COC(=O)CC(N)(C)C 1P002ZF7 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.24 COC(=O)CC(N)(C)C 1P01AFOA [0,2,0,0,0,0|2,0,0]=4 1911 B8R0.24 COC(=O)CC(O)(C)C 1P00EZ0H [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.24 ClCC(=O)CC(Cl)(C)C 1P027VIV [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.24 NCC(=O)N=S(=O)(C)C 1P01C4LZ [0,2,0,0,0,0|2,0,0]=4 1914 B8R0.24 NCC(=O)NC(C)(C)C 1P00FCYH [0,2,0,0,0,0|2,0,0]=4 1915 B8R0.24 NCC(=O)NC(C)(C)C 1P00J2CP [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.24 NCC(=O)OC(C)(C)C 1P0035FR [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.24 NCC(=O)OC(C)(C)C 1P003910 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.24 NCC(=O)OC(C)(C)C 1P00CJXG [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.24 NNC(=O)CC(C)(C)C 1P00FQ5L [0,2,0,0,0,0|1,0,0]=3 1920 B8R0.24 NNC(=O)CS(=O)(=O)C 1P00GBDD [0,2,0,0,0,0|2,0,0]=4 1921 B8R0.24 NNC(=O)OC(C)(C)C 1P003V16 [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.24 ONC(=O)CC(C)(C)C 1P01AMRP [0,2,0,0,0,0|1,0,0]=3 1923 B8R0.24 ONC(=O)OC(C)(C)C 1P003641 [0,2,0,0,0,0|2,0,0]=4 1924 B8R0.34 BrCC(CC(=O)O)(C)C 1P01ACNU [0,2,0,0,0,0|2,0,0]=4 1925 B8R0.34 C#CC(NC(=O)N)(C)C 1P01C3PH [0,2,0,0,0,0|2,0,0]=4 1926 B8R0.34 C#CC(OC(=O)N)(C)C 1P00CVX3 [0,2,0,0,0,0|2,0,0]=4 1927 B8R0.34 C=CC(CC(=O)N)(C)C 1P01B6U9 [0,2,0,0,0,0|1,0,0]=3 1928 B8R0.34 C=CC(CC(=O)O)(C)C 1P005EPY [0,2,0,0,0,0|2,0,0]=4 1929 B8R0.34 CC(CC)(CC(=O)O)O 1P001MOK [0,2,0,0,0,0|2,0,0]=4 1930 B8R0.34 CC(CN)(CC(=O)O)O 1P01C2EI [0,2,0,0,0,0|2,0,0]=4 1931 B8R0.34 CCC(CC(=O)Cl)(C)C 1P01B7B9 [0,2,0,0,0,0|2,0,0]=4 1932 B8R0.34 CCC(CC(=O)O)(C)C 1P00C0N1 [0,2,0,0,0,0|2,0,0]=4 1933 B8R0.34 CCS(=O)(=O)CC(=O)N 1P028913 [0,2,0,0,0,0|2,0,0]=4 1934 B8R0.34 CN(CC(C#N)(N)C)C 1P01BBAN [0,2,0,0,0,0|1,0,1]=4 1935 B8R0.34 CNC(CC(=O)O)(C)C 1P028UEW [0,2,0,0,0,0|2,0,0]=4 1936 B8R0.34 COC(CC(=O)C)(C)C 1P003M3N [0,2,0,0,0,0|2,0,0]=4 1937 B8R0.34 CSC(CC(=O)C)(C)C 1P002O47 [0,2,0,0,0,0|2,0,0]=4 1938 B8R0.34 CSC(CC(=O)O)(C)C 1P028GQO [0,2,0,0,0,0|2,0,0]=4 1939 B8R0.34 ClCC(CC(=O)Cl)(C)C 1P027UDI [0,2,0,0,0,0|2,0,0]=4 1940 B8R0.34 ClC[Si](CC(=O)O)(C)C 1P01BJ4O [0,2,0,0,0,0|2,0,0]=4 1941 B8R0.34 ICC(CC(=O)Cl)(C)C 1P01FI2H [0,2,0,0,0,0|2,0,0]=4 1942 B8R0.34 ICC(CC(=O)O)(C)C 1P01FL60 [0,2,0,0,0,0|2,0,0]=4 1943 B8R0.34 N#CC(CC(=O)C)(C)C 1P01B5HZ [0,2,0,0,0,0|2,0,0]=4 1944 B8R0.34 N#CC(CC(=O)O)(C)C 1P01A3UF [0,2,0,0,0,0|2,0,0]=4 1945 B8R0.34 NCC(CC(=O)O)(C)C 1P00GURE [0,2,0,0,0,0|2,0,0]=4 1946 B8R0.34 NCC(CN(C)C)(C)C 1P003SWU [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.34 NCC(CN(C)C)(F)F 1P01DS2B [0,2,0,0,0,0|1,0,1]=4 1948 B8R0.34 NCC(CN(C)C)(F)F 1P027UW3 [0,2,0,0,0,0|1,0,1]=4 1949 B8R0.34 NCC(CN(C)C)(O)C 1P01A2NN [0,2,0,0,0,0|0,0,2]=4 1950 B8R0.34 O=CC(CN(C)C)(C)C 1P00APU2 [0,2,0,0,0,0|1,0,1]=4 1951 B8R0.34 OCC(CC(=N)N)(C)C 1P028VSB [0,2,0,0,0,0|2,0,0]=4 1952 B8R0.27 BrC(C(Br)(C)C)C(=O)O 1P008MR6 [0,2,0,0,0,0|2,0,0]=4 1953 B8R0.27 BrC(C(C)(C)C)C(=O)N 1P01A687 [0,2,0,0,0,0|1,0,0]=3 1954 B8R0.27 BrC(C(C)(C)C)C(=O)O 1P019KNC [0,2,0,0,0,0|2,0,0]=4 1955 B8R0.27 Br[C@H](C(C)(C)C)C(=O)O 1P028AQ6 [0,2,0,0,0,0|2,0,0]=4 1956 B8R0.27 CC(=O)C(C(C)(C)C)Br 1P01BAQD [0,2,0,0,0,0|2,0,0]=4 1957 B8R0.27 CC(C(C)(C)C)C(=O)Cl 1P01BUD6 [0,2,0,0,0,0|2,0,0]=4 1958 B8R0.27 CC(C(C)(C)C)C(=O)O 1P002CDO [0,2,0,0,0,0|2,0,0]=4 1959 B8R0.27 C[C@@H](C(C)(C)C)C(=O)O 1P001535 [0,2,0,0,0,0|2,0,0]=4 1960 B8R0.27 C[C@H](C(C)(C)C)C(=O)O 1P028P1F [0,2,0,0,0,0|2,0,0]=4 1961 B8R0.27 NC(C(C)(C)C)C(=O)N 1P01ABOW [0,2,0,0,0,0|1,0,0]=3 1962 B8R0.27 NC(C(C)(C)C)C(=O)O 1P003QB9 [0,2,0,0,0,0|2,0,0]=4 1963 B8R0.27 NC(C(C)(C)C)C(=O)O 1P019KND [0,2,0,0,0,0|2,0,0]=4 1964 B8R0.27 NC(C(F)(C)C)C(=O)O 1P003JY0 [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.27 NC(C(N)(C)C)C(=O)O 1P027WBG [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.27 NC(C(S)(C)C)C(=O)O 1P00DF49 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.27 N[C@@H](C(C)(C)C)C(=O)N 1P00G6LE [0,2,0,0,0,0|1,0,0]=3 1968 B8R0.27 N[C@@H](C(C)(C)C)C(=O)O 1P002K9B [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.27 N[C@@H](C(C)(C)C)C(=O)O 1P009DP5 [0,2,0,0,0,0|2,0,0]=4 1970 B8R0.27 N[C@@H](C(S)(C)C)C(=O)O 1P0035KM [0,2,0,0,0,0|2,0,0]=4 1971 B8R0.27 N[C@H](C(C)(C)C)C(=O)N 1P028TIH [0,2,0,0,0,0|1,0,0]=3 1972 B8R0.27 N[C@H](C(C)(C)C)C(=O)O 1P003QCY [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.27 N[C@H](C(S)(C)C)C(=O)O 1P003952 [0,2,0,0,0,0|2,0,0]=4 1974 B8R0.27 OC(=O)C(C(O)(C)C)N 1P0033JN [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.27 OC(=O)C(C(O)(C)C)O 1P0021IY [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.27 OC(=O)C(P(=O)(C)C)C 1P028O0L [0,2,0,0,0,0|1,1,0]=4 1977 B8R0.27 OC(=O)[C@@H](C(O)(C)C)C 1P028OUK [0,2,0,0,0,0|2,0,0]=4 1978 B8R0.27 OC(=O)[C@@H](C(O)(C)C)N 1P00I4Y9 [0,2,0,0,0,0|2,0,0]=4 1979 B8R0.27 OC(=O)[C@H](C(O)(C)C)N 1P003A76 [0,2,0,0,0,0|2,0,0]=4 1980 B8R0.27 OC(C(C)(C)C)C(=O)O 1P00D6E9 [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.27 O[C@@H](C(C)(C)C)C(=O)O 1P003CUB [0,2,0,0,0,0|2,0,0]=4 1982 B8R0.27 O[C@H](C(C)(C)C)C(=O)O 1P0070AJ [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.33 CC(CS(=O)(=O)N)(C)C 1P00C3BA [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.18 CC(C(C(=O)O)C#C)C 1P028EDR [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.18 CC(C(C(=O)O)C#N)C 1P006YG7 [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.18 CCC(C(=O)O)C(C)C 1P007GLY [0,2,0,0,0,0|2,0,0]=4 1987 B8R0.18 CCC(C(=O)O)N(C)C 1P00ADAP [0,2,0,0,0,0|1,0,0]=3 1988 B8R0.18 CCC(C(=O)O)N(C)C 1P01A0XX [0,2,0,0,0,0|1,0,0]=3 1989 B8R0.18 CC[C@@H](C(=O)O)N(C)C 1P01AMTH [0,2,0,0,0,0|1,0,0]=3 1990 B8R0.18 CC[C@H](C(=O)O)N(C)C 1P01BVYP [0,2,0,0,0,0|1,0,0]=3 1991 B8R0.18 CNC(C(=O)O)C(C)C 1P00BHN8 [0,2,0,0,0,0|2,0,0]=4 1992 B8R0.18 CN[C@@H](C(=O)O)C(C)C 1P002LGR [0,2,0,0,0,0|2,0,0]=4 1993 B8R0.18 CN[C@@H](C(=O)O)C(C)C 1P008AIF [0,2,0,0,0,0|2,0,0]=4 1994 B8R0.18 CN[C@H](C(=O)O)C(C)C 1P002E53 [0,2,0,0,0,0|2,0,0]=4 1995 B8R0.18 CN[C@H](C(=O)O)C(C)C 1P002PY4 [0,2,0,0,0,0|2,0,0]=4 1996 B8R0.18 COC(C(=O)O)C(C)C 1P01ADGT [0,2,0,0,0,0|2,0,0]=4 1997 B8R0.18 CO[C@H](C(=O)O)C(C)C 1P01ISI9 [0,2,0,0,0,0|2,0,0]=4 1998 B8R0.18 CSC(C(=O)O)C(C)C 1P01DWZ6 [0,2,0,0,0,0|2,0,0]=4 1999 B8R0.18 N#CC(C(=O)C)C(C)C 1P028ONN [0,2,0,0,0,0|2,0,0]=4 2000 B8R0.18 NCC(C(=O)O)C(C)C 1P019Q9C [0,2,0,0,0,0|2,0,0]=4 2001 B8R0.18 NC[C@@H](C(=O)O)C(C)C 1P0029LI [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.18 NC[C@@H](C(=O)O)C(C)C 1P003D15 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.18 NC[C@@H](C(=O)O)N(C)C 1P028YDN [0,2,0,0,0,0|1,0,0]=3 2004 B8R0.18 NC[C@H](C(=O)O)C(C)C 1P000XNY [0,2,0,0,0,0|2,0,0]=4 2005 B8R0.18 NC[C@H](C(=O)O)C(C)C 1P002L6O [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.18 NOC(C(=O)O)C(C)C 1P01BA8Z [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.18 OCC(C(=O)O)C(C)C 1P01AFU5 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.18 OCC(C(=O)[O-])C(C)C 1P01C0N7 [0,2,0,0,0,0|2,0,0]=4 2009 B8R0.18 OC[C@@H](C(=O)N)N(C)C 1P027W2D [0,2,0,0,0,0|0,0,0]=2 2010 B8R0.18 OC[C@@H](C(=O)O)N(C)C 1P007LT9 [0,2,0,0,0,0|1,0,0]=3 2011 B8R0.18 OC[C@H](C(=O)N)N(C)C 1P027VXM [0,2,0,0,0,0|0,0,0]=2 2012 B8R0.18 OC[C@H](C(=O)O)N(C)C 1P000TEL [0,2,0,0,0,0|1,0,0]=3 2013 B8R0.18 ONC(C(=O)O)C(C)C 1P028H16 [0,2,0,0,0,0|2,0,0]=4 2014 B8R0.37 CC(C(C(=O)N)(N)C)C 1P003GT6 [0,2,0,0,0,0|1,0,0]=3 2015 B8R0.37 CC(C(C(=O)O)(Br)C)C 1P028G91 [0,2,0,0,0,0|2,0,0]=4 2016 B8R0.37 CC(C(C(=O)O)(C)C)C 1P00DA2M [0,2,0,0,0,0|2,0,0]=4 2017 B8R0.37 CC(C(C(=O)O)(O)C)C 1P00CNXG [0,2,0,0,0,0|2,0,0]=4 2018 B8R0.37 CC(C(C(=O)[O-])(F)F)C 1P027YQS [0,2,0,0,0,0|2,0,0]=4 2019 B8R0.37 CC([C@@](C(=O)N)(N)C)C 1P006EYP [0,2,0,0,0,0|1,0,0]=3 2020 B8R0.37 CC([C@@](C(=O)O)(N)C)C 1P002T24 [0,2,0,0,0,0|2,0,0]=4 2021 B8R0.37 CC([C@](C(=O)O)(N)C)C 1P003CPE [0,2,0,0,0,0|2,0,0]=4 2022 B8R0.37 CN(C(C(=O)O)(C)C)C 1P00C5KG [0,2,0,0,0,0|1,0,0]=3 2023 B8R0.37 CN(C(C(=O)O)(C)C)C 1P01A0V4 [0,2,0,0,0,0|1,0,0]=3 2024 B6R1.2 C1C=NNC1=O 1P00134X [1,0,0,1,0,0|2,0,0]=4 2025 B6R1.2 C1CNNC1=O 1P0020VF [1,0,0,1,0,0|2,0,0]=4 2026 B6R1.2 C1CONC1=O 1P000ISP [1,0,0,1,0,0|2,0,0]=4 2027 B6R1.2 C1NC(=O)C=C1 1P0037XN [1,0,0,1,0,0|1,0,1]=4 2028 B6R1.2 C1NCNC1=O 1P0013LS [1,0,0,1,0,0|0,0,0]=2 2029 B6R1.2 C1SCNC1=O 1P01DZQ4 [1,0,0,1,0,0|1,0,0]=3 2030 B6R1.2 C=C1CNCC1 1P00HYRP [1,0,0,1,0,0|2,0,0]=4 2031 B6R1.2 CC1=CCNC1 1P028YTC [1,0,0,1,0,0|2,0,0]=4 2032 B6R1.2 CC1CNC=N1 1P007FYO [1,0,0,1,0,0|2,0,0]=4 2033 B6R1.2 CC1CNCC1 1P008SOQ [1,0,0,1,0,0|1,0,1]=4 2034 B6R1.2 CC1CNNC1 1P0285ON [1,0,0,1,0,0|2,0,0]=4 2035 B6R1.2 CC1CONC1 1P00J2V7 [1,0,0,1,0,0|2,0,0]=4 2036 B6R1.2 CN1CC=CC1 1P00384O [1,0,0,1,0,0|1,0,0]=3 2037 B6R1.2 CN1CCCC1 1P000QI1 [1,0,0,1,0,0|1,0,1]=4 2038 B6R1.2 CN1CNCC1 1P01NMBZ [1,0,0,1,0,0|0,0,1]=3 2039 B6R1.2 CN1COCC1 1P007ME8 [1,0,0,1,0,0|0,0,2]=4 2040 B6R1.2 C[C@@H]1CNCC1 1P0039DE [1,0,0,1,0,0|1,0,1]=4 2041 B6R1.2 C[C@H]1CNCC1 1P002NXA [1,0,0,1,0,0|1,0,1]=4 2042 B6R1.2 FC1=CCNC1 1P0204LU [1,0,0,1,0,0|2,0,0]=4 2043 B6R1.2 NC1=CCNN1 1P01C548 [1,0,0,1,0,0|2,0,0]=4 2044 B6R1.2 NC1=NCCC1 1P005L7K [1,0,0,1,0,0|2,0,0]=4 2045 B6R1.2 NC1CNCC1 1P003JES [1,0,0,1,0,0|1,0,1]=4 2046 B6R1.2 NC1CNCC1 1P003JET [1,0,0,1,0,0|1,0,1]=4 2047 B6R1.2 N[C@@H]1CNCC1 1P000CB6 [1,0,0,1,0,0|1,0,1]=4 2048 B6R1.2 N[C@@H]1CNCC1 1P000YFR [1,0,0,1,0,0|1,0,1]=4 2049 B6R1.2 N[C@H]1CNCC1 1P000CB7 [1,0,0,1,0,0|1,0,1]=4 2050 B6R1.2 N[C@H]1CNCC1 1P000CB8 [1,0,0,1,0,0|1,0,1]=4 2051 B6R1.2 O=C1CCCC1 1P000QI3 [1,0,0,1,0,0|2,0,0]=4 2052 B6R1.2 O=C1CCCN1 1P0033WH [1,0,0,1,0,0|1,0,0]=3 2053 B6R1.2 O=C1CCCN1 1P003IDZ [1,0,0,1,0,0|1,0,0]=3 2054 B6R1.2 O=C1CCCS1 1P0001YH [1,0,0,1,0,0|2,0,0]=4 2055 B6R1.2 O=C1CNCC1 1P003KD3 [1,0,0,1,0,0|1,0,0]=3 2056 B6R1.2 O=C1COCC1 1P002LZR [1,0,0,1,0,0|2,0,0]=4 2057 B6R1.2 O=C1CSCC1 1P0001YK [1,0,0,1,0,0|2,0,0]=4 2058 B6R1.2 O=C1NCCN1 1P000QI2 [1,0,0,1,0,0|2,0,0]=4 2059 B6R1.2 O=C1NCCN1 1P0032QH [1,0,0,1,0,0|2,0,0]=4 2060 B6R1.2 O=C1NCCO1 1P00I9C8 [1,0,0,1,0,0|2,0,0]=4 2061 B6R1.2 S=C1CCCN1 1P002M49 [1,0,0,1,0,0|1,1,0]=4 2062 B6R1.3 NCCC1CC1 1P0036AC [1,0,0,1,0,0|1,0,1]=4 2063 B6R1.3 NCCC1CC1 1P0036Q4 [1,0,0,1,0,0|1,0,1]=4 2064 B6R1.3 NNCC1CC1 1P003PNT [1,0,0,1,0,0|2,0,0]=4 2065 B6R1.3 NOCC1CC1 1P005A1A [1,0,0,1,0,0|2,0,0]=4 2066 B6R1.3 NOCC1CC1 1P005W8D [1,0,0,1,0,0|2,0,0]=4 2067 B6R1.3 O=CCC1CC1 1P00DIEP [1,0,0,1,0,0|1,0,0]=3 2068 B6R1.3 O=CNC1CC1 1P00EBZW [1,0,0,1,0,0|2,0,0]=4 2069 B6R1.3 OCCN1CC1 1P0039FM [1,0,0,1,0,0|0,0,2]=4 2070 B6R1.5 BrC1CC(=O)C1 1P003AKZ [1,0,0,1,0,0|2,0,0]=4 2071 B6R1.5 CC1CC(=O)C1 1P000PMX [1,0,0,1,0,0|1,0,0]=3 2072 B6R1.5 CC1CC(=O)O1 1P00319M [1,0,0,1,0,0|2,0,0]=4 2073 B6R1.5 CC1CC(C1)N 1P00GUYQ [1,0,0,1,0,0|1,0,1]=4 2074 B6R1.5 CN1CC(=O)C1 1P0023MN [1,0,0,1,0,0|0,0,0]=2 2075 B6R1.5 C[C@@H]1CC(=O)N1 1P028IFA [1,0,0,1,0,0|1,0,0]=3 2076 B6R1.5 C[C@@H]1C[C@@H](C1)N 1P008ZOB [1,0,0,1,0,0|1,0,1]=4 2077 B6R1.5 C[C@@H]1C[C@H](C1)N 1P01JUS2 [1,0,0,1,0,0|1,0,1]=4 2078 B6R1.5 C[C@H]1CC(=O)N1 1P007L72 [1,0,0,1,0,0|1,0,0]=3 2079 B6R1.5 ClC1CN(C1)C 1P01NHZ0 [1,0,0,1,0,0|1,0,1]=4 2080 B6R1.5 FC1CC(=O)C1 1P00HWHO [1,0,0,1,0,0|2,0,0]=4 2081 B6R1.5 NC1CC(=O)C1 1P007XUV [1,0,0,1,0,0|2,0,0]=4 2082 B6R1.5 NC1CN(C1)C 1P000AMX [1,0,0,1,0,0|0,0,1]=3 2083 B6R1.5 NC1CN(C1)C 1P0038ZB [1,0,0,1,0,0|0,0,1]=3 2084 B6R1.5 OC1CC(=O)C1 1P0039UW [1,0,0,1,0,0|2,0,0]=4 2085 B6R1.5 OC1CN(C1)C 1P0039HZ [1,0,0,1,0,0|0,0,2]=4 2086 B6R1.5 OC1CN(C1)C 1P003JZR [1,0,0,1,0,0|0,0,2]=4 2087 B6R1.8 CC1CC1C=O 1P01A01X [1,0,0,1,0,0|1,0,0]=3 2088 B6R1.8 CC1CC1CN 1P019NSQ [1,0,0,1,0,0|1,0,1]=4 2089 B6R1.8 C[C@@H]1C[C@H]1CN 1P00I3PK [1,0,0,1,0,0|1,0,1]=4 2090 B6R1.8 C[C@H]1C[C@H]1C=O 1P001C59 [1,0,0,1,0,0|1,0,0]=3 2091 B6R1.8 ClC1CC1C=O 1P01B7PB [1,0,0,1,0,0|2,0,0]=4 2092 B6R1.9 NC1CC1(C)C 1P00IC6A [1,0,0,1,0,0|1,0,1]=4 2093 B6R1.9 N[C@H]1CC1(C)C 1P01C36M [1,0,0,1,0,0|1,0,1]=4 2094 B6R1.10 CC1(C)CCN1 1P008UGV [1,0,0,1,0,0|1,0,1]=4 2095 B6R1.10 CC1(C)CCN1 1P008URO [1,0,0,1,0,0|1,0,1]=4 2096 B6R1.10 CC1(N)CNC1 1P000N1L [1,0,0,1,0,0|1,0,1]=4 2097 B6R1.11 CC(=O)C1CC1 1P00337Q [1,0,0,1,0,0|2,0,0]=4 2098 B6R1.11 CC(=O)C1CO1 1P00DG4I [1,0,0,1,0,0|2,0,0]=4 2099 B6R1.11 CC([C@@H]1NC1)C 1P028Z6M [1,0,0,1,0,0|1,0,1]=4 2100 B6R1.11 CC([C@H]1NC1)C 1P028JDK [1,0,0,1,0,0|1,0,1]=4 2101 B6R1.11 ClC(=O)C1CC1 1P003PNF [1,0,0,1,0,0|2,0,0]=4 2102 B6R1.11 NC(=N)C1CC1 1P00393B [1,0,0,1,0,0|2,0,0]=4 2103 B6R1.11 NC(=O)C1CC1 1P003PNG [1,0,0,1,0,0|1,0,0]=3 2104 B6R1.11 NC(=S)C1CC1 1P00291O [1,0,0,1,0,0|1,1,0]=4 2105 B6R1.11 NS(=O)C1CC1 1P0221LR [1,0,0,1,0,0|2,0,0]=4 2106 B6R1.11 OC(=O)C1CC1 1P0021R4 [1,0,0,1,0,0|2,0,0]=4 2107 B6R1.11 OC(=O)C1CO1 1P003TZG [1,0,0,1,0,0|2,0,0]=4 2108 B6R1.11 [O-]C(=O)C1CO1 1P0035ZB [1,0,0,1,0,0|2,0,0]=4 2109 B6R1.11 [O-]C(=O)[C@@H]1CO1 1P0038VO [1,0,0,1,0,0|2,0,0]=4 2110 B6R1.11 [O-]C(=O)[C@H]1CO1 1P004XZC [1,0,0,1,0,0|2,0,0]=4 2111 B6R1.4 CC1CNC1=O 1P01DXX0 [0,0,0,1,1,0|1,0,0]=3 2112 B6R1.4 NC1CNC1=O 1P01BSOU [0,0,0,1,1,0|2,0,0]=4 2113 B6R1.4 N[C@@H]1CNC1=O 1P01KAB4 [0,0,0,1,1,0|2,0,0]=4 2114 B6R1.4 N[C@@H]1CNC1=O 1P027UE8 [0,0,0,1,1,0|2,0,0]=4 2115 B6R1.4 N[C@H]1CNC1=O 1P000A5J [0,0,0,1,1,0|2,0,0]=4 2116 B6R1.4 N[C@H]1CNC1=O 1P0029Z1 [0,0,0,1,1,0|2,0,0]=4 2117 B6R1.4 O=C1CCC1C 1P00B4N2 [0,0,0,1,1,0|2,0,0]=4 2118 B6R1.4 O=C1CCN1N 1P01A4RJ [0,0,0,1,1,0|2,0,0]=4 2119 B6R1.4 OC1CNC1=O 1P01A6LV [0,0,0,1,1,0|2,0,0]=4 2120 B8R1.3 CC1=CCC(=O)CC1 1P00DEB0 [0,0,0,1,0,1|2,0,0]=4 2121 B8R1.3 CC1=NNC(=O)CC1 1P00DE87 [0,0,0,1,0,1|2,0,0]=4 2122 B8R1.3 CC1CCC(=N)NC1 1P027UF7 [0,0,0,1,0,1|2,0,0]=4 2123 B8R1.3 CC1CCC(=O)CC1 1P0037LL [0,0,0,1,0,1|2,0,0]=4 2124 B8R1.3 CC1CCC(=O)CN1 1P01EK9J [0,0,0,1,0,1|2,0,0]=4 2125 B8R1.3 CC1CCC(=O)NC1 1P0039A4 [0,0,0,1,0,1|1,0,0]=3 2126 B8R1.3 CC1CCC(=O)OC1 1P01HF4J [0,0,0,1,0,1|2,0,0]=4 2127 B8R1.3 CC1CNC(=NC1)N 1P028NGR [0,0,0,1,0,1|2,0,0]=4 2128 B8R1.3 CC1CNC(=O)CN1 1P00ILNO [0,0,0,1,0,1|1,0,0]=3 2129 B8R1.3 CN1CCC(=C)CC1 1P0012OV [0,0,0,1,0,1|2,0,0]=4 2130 B8R1.3 CN1CCC(=CC1)Br 1P00ARAZ [0,0,0,1,0,1|2,0,0]=4 2131 B8R1.3 CN1CCC(=CC1)Br 1P028CI6 [0,0,0,1,0,1|2,0,0]=4 2132 B8R1.3 CN1CCC(=O)CC1 1P001K3X [0,0,0,1,0,1|1,0,0]=3 2133 B8R1.3 CN1CCC(=O)CC1 1P00BZQM [0,0,0,1,0,1|1,0,0]=3 2134 B8R1.3 CN1CCC(CC1)N 1P000QR3 [0,0,0,1,0,1|1,0,1]=4 2135 B8R1.3 CN1CCC(CC1)N 1P003EZH [0,0,0,1,0,1|1,0,1]=4 2136 B8R1.3 CN1CCN(CC1)N 1P003BHO [0,0,0,1,0,1|2,0,0]=4 2137 B8R1.3 CN1CNC(=NC1)S 1P00FHCK [0,0,0,1,0,1|0,1,0]=3 2138 B8R1.3 C[C@@H]1CCC(=O)CN1 1P01JV25 [0,0,0,1,0,1|2,0,0]=4 2139 B8R1.3 C[C@@H]1CNC(=O)CN1 1P00IL8K [0,0,0,1,0,1|1,0,0]=3 2140 B8R1.3 C[C@@H]1CNC(=O)CN1 1P00J3DR [0,0,0,1,0,1|1,0,0]=3 2141 B8R1.3 C[C@H]1CCC(=O)CN1 1P01JVFW [0,0,0,1,0,1|2,0,0]=4 2142 B8R1.3 C[C@H]1CNC(=O)CN1 1P00HHZJ [0,0,0,1,0,1|1,0,0]=3 2143 B8R1.3 C[C@H]1CNC(=O)CN1 1P00J3EQ [0,0,0,1,0,1|1,0,0]=3 2144 B8R1.3 FC1CCC(=O)NC1 1P01JVLP [0,0,0,1,0,1|2,0,0]=4 2145 B8R1.3 NC1CCC(=O)NC1 1P000L8V [0,0,0,1,0,1|2,0,0]=4 2146 B8R1.3 NC1CCC(=O)NC1 1P00AQJK [0,0,0,1,0,1|2,0,0]=4 2147 B8R1.3 NC1CCC(=O)NC1 1P024TPY [0,0,0,1,0,1|2,0,0]=4 2148 B8R1.3 NC1CNC(=O)NC1 1P0280FV [0,0,0,1,0,1|2,0,0]=4 2149 B8R1.3 N[C@@H]1CCC(=O)NC1 1P0001ZD [0,0,0,1,0,1|2,0,0]=4 2150 B8R1.3 N[C@@H]1CCC(=O)NC1 1P027V4Z [0,0,0,1,0,1|2,0,0]=4 2151 B8R1.3 N[C@@H]1CNC(=O)OC1 1P0283RU [0,0,0,1,0,1|2,0,0]=4 2152 B8R1.3 N[C@H]1CCC(=O)NC1 1P00FBRS [0,0,0,1,0,1|2,0,0]=4 2153 B8R1.3 N[C@H]1CCC(=O)NC1 1P01JUG8 [0,0,0,1,0,1|2,0,0]=4 2154 B8R1.3 O=C1CCC(=O)CN1 1P00D99E [0,0,0,1,0,1|2,0,0]=4 2155 B8R1.3 O=C1CCC(OC1)C 1P00DUSV [0,0,0,1,0,1|2,0,0]=4 2156 B8R1.3 O=C1CCC(SC1)C 1P00DV16 [0,0,0,1,0,1|2,0,0]=4 2157 B8R1.3 O=C1COC(CN1)C 1P000Y2L [0,0,0,1,0,1|1,0,0]=3 2158 B8R1.3 O=C1CO[C@@H](CN1)C 1P01B5ZE [0,0,0,1,0,1|1,0,0]=3 2159 B8R1.3 O=C1CO[C@H](CN1)C 1P01B5ZD [0,0,0,1,0,1|1,0,0]=3 2160 B8R1.3 O=C1NCC(=O)NC1 1P003R90 [0,0,0,1,0,1|2,0,0]=4 2161 B8R1.3 OC1CCC(=O)NC1 1P00APM1 [0,0,0,1,0,1|2,0,0]=4 2162 B8R1.3 OC1CNC(=O)NC1 1P00AT7U [0,0,0,1,0,1|2,0,0]=4 2163 B8R1.3 O[C@@H]1CCC(=O)NC1 1P0008T2 [0,0,0,1,0,1|2,0,0]=4 2164 B8R1.3 O[C@H]1CCC(=O)NC1 1P0039IH [0,0,0,1,0,1|2,0,0]=4 2165 B8R1.20 CC1CC1CC(=O)O 1P01BBI8 [0,0,0,1,0,1|2,0,0]=4 2166 B8R1.20 CC1CC1NC(=S)N 1P01BRLQ [0,0,0,1,0,1|1,1,0]=4 2167 B8R1.23 CC(C1CC(=O)C1)C 1P019ZKQ [0,0,0,1,0,1|2,0,0]=4 2168 B8R1.23 CC(C1CC(=O)N1)C 1P00GFT6 [0,0,0,1,0,1|1,0,0]=3 2169 B8R1.23 CC1CC(C1)C(=O)C 1P00CIPH [0,0,0,1,0,1|2,0,0]=4 2170 B8R1.23 CC1CC(C1)C(=O)O 1P00380T [0,0,0,1,0,1|2,0,0]=4 2171 B8R1.23 CC1CC(N1)C(=O)O 1P01DZCF [0,0,0,1,0,1|2,0,0]=4 2172 B8R1.23 CC1CN(C1)C(=O)Cl 1P0286O3 [0,0,0,1,0,1|2,0,0]=4 2173 B8R1.23 CN1CC(C1)C(=O)N 1P028Y6A [0,0,0,1,0,1|0,0,0]=2 2174 B8R1.23 CN1CC(C1)C(=O)O 1P004S1X [0,0,0,1,0,1|1,0,0]=3 2175 B8R1.23 C[C@@H]1C[C@@H](C1)C(=O)O 1P00H3P5 [0,0,0,1,0,1|2,0,0]=4 2176 B8R1.23 C[C@@H]1C[C@@H](N1)C(=O)O 1P02074D [0,0,0,1,0,1|2,0,0]=4 2177 B8R1.23 C[C@@H]1C[C@H](C1)C(=O)O 1P00IF9M [0,0,0,1,0,1|2,0,0]=4 2178 B8R1.23 C[C@H]1C[C@@H](N1)C(=O)O 1P02074N [0,0,0,1,0,1|2,0,0]=4 2179 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O 1P00PLYX [0,0,0,1,0,1|2,0,0]=4 2180 B8R1.23 NC1CC(C1)C(=O)N 1P01B2AN [0,0,0,1,0,1|2,0,0]=4 2181 B8R1.23 NC1CC(C1)N(C)C 1P01B8OO [0,0,0,1,0,1|1,0,1]=4 2182 B8R1.23 NC1CN(C1)C(=O)N 1P01FJXW [0,0,0,1,0,1|2,0,0]=4 2183 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)N 1P01C5XI [0,0,0,1,0,1|2,0,0]=4 2184 B8R1.23 N[C@@H]1C[C@@H](C1)N(C)C 1P01JUV5 [0,0,0,1,0,1|1,0,1]=4 2185 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)N 1P01BV5X [0,0,0,1,0,1|2,0,0]=4 2186 B8R1.23 N[C@@H]1C[C@H](C1)N(C)C 1P01JUUW [0,0,0,1,0,1|1,0,1]=4 2187 B8R1.23 N[C@@H]1C[C@H](C1)N(C)C 1P01K87Y [0,0,0,1,0,1|1,0,1]=4 2188 B8R1.23 O=C1CC(C1)C(=O)N 1P0291I1 [0,0,0,1,0,1|2,0,0]=4 2189 B8R1.23 OC1CC(C1)C(=O)N 1P028W4O [0,0,0,1,0,1|2,0,0]=4 2190 B8R1.23 OC1CN(C1)C(=O)N 1P01DWW9 [0,0,0,1,0,1|2,0,0]=4 2191 B8R1.35 CC(=O)CCC1CC1 1P01AD57 [0,0,0,1,0,1|2,0,0]=4 2192 B8R1.35 ClC(=O)NCC1CC1 1P0284IH [0,0,0,1,0,1|2,0,0]=4 2193 B8R1.35 ClC(=O)OCC1CC1 1P01ADOW [0,0,0,1,0,1|2,0,0]=4 2194 B8R1.35 NC(=O)CCC1CC1 1P004VRG [0,0,0,1,0,1|1,0,0]=3 2195 B8R1.35 NC(=O)NCC1CC1 1P00F5EJ [0,0,0,1,0,1|1,0,0]=3 2196 B8R1.35 NC(=S)NCC1CC1 1P00EBHJ [0,0,0,1,0,1|1,1,0]=4 2197 B8R1.35 OC(=O)CCC1CC1 1P00IAHR [0,0,0,1,0,1|2,0,0]=4 2198 B8R1.35 OC(=O)CNC1CC1 1P007JIG [0,0,0,1,0,1|2,0,0]=4 2199 B8R1.35 OC(=O)CNC1CC1 1P019V79 [0,0,0,1,0,1|2,0,0]=4 2200 B8R1.35 OC(=O)COC1CC1 1P01BICC [0,0,0,1,0,1|2,0,0]=4 2201 B8R1.35 OC(=O)CSC1CC1 1P01APH1 [0,0,0,1,0,1|2,0,0]=4 2202 B8R1.51 N=C1CCC(N1)(C)C 1P01C1TN [0,0,0,1,0,1|2,0,0]=4 2203 B8R1.51 NC1=NC(CO1)(C)C 1P00E369 [0,0,0,1,0,1|2,0,0]=4 2204 B8R1.51 NC1=NCC(C1)(C)C 1P01JV23 [0,0,0,1,0,1|2,0,0]=4 2205 B8R1.51 NC1=NCC(N1)(C)C 1P01DWX1 [0,0,0,1,0,1|2,0,0]=4 2206 B8R1.51 NC1=NCC(O1)(C)C 1P01DXMR [0,0,0,1,0,1|1,0,1]=4 2207 B8R1.51 O=C1C=CC(N1)(C)C 1P028UO3 [0,0,0,1,0,1|1,0,1]=4 2208 B8R1.51 O=C1CCC(C1)(C)C 1P002AAG [0,0,0,1,0,1|2,0,0]=4 2209 B8R1.51 O=C1CCC(N1)(C)C 1P0034MN [0,0,0,1,0,1|1,0,0]=3 2210 B8R1.51 O=C1CCC(O1)(C)C 1P007IPY [0,0,0,1,0,1|2,0,0]=4 2211 B8R1.51 O=C1CNC(C1)(C)C 1P01A3P4 [0,0,0,1,0,1|2,0,0]=4 2212 B8R1.51 O=C1CNC(N1)(C)C 1P021LC1 [0,0,0,1,0,1|1,0,0]=3 2213 B8R1.51 O=C1COC(C1)(C)C 1P0039TO [0,0,0,1,0,1|2,0,0]=4 2214 B8R1.51 O=C1COC(O1)(C)C 1P003FRW [0,0,0,1,0,1|2,0,0]=4 2215 B8R1.51 O=C1NCC(C1)(C)C 1P003KWL [0,0,0,1,0,1|2,0,0]=4 2216 B8R1.51 O=C1NCC(N1)(C)C 1P002P2W [0,0,0,1,0,1|1,0,0]=3 2217 B8R1.51 O=C1NCC(O1)(C)C 1P00HCTB [0,0,0,1,0,1|2,0,0]=4 2218 B8R1.51 O=C1OCC(C1)(C)C 1P0019BQ [0,0,0,1,0,1|2,0,0]=4 2219 B8R1.51 O=C1OCC(N1)(C)C 1P003KWQ [0,0,0,1,0,1|1,0,0]=3 2220 B8R1.51 O=C1SCC(N1)(C)C 1P028YXF [0,0,0,1,0,1|1,0,0]=3 2221 B8R1.51 S=C1NCC(N1)(C)C 1P003KWF [0,0,0,1,0,1|1,1,0]=4 2222 B8R1.51 S=C1OCC(N1)(C)C 1P00DA5C [0,0,0,1,0,1|1,1,0]=4 2223 B8R1.77 CC(=O)C1CC1(C)C 1P004M9O [0,0,0,1,0,1|2,0,0]=4 2224 B8R1.77 ClC(=O)C1CC1(C)C 1P00DVL5 [0,0,0,1,0,1|2,0,0]=4 2225 B8R1.77 NC(=N)C1CC1(C)C 1P01B5FY [0,0,0,1,0,1|2,0,0]=4 2226 B8R1.77 NC(=O)C1CC1(C)C 1P0021R3 [0,0,0,1,0,1|1,0,0]=3 2227 B8R1.77 NC(=O)[C@@H]1CC1(C)C 1P003CKE [0,0,0,1,0,1|1,0,0]=3 2228 B8R1.77 NC(=O)[C@H]1CC1(C)C 1P003CWT [0,0,0,1,0,1|1,0,0]=3 2229 B8R1.77 NC(=S)C1CC1(C)C 1P01DVY6 [0,0,0,1,0,1|1,1,0]=4 2230 B8R1.77 OC(=O)C1CC1(C)C 1P00371E [0,0,0,1,0,1|2,0,0]=4 2231 B8R1.77 OC(=O)[C@H]1CC1(C)C 1P001DYP [0,0,0,1,0,1|2,0,0]=4 2232 B8R1.1 BrCC1CCC(=O)C1 1P027TUY [0,1,0,1,0,0|2,0,0]=4 2233 B8R1.1 BrCC1CNC(=O)C1 1P0198QJ [0,1,0,1,0,0|1,0,0]=3 2234 B8R1.1 BrCC1CNC(=O)O1 1P01B9HT [0,1,0,1,0,0|2,0,0]=4 2235 B8R1.1 BrCC1COC(=O)C1 1P028EBM [0,1,0,1,0,0|2,0,0]=4 2236 B8R1.1 C#CC1CNC(=O)C1 1P018IN0 [0,1,0,1,0,0|1,0,1]=4 2237 B8R1.1 CCC1CCC(=O)C1 1P0008HE [0,1,0,1,0,0|2,0,0]=4 2238 B8R1.1 CCC1CNC(=O)C1 1P0075T3 [0,1,0,1,0,0|1,0,0]=3 2239 B8R1.1 CCC1CNC(=O)O1 1P00C4QB [0,1,0,1,0,0|2,0,0]=4 2240 B8R1.1 CCC1COC(=O)C1 1P01QNJA [0,1,0,1,0,0|2,0,0]=4 2241 B8R1.1 CCN1CCC(C1)N 1P00AAZS [0,1,0,1,0,0|1,0,1]=4 2242 B8R1.1 CCN1CCC(C1)N 1P00G52R [0,1,0,1,0,0|1,0,1]=4 2243 B8R1.1 CCN1CC[C@@H](C1)N 1P00HTFN [0,1,0,1,0,0|1,0,1]=4 2244 B8R1.1 CNC1CCN(C1)C 1P003T1C [0,1,0,1,0,0|1,0,1]=4 2245 B8R1.1 CNC1CCN(C1)C 1P028C4F [0,1,0,1,0,0|1,0,1]=4 2246 B8R1.1 CNC1CNC(=O)C1 1P018SPE [0,1,0,1,0,0|1,0,0]=3 2247 B8R1.1 CN[C@@H]1CCN(C1)C 1P00IDHP [0,1,0,1,0,0|1,0,1]=4 2248 B8R1.1 CN[C@H]1CCN(C1)C 1P00IDHO [0,1,0,1,0,0|1,0,1]=4 2249 B8R1.1 CN[C@H]1CNC(=O)C1 1P01XHI8 [0,1,0,1,0,0|1,0,0]=3 2250 B8R1.1 COC1=CC(=O)NC1 1P003M3M [0,1,0,1,0,0|1,0,1]=4 2251 B8R1.1 COC1CNC(=O)C1 1P01B1U7 [0,1,0,1,0,0|1,0,0]=3 2252 B8R1.1 CON1CCC(C1)N 1P028JW1 [0,1,0,1,0,0|1,0,1]=4 2253 B8R1.1 CSC1CCC(=O)C1 1P0290A2 [0,1,0,1,0,0|2,0,0]=4 2254 B8R1.1 ClCC1CNC(=O)O1 1P0034PU [0,1,0,1,0,0|2,0,0]=4 2255 B8R1.1 ClC[C@@H]1CNC(=O)O1 1P00ANXX [0,1,0,1,0,0|2,0,0]=4 2256 B8R1.1 ICC1CNC(=O)C1 1P01C3B7 [0,1,0,1,0,0|1,0,0]=3 2257 B8R1.1 ICC1CNC(=O)O1 1P0290R7 [0,1,0,1,0,0|2,0,0]=4 2258 B8R1.1 N#CC1CNC(=O)C1 1P004ZWZ [0,1,0,1,0,0|1,0,1]=4 2259 B8R1.1 NCC1CCC(=O)C1 1P0285ZW [0,1,0,1,0,0|2,0,0]=4 2260 B8R1.1 NCC1CCN(C1)C 1P000UFG [0,1,0,1,0,0|1,0,1]=4 2261 B8R1.1 NCC1CNC(=O)C1 1P001CGK [0,1,0,1,0,0|1,0,0]=3 2262 B8R1.1 NCC1CNC(=O)C1 1P0064LK [0,1,0,1,0,0|1,0,0]=3 2263 B8R1.1 NCC1CNC(=O)C1 1P01DTQ3 [0,1,0,1,0,0|1,0,0]=3 2264 B8R1.1 NCC1CNC(=O)O1 1P001UZ2 [0,1,0,1,0,0|2,0,0]=4 2265 B8R1.1 NCC1COC(=O)C1 1P028UN9 [0,1,0,1,0,0|2,0,0]=4 2266 B8R1.1 NC[C@@H]1CCN(C1)C 1P001HSL [0,1,0,1,0,0|1,0,1]=4 2267 B8R1.1 NC[C@@H]1CNC(=O)C1 1P00HXCG [0,1,0,1,0,0|1,0,0]=3 2268 B8R1.1 NC[C@@H]1CNC(=O)O1 1P0026S8 [0,1,0,1,0,0|2,0,0]=4 2269 B8R1.1 NC[C@H]1CCN(C1)C 1P003ANW [0,1,0,1,0,0|1,0,1]=4 2270 B8R1.1 NC[C@H]1CNC(=O)O1 1P002DFQ [0,1,0,1,0,0|2,0,0]=4 2271 B8R1.1 OCC1CCC(=O)C1 1P01JUNL [0,1,0,1,0,0|2,0,0]=4 2272 B8R1.1 OCC1CNC(=O)C1 1P0034A5 [0,1,0,1,0,0|1,0,0]=3 2273 B8R1.1 OCC1CNC(=O)O1 1P003MO9 [0,1,0,1,0,0|2,0,0]=4 2274 B8R1.1 OCC1COC(=O)C1 1P00I7Q5 [0,1,0,1,0,0|2,0,0]=4 2275 B8R1.1 OC[C@@H]1CNC(=O)C1 1P01BO9A [0,1,0,1,0,0|1,0,0]=3 2276 B8R1.1 OC[C@@H]1CNC(=O)N1 1P028PHE [0,1,0,1,0,0|2,0,0]=4 2277 B8R1.1 OC[C@@H]1CNC(=O)O1 1P00IKGE [0,1,0,1,0,0|2,0,0]=4 2278 B8R1.1 OC[C@H]1CNC(=O)C1 1P0099ZX [0,1,0,1,0,0|1,0,0]=3 2279 B8R1.1 OC[C@H]1CNC(=O)O1 1P00IKGD [0,1,0,1,0,0|2,0,0]=4 2280 B8R1.4 CC1=CC(=O)NCC1 1P028DZG [0,1,0,1,0,0|1,0,1]=4 2281 B8R1.4 CC1CC(=O)C=CC1 1P005K9T [0,1,0,1,0,0|2,0,0]=4 2282 B8R1.4 CC1CCCC(=O)C1 1P003K7S [0,1,0,1,0,0|2,0,0]=4 2283 B8R1.4 CC1CCN=C(C1)N 1P001WKT [0,1,0,1,0,0|2,0,0]=4 2284 B8R1.4 CC1CCNC(=O)C1 1P003AHU [0,1,0,1,0,0|1,0,0]=3 2285 B8R1.4 CC1CCNC(=O)O1 1P028C5M [0,1,0,1,0,0|2,0,0]=4 2286 B8R1.4 CC1CCOC(=O)C1 1P00978J [0,1,0,1,0,0|2,0,0]=4 2287 B8R1.4 CC1CNCC(=O)C1 1P01FJTW [0,1,0,1,0,0|1,0,0]=3 2288 B8R1.4 CC1CNCC(=O)N1 1P003AKO [0,1,0,1,0,0|2,0,0]=4 2289 B8R1.4 CC1NCCC(=O)C1 1P0013IP [0,1,0,1,0,0|2,0,0]=4 2290 B8R1.4 CC1NCCC(=O)C1 1P01EKA7 [0,1,0,1,0,0|2,0,0]=4 2291 B8R1.4 CN1CCC=C(C1)Br 1P00CRD7 [0,1,0,1,0,0|2,0,0]=4 2292 B8R1.4 CN1CCC=C(C1)Br 1P00G4MX [0,1,0,1,0,0|2,0,0]=4 2293 B8R1.4 CN1CCCC(=C)C1 1P024VXN [0,1,0,1,0,0|2,0,0]=4 2294 B8R1.4 CN1CCCC(=O)C1 1P003EYJ [0,1,0,1,0,0|1,0,0]=3 2295 B8R1.4 CN1CCCC(=O)C1 1P00CJAF [0,1,0,1,0,0|1,0,0]=3 2296 B8R1.4 CN1CCCC(C1)N 1P00C61U [0,1,0,1,0,0|1,0,1]=4 2297 B8R1.4 CN1CCCC(C1)N 1P00GWCG [0,1,0,1,0,0|1,0,1]=4 2298 B8R1.4 CN1CCC[C@@H](C1)N 1P000HBR [0,1,0,1,0,0|1,0,1]=4 2299 B8R1.4 CN1CCC[C@@H](C1)N 1P00H3FC [0,1,0,1,0,0|1,0,1]=4 2300 B8R1.4 CN1CCC[C@H](C1)N 1P0001IH [0,1,0,1,0,0|1,0,1]=4 2301 B8R1.4 CN1CCC[C@H](C1)N 1P000HBS [0,1,0,1,0,0|1,0,1]=4 2302 B8R1.4 CN1CCNC(=O)C1 1P0038FX [0,1,0,1,0,0|0,0,0]=2 2303 B8R1.4 CN1CCNC(C1)C 1P001728 [0,1,0,1,0,0|1,0,1]=4 2304 B8R1.4 CN1CCNC(C1)C 1P00BDPC [0,1,0,1,0,0|1,0,1]=4 2305 B8R1.4 CN1CCN[C@@H](C1)C 1P000GWR [0,1,0,1,0,0|1,0,1]=4 2306 B8R1.4 CN1CCN[C@@H](C1)C 1P0092RN [0,1,0,1,0,0|1,0,1]=4 2307 B8R1.4 CN1CCN[C@@H](C1)C 1P01JVC5 [0,1,0,1,0,0|1,0,1]=4 2308 B8R1.4 CN1CCN[C@@H](C1)C 1P028J0O [0,1,0,1,0,0|1,0,1]=4 2309 B8R1.4 CN1CCN[C@H](C1)C 1P000GWQ [0,1,0,1,0,0|1,0,1]=4 2310 B8R1.4 CN1CCN[C@H](C1)C 1P000GY9 [0,1,0,1,0,0|1,0,1]=4 2311 B8R1.4 CN1CCOC(=O)C1 1P00AODD [0,1,0,1,0,0|1,0,0]=3 2312 B8R1.4 C[C@@H]1CCCC(=O)C1 1P003CM9 [0,1,0,1,0,0|2,0,0]=4 2313 B8R1.4 C[C@@H]1CNCC(=O)N1 1P000LY7 [0,1,0,1,0,0|2,0,0]=4 2314 B8R1.4 C[C@@H]1CNCC(=O)N1 1P00J39E [0,1,0,1,0,0|2,0,0]=4 2315 B8R1.4 C[C@@H]1NCCC(=O)C1 1P009YI7 [0,1,0,1,0,0|2,0,0]=4 2316 B8R1.4 C[C@@H]1NCCC(=O)C1 1P00IDGQ [0,1,0,1,0,0|2,0,0]=4 2317 B8R1.4 C[C@H]1CCCC(C1)=O 1P01KFQT [0,1,0,1,0,0|2,0,0]=4 2318 B8R1.4 C[C@H]1CNCC(=O)N1 1P00AO1X [0,1,0,1,0,0|2,0,0]=4 2319 B8R1.4 C[C@H]1CNCC(=O)N1 1P00BZA3 [0,1,0,1,0,0|2,0,0]=4 2320 B8R1.4 C[C@H]1NCCC(=O)C1 1P00HXCI [0,1,0,1,0,0|2,0,0]=4 2321 B8R1.4 FC1CCNC(=O)C1 1P024W9T [0,1,0,1,0,0|2,0,0]=4 2322 B8R1.4 NC1CCNC(=O)C1 1P000RYQ [0,1,0,1,0,0|2,0,0]=4 2323 B8R1.4 NC1CCNC(=O)C1 1P0036HL [0,1,0,1,0,0|2,0,0]=4 2324 B8R1.4 O=C1CCNC(=O)C1 1P003U9H [0,1,0,1,0,0|2,0,0]=4 2325 B8R1.4 O=C1CCOC(C1)C 1P000J00 [0,1,0,1,0,0|2,0,0]=4 2326 B8R1.4 O=C1CNCC(=O)C1 1P00FGYY [0,1,0,1,0,0|2,0,0]=4 2327 B8R1.4 O=S1CCNC(=O)C1 1P004B2D [0,1,0,1,0,0|2,0,0]=4 2328 B8R1.4 OC1CCNC(=O)C1 1P003LY9 [0,1,0,1,0,0|2,0,0]=4 2329 B8R1.4 O[C@@H]1CCNC(=O)C1 1P008SOD [0,1,0,1,0,0|2,0,0]=4 2330 B8R1.4 O[C@H]1CCNC(=O)C1 1P00DK2M [0,1,0,1,0,0|2,0,0]=4 2331 B8R1.18 CC1=NN(C(=O)C1)C 1P00I5O7 [0,1,0,1,0,0|2,0,0]=4 2332 B8R1.18 CC1CC(=O)N(C1)C 1P0039PD [0,1,0,1,0,0|1,0,0]=3 2333 B8R1.18 CC1CN(C(=O)O1)N 1P0289P1 [0,1,0,1,0,0|2,0,0]=4 2334 B8R1.18 CC1OC(=O)C(C1)N 1P01BBRO [0,1,0,1,0,0|2,0,0]=4 2335 B8R1.18 CN1CC(=O)C(C1)C 1P019Z88 [0,1,0,1,0,0|1,0,0]=3 2336 B8R1.18 CN1CC(C(=O)N1)N 1P019UFT [0,1,0,1,0,0|1,0,0]=3 2337 B8R1.18 CN1CC(C(C1)C)N 1P019T5O [0,1,0,1,0,0|1,0,1]=4 2338 B8R1.18 CN1CC(C(C1)N)F 1P0292L8 [0,1,0,1,0,0|1,0,1]=4 2339 B8R1.18 CN1C[C@@H]([C@H](C1)N)O 1P00J2I0 [0,1,0,1,0,0|0,0,2]=4 2340 B8R1.18 CN1C[C@H]([C@@H](C1)N)O 1P00J39D [0,1,0,1,0,0|0,0,2]=4 2341 B8R1.18 CN1C[C@H]([C@H](C1)N)O 1P002J64 [0,1,0,1,0,0|0,0,2]=4 2342 B8R1.18 Cc1[nH]c(=O)[nH]c1C 1P007TOE [0,1,0,1,0,0|2,0,0]=4 2343 B8R1.18 NC1=NC(=O)N(C1)C 1P019YTD [0,1,0,1,0,0|1,0,1]=4 2344 B8R1.18 NC1=NN(C(C1)C)C 1P01A4QM [0,1,0,1,0,0|2,0,0]=4 2345 B8R1.18 NC1CC(=O)N(C1)C 1P000K4W [0,1,0,1,0,0|2,0,0]=4 2346 B8R1.18 NC1CC(=O)N(C1)C 1P00GW44 [0,1,0,1,0,0|2,0,0]=4 2347 B8R1.18 NC1CC(=O)N(C1)O 1P028G1Y [0,1,0,1,0,0|2,0,0]=4 2348 B8R1.18 N[C@@H]1CC(=O)N(C1)C 1P01DZPD [0,1,0,1,0,0|2,0,0]=4 2349 B8R1.18 N[C@H]1CC(=O)N(C1)C 1P01BVFN [0,1,0,1,0,0|2,0,0]=4 2350 B8R1.18 Nc1nn(c(c1)C)C 1P0038HW [0,1,0,1,0,0|2,0,0]=4 2351 B8R1.18 Nc1nn(c(n1)C)C 1P00C67R [0,1,0,1,0,0|2,0,0]=4 2352 B8R1.18 O=C1C=C(C(C1)C)C 1P0030KJ [0,1,0,1,0,0|2,0,0]=4 2353 B8R1.18 O=C1C=C(C(N1)O)C 1P01EMD7 [0,1,0,1,0,0|1,0,1]=4 2354 B8R1.18 O=C1CC(C(=O)N1)C 1P00D9M8 [0,1,0,1,0,0|1,0,1]=4 2355 B8R1.18 O=C1CC(C(N1)C)O 1P0201AH [0,1,0,1,0,0|2,0,0]=4 2356 B8R1.18 O=C1CN(C(=O)C1)C 1P00CAXD [0,1,0,1,0,0|1,0,1]=4 2357 B8R1.18 O=C1CN(C(=O)N1)C 1P0037S9 [0,1,0,1,0,0|0,0,1]=3 2358 B8R1.18 O=C1CN(C(=O)N1)N 1P007LH1 [0,1,0,1,0,0|1,0,1]=4 2359 B8R1.18 O=C1CN(C(=O)O1)C 1P00EFNL [0,1,0,1,0,0|1,0,1]=4 2360 B8R1.18 O=C1CN(C(C1)C)C 1P01A0MF [0,1,0,1,0,0|1,0,0]=3 2361 B8R1.18 O=C1C[C@@H]([C@@H](N1)C)O 1P01JUQ0 [0,1,0,1,0,0|2,0,0]=4 2362 B8R1.18 O=C1N=C(N(C1)C)N 1P002GA0 [0,1,0,1,0,0|0,0,2]=4 2363 B8R1.18 O=C1NC(=N)N(C1)C 1P003PJH [0,1,0,1,0,0|0,0,1]=3 2364 B8R1.18 O=C1NC(C(C1)C)C 1P019TZT [0,1,0,1,0,0|1,0,0]=3 2365 B8R1.18 O=c1[nH]c(=O)n([nH]1)C 1P01BUES [0,1,0,1,0,0|1,0,1]=4 2366 B8R1.18 O=c1[nH]c(c(o1)C)C 1P00J30T [0,1,0,1,0,0|2,0,0]=4 2367 B8R1.18 O=c1[nH]c(c(s1)C)C 1P01DUSE [0,1,0,1,0,0|2,0,0]=4 2368 B8R1.18 O=c1[nH]n(c(=S)[nH]1)C 1P00I4U9 [0,1,0,1,0,0|1,0,1]=4 2369 B8R1.18 O=c1[nH]n(c(c1)C)C 1P00CVUD [0,1,0,1,0,0|1,0,1]=4 2370 B8R1.18 O=c1[nH]n(c(c1)C)C 1P01FMB6 [0,1,0,1,0,0|1,0,1]=4 2371 B8R1.18 OC1CC(=O)N(C1)C 1P01A405 [0,1,0,1,0,0|2,0,0]=4 2372 B8R1.18 O[C@@H]1CC(=O)N(C1)C 1P01B2BP [0,1,0,1,0,0|2,0,0]=4 2373 B8R1.18 O[C@H]1CC(=O)N(C1)C 1P01DWHO [0,1,0,1,0,0|2,0,0]=4 2374 B8R1.18 SC1CC(=O)N(C1)C 1P00CGQP [0,1,0,1,0,0|2,0,0]=4 2375 B8R1.29 N[C@H]1C(=O)SC1(C)C 1P01EIJE [0,1,0,1,0,0|2,0,0]=4 2376 B8R1.31 CC(C1CCC1=O)C 1P01BACW [0,1,0,1,0,0|2,0,0]=4 2377 B8R1.31 CC1CCC1C(=O)O 1P0037P5 [0,1,0,1,0,0|2,0,0]=4 2378 B8R1.31 CC1NCC1C(=O)O 1P00HZI9 [0,1,0,1,0,0|2,0,0]=4 2379 B8R1.31 CN1CCC1C(=O)O 1P01DYNI [0,1,0,1,0,0|1,0,0]=3 2380 B8R1.31 CN1CC[C@@H]1C(=O)O 1P00I5CE [0,1,0,1,0,0|1,0,0]=3 2381 B8R1.31 CN1CC[C@H]1C(=O)O 1P00I5CC [0,1,0,1,0,0|1,0,0]=3 2382 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P00I3DK [0,1,0,1,0,0|2,0,0]=4 2383 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P028NBG [0,1,0,1,0,0|2,0,0]=4 2384 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O 1P027KVO [0,1,0,1,0,0|2,0,0]=4 2385 B8R1.31 N[C@@H]1CC[C@H]1N(C)C 1P028L0C [0,1,0,1,0,0|1,0,1]=4 2386 B8R1.34 CC(=O)CC1CCC1 1P000UO9 [0,1,0,1,0,0|2,0,0]=4 2387 B8R1.34 CC(=O)CC1COC1 1P009ABG [0,1,0,1,0,0|2,0,0]=4 2388 B8R1.34 CN(CC1CNC1)C 1P005HXH [0,1,0,1,0,0|1,0,1]=4 2389 B8R1.34 CN(CC1CNC1)C 1P00CVOQ [0,1,0,1,0,0|1,0,1]=4 2390 B8R1.34 CN(C[C@@H]1CCN1)C 1P027OXW [0,1,0,1,0,0|1,0,1]=4 2391 B8R1.34 CN(C[C@@H]1CCN1)C 1P027XYN [0,1,0,1,0,0|1,0,1]=4 2392 B8R1.34 CN(C[C@H]1CCN1)C 1P022384 [0,1,0,1,0,0|1,0,1]=4 2393 B8R1.34 CN(C[C@H]1CCN1)C 1P0290NT [0,1,0,1,0,0|1,0,1]=4 2394 B8R1.34 NC(=N)CC1CCC1 1P01A5YB [0,1,0,1,0,0|2,0,0]=4 2395 B8R1.34 NC(=O)CC1CNC1 1P01BHMC [0,1,0,1,0,0|1,0,0]=3 2396 B8R1.34 NC(=O)NC1CCC1 1P0059OR [0,1,0,1,0,0|2,0,0]=4 2397 B8R1.34 NC(=O)NC1CNC1 1P027Z9D [0,1,0,1,0,0|2,0,0]=4 2398 B8R1.34 NC(=O)NC1COC1 1P028WOH [0,1,0,1,0,0|2,0,0]=4 2399 B8R1.34 NC(=O)OC1CNC1 1P01EJI1 [0,1,0,1,0,0|2,0,0]=4 2400 B8R1.34 NC(=S)CC1CCC1 1P01DVSV [0,1,0,1,0,0|1,1,0]=4 2401 B8R1.34 OC(=O)CC1CCC1 1P003PKJ [0,1,0,1,0,0|2,0,0]=4 2402 B8R1.34 OC(=O)CC1CCO1 1P019GW7 [0,1,0,1,0,0|2,0,0]=4 2403 B8R1.34 OC(=O)CC1CNC1 1P00HFRP [0,1,0,1,0,0|2,0,0]=4 2404 B8R1.34 OC(=O)CC1CNC1 1P00IJDE [0,1,0,1,0,0|2,0,0]=4 2405 B8R1.34 OC(=O)CC1COC1 1P000VTU [0,1,0,1,0,0|2,0,0]=4 2406 B8R1.34 OC(=O)CC1CSC1 1P01BG1E [0,1,0,1,0,0|2,0,0]=4 2407 B8R1.34 OC(=O)CN1CCC1 1P01A2PZ [0,1,0,1,0,0|1,0,0]=3 2408 B8R1.34 [O-]C(=O)CC1CCO1 1P027UZR [0,1,0,1,0,0|2,0,0]=4 2409 B8R1.34 [O-]C(=O)CC1COC1 1P01B2AJ [0,1,0,1,0,0|2,0,0]=4 2410 B8R1.40 BrCC(=O)CC1CC1 1P00G1VU [0,1,0,1,0,0|2,0,0]=4 2411 B8R1.40 C=CC(=O)CC1CC1 1P01DWD3 [0,1,0,1,0,0|2,0,0]=4 2412 B8R1.40 CCC(=O)CC1CC1 1P001GFJ [0,1,0,1,0,0|2,0,0]=4 2413 B8R1.40 CNC(=N)CC1CC1 1P02897F [0,1,0,1,0,0|2,0,0]=4 2414 B8R1.40 COC(=O)CC1CC1 1P00CMNN [0,1,0,1,0,0|2,0,0]=4 2415 B8R1.40 ClCC(=O)CC1CC1 1P024UKQ [0,1,0,1,0,0|2,0,0]=4 2416 B8R1.40 NCC(=O)CC1CC1 1P028472 [0,1,0,1,0,0|1,0,0]=3 2417 B8R1.40 NCC(=O)NC1CC1 1P008UWK [0,1,0,1,0,0|2,0,0]=4 2418 B8R1.40 NCC(=O)NC1CC1 1P00IC4R [0,1,0,1,0,0|2,0,0]=4 2419 B8R1.40 NNC(=O)CC1CC1 1P019YFO [0,1,0,1,0,0|1,0,0]=3 2420 B8R1.40 NNC(=O)NC1CC1 1P019Y79 [0,1,0,1,0,0|2,0,0]=4 2421 B8R1.40 O\N=C(\CC1CC1)/N 1P00J329 [0,1,0,1,0,0|1,0,1]=4 2422 B8R1.42 CC(=O)CC1(C)CC1 1P001AJS [0,1,0,1,0,0|2,0,0]=4 2423 B8R1.42 CN(CC1(N)CC1)C 1P00HW7Y [0,1,0,1,0,0|1,0,1]=4 2424 B8R1.42 NC(=N)CC1(C)CC1 1P027WY2 [0,1,0,1,0,0|2,0,0]=4 2425 B8R1.42 NC(=O)CC1(N)CC1 1P028H0S [0,1,0,1,0,0|1,0,0]=3 2426 B8R1.42 OC(=O)CC1(C)CC1 1P00FH9D [0,1,0,1,0,0|2,0,0]=4 2427 B8R1.42 OC(=O)CC1(N)CC1 1P01A4QZ [0,1,0,1,0,0|2,0,0]=4 2428 B8R1.42 OC(=O)CC1(O)CC1 1P01BAKB [0,1,0,1,0,0|2,0,0]=4 2429 B8R1.43 CCC1CC1C(=O)O 1P006GY6 [0,1,0,1,0,0|2,0,0]=4 2430 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O 1P01C7Q9 [0,1,0,1,0,0|2,0,0]=4 2431 B8R1.43 CO[C@@H]1C[C@H]1C(=O)C 1P009O61 [0,1,0,1,0,0|2,0,0]=4 2432 B8R1.43 ClCC1CC1C(=O)O 1P01JJ25 [0,1,0,1,0,0|2,0,0]=4 2433 B8R1.43 ClC[C@@H]1C[C@H]1C(=O)O 1P01JVD8 [0,1,0,1,0,0|2,0,0]=4 2434 B8R1.43 FCC1CC1C(=O)O 1P01JUKL [0,1,0,1,0,0|2,0,0]=4 2435 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O 1P00CORM [0,1,0,1,0,0|2,0,0]=4 2436 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O 1P028TSL [0,1,0,1,0,0|2,0,0]=4 2437 B8R1.43 OCC1CC1C(=O)[O-] 1P028XET [0,1,0,1,0,0|2,0,0]=4 2438 B8R1.43 OC[C@@H]1C[C@@H]1C(=O)[O-] 1P028IWL [0,1,0,1,0,0|2,0,0]=4 2439 B8R1.43 OC[C@@H]1C[C@H]1C(=O)[O-] 1P027YS4 [0,1,0,1,0,0|2,0,0]=4 2440 B8R1.62 BrCC1(C)CC(=O)C1 1P028BTV [0,1,0,1,0,0|2,0,0]=4 2441 B8R1.62 CC1(CCl)CC(=O)N1 1P00IY4F [0,1,0,1,0,0|1,0,0]=3 2442 B8R1.62 CC1(CN)CC(=O)N1 1P02904O [0,1,0,1,0,0|1,0,0]=3 2443 B8R1.62 NCC1(O)CN(C1)C 1P027VNJ [0,1,0,1,0,0|0,0,2]=4 2444 B8R1.62 OCC1(C)CC(=O)C1 1P00HYHH [0,1,0,1,0,0|2,0,0]=4 2445 B8R1.67 C[C@@H]1[C@@H](C1C(=O)O)C 1P028N8Y [0,1,0,1,0,0|2,0,0]=4 2446 B8R1.67 C[C@@H]1[C@@H]([C@H]1C(=O)O)C 1P021JS7 [0,1,0,1,0,0|2,0,0]=4 2447 B8R1.83 CC1CC1C(=O)NN 1P00F6Q6 [0,1,0,1,0,0|1,0,0]=3 2448 B8R1.83 CCC(=O)C1CC1C 1P01C3BK [0,1,0,1,0,0|2,0,0]=4 2449 B8R1.83 COC(=O)C1CC1C 1P0068H0 [0,1,0,1,0,0|2,0,0]=4 2450 B8R1.56 NS(=O)(=O)CC1CC1 1P00DLBM [0,1,0,1,0,0|2,0,0]=4 2451 B8R1.30 C[C@@H]1C[C@@]1(F)C(=O)O 1P028ZKJ [0,1,0,1,0,0|2,0,0]=4 2452 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O 1P028UQQ [0,1,0,1,0,0|2,0,0]=4 2453 B8R1.30 C[C@@]1(C[C@@H]1C)C(=O)O 1P028YCV [0,1,0,1,0,0|2,0,0]=4 2454 B8R1.30 C[C@H]1C[C@]1(F)C(=O)O 1P0290MU [0,1,0,1,0,0|2,0,0]=4 2455 B8R1.30 C[C@]1(C[C@H]1C)C(=O)O 1P01C7Q5 [0,1,0,1,0,0|2,0,0]=4 2456 B8R1.50 CC1C(C)CNC1=O 1P01AV3O [0,1,0,1,0,0|1,0,0]=3 2457 B8R1.50 CC1COC(=O)C1N 1P028GSQ [0,1,0,1,0,0|2,0,0]=4 2458 B8R1.50 CC1COC(=O)C1O 1P028RX6 [0,1,0,1,0,0|2,0,0]=4 2459 B8R1.50 CN1C(C)CNC1=O 1P01CA33 [0,1,0,1,0,0|2,0,0]=4 2460 B8R1.50 CN1CCC(=O)C1=O 1P00D7QX [0,1,0,1,0,0|1,0,1]=4 2461 B8R1.50 CN1CCC(=O)C1C 1P01BSAN [0,1,0,1,0,0|1,0,0]=3 2462 B8R1.50 C[C@H]1[C@H](C)CNC1=O 1P028A96 [0,1,0,1,0,0|1,0,0]=3 2463 B8R1.50 O=C1NN=C(C1Br)C 1P006WOY [0,1,0,1,0,0|2,0,0]=4 2464 B8R1.50 O=C1NN=C(C1C)C 1P00FE1X [0,1,0,1,0,0|2,0,0]=4 2465 B8R1.54 CC(C(=N)N)C1CC1 1P01A6LR [0,1,0,1,0,0|2,0,0]=4 2466 B8R1.54 CC(C(=O)C)C1CC1 1P005F92 [0,1,0,1,0,0|2,0,0]=4 2467 B8R1.54 CC(C(=O)O)C1CC1 1P00VTSG [0,1,0,1,0,0|2,0,0]=4 2468 B8R1.54 C[C@@H](C(=O)O)C1CC1 1P028PB9 [0,1,0,1,0,0|2,0,0]=4 2469 B8R1.54 C[C@H](C(=O)O)C1CC1 1P028PW1 [0,1,0,1,0,0|2,0,0]=4 2470 B8R1.54 FC(C(=O)O)C1CC1 1P01BUGL [0,1,0,1,0,0|2,0,0]=4 2471 B8R1.54 NC(C(=O)C)C1CC1 1P028JHZ [0,1,0,1,0,0|2,0,0]=4 2472 B8R1.54 NC(C(=O)N)C1CC1 1P01EIIT [0,1,0,1,0,0|1,0,0]=3 2473 B8R1.54 NC(C(=O)O)C1CC1 1P0016W6 [0,1,0,1,0,0|2,0,0]=4 2474 B8R1.54 NC(C(=O)O)C1CC1 1P001Q82 [0,1,0,1,0,0|2,0,0]=4 2475 B8R1.54 N[C@@H](C(=O)O)C1CC1 1P003A9M [0,1,0,1,0,0|2,0,0]=4 2476 B8R1.54 N[C@H](C(=O)O)C1CC1 1P00DEHK [0,1,0,1,0,0|2,0,0]=4 2477 B8R1.54 O=C(O)C(N)C1CC1 1P01FX3H [0,1,0,1,0,0|2,0,0]=4 2478 B8R1.54 OC(C(=N)N)C1CC1 1P027TPM [0,1,0,1,0,0|2,0,0]=4 2479 B8R1.54 OC(C(=O)N)C1CC1 1P019ZIU [0,1,0,1,0,0|1,0,0]=3 2480 B8R1.54 OC(C(=O)O)C1CC1 1P01AH2D [0,1,0,1,0,0|2,0,0]=4 2481 B8R1.54 O[C@H](C(=O)O)C1CC1 1P01XA3U [0,1,0,1,0,0|2,0,0]=4 2482 B8R2.4 O=C1CC2CC1C2 1P006UW5 [0,0,0,2,0,0|2,0,0]=4 2483 B8R2.18 O=C1CC2C(C1)C2 1P0077Y0 [0,0,0,2,0,0|2,0,0]=4 2484 B8R2.18 O=C1CC2C(N1)C2 1P01JVJA [0,0,0,2,0,0|1,0,0]=3 2485 B8R2.38 O=C1CCC2C1C2 1P00724D [0,0,0,2,0,0|2,0,0]=4 2486 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 1P01DY7L [0,0,0,2,0,0|2,0,0]=4 2487 B8R2.38 O=C1NCC2C1C2 1P0011BS [0,0,0,2,0,0|1,0,0]=3 2488 B8R2.38 O=C1NC[C@@H]2[C@H]1C2 1P01FYY3 [0,0,0,2,0,0|1,0,0]=3 2489 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 1P020A2J [0,0,0,2,0,0|1,0,0]=3 2490 B8R2.66 [O-]C(=O)C12CC1C2 1P01AVDA [0,0,0,2,0,0|2,0,0]=4 2491 B8R2.66 [O-]C(=O)C12CC1C2 1P027RT3 [0,0,0,2,0,0|2,0,0]=4 2492 B8R2.53 O=C1CC2(C1)CC2 1P002DBC [0,0,0,2,0,0|2,0,0]=4 2493 B8R0.28 CC(=CCN=C(N)N)C 1P01E93R [0,0,0,0,0,2|2,0,0]=4 2494 B8R0.28 CC(=O)CCC=C(C)C 1P003NR6 [0,0,0,0,0,2|2,0,0]=4 2495 B8R0.28 CC(=O)OCC=C(C)C 1P000INH [0,0,0,0,0,2|2,0,0]=4 2496 B8R0.28 CC(CCCC(=O)C)C 1P003NRC [0,0,0,0,0,2|2,0,0]=4 2497 B8R0.28 CC(CCNC(=O)C)C 1P0038AX [0,0,0,0,0,2|2,0,0]=4 2498 B8R0.28 CC(CCNC(=O)N)C 1P00EZOW [0,0,0,0,0,2|1,0,0]=3 2499 B8R0.28 CC(CCNC(=S)N)C 1P00G2IA [0,0,0,0,0,2|1,1,0]=4 2500 B8R0.28 CC(CCOC(=O)C)C 1P000KEB [0,0,0,0,0,2|2,0,0]=4 2501 B8R0.28 CC(CCOC(=O)Cl)C 1P00EM5G [0,0,0,0,0,2|2,0,0]=4 2502 B8R0.28 CC(CNCC(=O)C)C 1P01C40Z [0,0,0,0,0,2|2,0,0]=4 2503 B8R0.28 CC(CNCC(=O)N)C 1P019LYO [0,0,0,0,0,2|1,0,0]=3 2504 B8R0.28 CC(CNCC(=O)O)C 1P007IVW [0,0,0,0,0,2|2,0,0]=4 2505 B8R0.28 CC(CNCC(=O)O)C 1P01AAQB [0,0,0,0,0,2|2,0,0]=4 2506 B8R0.28 CC(CSCC(=O)C)C 1P01AH6M [0,0,0,0,0,2|2,0,0]=4 2507 B8R0.28 CC(CSCC(=O)O)C 1P00BWG5 [0,0,0,0,0,2|2,0,0]=4 2508 B8R0.28 CC(NCCC(=O)N)C 1P002DMJ [0,0,0,0,0,2|1,0,0]=3 2509 B8R0.28 CC(NCCC(=O)O)C 1P00I55W [0,0,0,0,0,2|2,0,0]=4 2510 B8R0.28 CC(OCCC(=N)N)C 1P01A2K9 [0,0,0,0,0,2|2,0,0]=4 2511 B8R0.28 CC(OCCC(=O)Cl)C 1P01B23N [0,0,0,0,0,2|2,0,0]=4 2512 B8R0.28 CC(OCCC(=O)O)C 1P019MSC [0,0,0,0,0,2|2,0,0]=4 2513 B8R0.28 CC(\C=C\CC(=O)O)C 1P01IP9Q [0,0,0,0,0,2|2,0,0]=4 2514 B8R0.28 CN(CC#CC(=O)O)C 1P01NGIB [0,0,0,0,0,2|1,0,0]=3 2515 B8R0.28 CN(CC#CC(=O)[O-])C 1P01ACWI [0,0,0,0,0,2|1,0,0]=3 2516 B8R0.28 CN(CC=CC(=O)O)C 1P003KOC [0,0,0,0,0,2|1,0,0]=3 2517 B8R0.28 CN(CCCC(=N)N)C 1P01A6U6 [0,0,0,0,0,2|1,0,0]=3 2518 B8R0.28 CN(CCCC(=O)C)C 1P00C0OS [0,0,0,0,0,2|1,0,0]=3 2519 B8R0.28 CN(CCCC(=O)Cl)C 1P01BAO9 [0,0,0,0,0,2|1,0,0]=3 2520 B8R0.28 CN(CCCC(=O)O)C 1P0034HC [0,0,0,0,0,2|1,0,0]=3 2521 B8R0.28 CN(CCCC(=O)O)C 1P0034HD [0,0,0,0,0,2|1,0,0]=3 2522 B8R0.28 CN(CCCC(=S)N)C 1P019XPY [0,0,0,0,0,2|0,1,0]=3 2523 B8R0.28 CN(CCNC(=N)N)C 1P01AJV4 [0,0,0,0,0,2|1,0,0]=3 2524 B8R0.28 CN(CCNC(=O)N)C 1P01ANES [0,0,0,0,0,2|0,0,0]=2 2525 B8R0.28 CN(CCNC(=S)N)C 1P028IU9 [0,0,0,0,0,2|0,1,0]=3 2526 B8R0.28 CN(CCNC(=S)[S-])C 1P01DTTD [0,0,0,0,0,2|1,1,0]=4 2527 B8R0.28 CN(CCOC(=O)C)C 1P001I9K [0,0,0,0,0,2|1,0,0]=3 2528 B8R0.28 CN(CCSC(=N)N)C 1P001SN2 [0,0,0,0,0,2|1,0,0]=3 2529 B8R0.28 CN(C\C=C/C(=O)[O-])C 1P023U1C [0,0,0,0,0,2|1,0,0]=3 2530 B8R0.28 CN(C\C=C\C(=O)O)C 1P001MAY [0,0,0,0,0,2|1,0,0]=3 2531 B8R0.28 CN(C\C=C\C(=O)O)C 1P0036C7 [0,0,0,0,0,2|1,0,0]=3 2532 B8R0.28 NC(=N)NCC=C(C)C 1P01UNY2 [0,0,0,0,0,2|2,0,0]=4 2533 B8R0.28 NC(=O)CONC(=O)C 1P0290SC [0,0,0,0,0,2|2,0,0]=4 2534 B8R0.28 OC(=O)CCC=C(C)C 1P00EDMO [0,0,0,0,0,2|2,0,0]=4