0 B6R1.2 BrC1=CSC=N1 SY005274 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 BrC1=CSN=C1 SY009259 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1=NSC=C1 SY039106 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 C=C1CCNC1 SY038558 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 CC1=CSC=N1 SY004152 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 CC1=NCCC1 SY015490 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 CC1CCCN1 SY042657 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 CN1CCNC1 SY251230 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 C[C@H]1CCCN1 SY019821 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 C[C@H]1CCNC1 SY097402 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 C[S+]1CCCC1 SY251130 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 ClC1CCOC1 SY185690 [0,0,0,0,0,0|1,1,1]=3 14 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 FC1CCNC1 SY032538 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 F[C@H]1CCNC1 SY008512 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 IC1=CSC=C1 SY030129 [0,0,0,0,0,0|1,0,3]=4 19 B6R1.2 IC1CCCC1 SY019127 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 IC1CCOC1 SY042009 [0,0,0,0,0,0|1,1,1]=3 21 B6R1.2 NC1=CSC=C1 SY003022 [0,0,0,0,0,0|1,0,3]=4 22 B6R1.2 NC1=CSC=C1 SY098699 [0,0,0,0,0,0|1,0,3]=4 23 B6R1.2 NC1=CSC=N1 SY017948 [0,0,0,0,0,0|2,0,2]=4 24 B6R1.2 NC1=CSN=C1 SY241022 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 NC1=NCCC1 SY030217 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 NC1CC=CC1 SY019807 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 NC1CCNC1 SY005919 [0,0,0,0,0,0|2,0,1]=3 28 B6R1.2 NC1CCOC1 SY003277 [0,0,0,0,0,0|1,1,1]=3 29 B6R1.2 NC1CCOC1 SY042059 [0,0,0,0,0,0|1,1,1]=3 30 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,0,0,0,0,0|1,1,1]=3 31 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,0,0,0,0,0|1,1,1]=3 32 B6R1.2 N[C@H]1CCNC1 SY057131 [0,0,0,0,0,0|2,0,1]=3 33 B6R1.2 N[C@H]1CCOC1 SY020664 [0,0,0,0,0,0|1,1,1]=3 34 B6R1.2 N[C@H]1CCOC1 SY024406 [0,0,0,0,0,0|1,1,1]=3 35 B6R1.2 O=C1C=CCN1 SY032773 [0,0,0,0,0,0|2,0,1]=3 36 B6R1.2 O=C1C=CCO1 SY017893 [0,0,0,0,0,0|2,0,1]=3 37 B6R1.2 O=C1C=CNN1 SY022755 [0,0,0,0,0,0|2,0,2]=4 38 B6R1.2 O=C1C=CSN1 SY045488 [0,0,0,0,0,0|1,0,2]=3 39 B6R1.2 O=C1CC=NN1 SY211686 [0,0,0,0,0,0|2,0,1]=3 40 B6R1.2 O=C1CCNC1 SY019727 [0,0,0,0,0,0|1,0,0]=1 41 B6R1.2 O=C1CCNN1 SY073624 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.2 O=C1CCOC1 SY003100 [0,0,0,0,0,0|0,1,0]=1 43 B6R1.2 O=C1N=CNN1 SY014481 [0,0,0,0,0,0|3,0,1]=4 44 B6R1.2 O=C1NC=CN1 SY006094 [0,0,0,0,0,0|3,0,1]=4 45 B6R1.2 O=C1NCCO1 SY003480 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 O=C1NCCS1 SY037960 [0,0,0,0,0,0|3,0,0]=3 47 B6R1.2 O=C1OC=CO1 SY001314 [0,0,0,0,0,0|3,0,1]=4 48 B6R1.2 O=S1OCCO1 SY036937 [0,0,0,0,0,0|4,0,0]=4 49 B6R1.2 OC1CC=CC1 SY007884 [0,0,0,0,0,0|1,0,3]=4 50 B6R1.2 OC1CCCO1 SY016132 [0,0,0,0,0,0|2,0,2]=4 51 B6R1.2 OC1CCNC1 SY001203 [0,0,0,0,0,0|1,0,2]=3 52 B6R1.2 OC1CCNC1 SY003143 [0,0,0,0,0,0|1,0,2]=3 53 B6R1.2 OC1CCOC1 SY003288 [0,0,0,0,0,0|0,1,2]=3 54 B6R1.2 OC1CCSC1 SY185762 [0,0,0,0,0,0|0,0,2]=2 55 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,0,0,0,0,0|1,0,2]=3 56 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,0,0,0,0,0|1,0,2]=3 57 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,0,0,0,0,0|0,1,2]=3 58 B6R1.2 O[C@@H]1CNOC1 SY021787 [0,0,0,0,0,0|1,1,2]=4 59 B6R1.2 O[C@H]1CCNC1 SY003190 [0,0,0,0,0,0|1,0,2]=3 60 B6R1.2 O[C@H]1CCNC1 SY007382 [0,0,0,0,0,0|1,0,2]=3 61 B6R1.2 O[C@H]1CCOC1 SY003096 [0,0,0,0,0,0|0,1,2]=3 62 B6R1.2 O[C@H]1CNOC1 SY021785 [0,0,0,0,0,0|1,1,2]=4 63 B5R1.1 C1=CCC=C1 SY010219 [1,0,0,0,0,0|1,0,2]=4 64 B5R1.1 C1=CCNC1 SY012047 [1,0,0,0,0,0|1,0,1]=3 65 B7R1.1 BrCC1CCOC1 SY042030 [0,1,0,0,0,0|1,1,1]=4 66 B7R1.1 C#CC1CCCC1 SY047862 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.1 C#CC1CCNC1 SY284818 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.1 CNC1CCOC1 SY048009 [0,1,0,0,0,0|1,1,1]=4 69 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,1,0,0,0,0|1,1,1]=4 70 B7R1.1 COC1CCNC1 SY043121 [0,1,0,0,0,0|1,0,2]=4 71 B7R1.1 COC1CCNC1 SY097408 [0,1,0,0,0,0|1,0,2]=4 72 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,1,0,0,0,0|1,0,2]=4 73 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,1,0,0,0,0|1,0,2]=4 74 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,1,0,0,0,0|1,0,2]=4 75 B7R1.1 FCC1CCNC1 SY265543 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.1 N#CC1=CCOC1 SY296040 [0,1,0,0,0,0|1,1,1]=4 77 B7R1.1 N#CC1CCNC1 SY021188 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.1 N#CC1CCOC1 SY042080 [0,1,0,0,0,0|1,1,1]=4 79 B7R1.1 N#C[C@@H]1CCNC1 SY096996 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 NCC1CCCC1 SY013219 [0,1,0,0,0,0|2,0,1]=4 81 B7R1.1 NCC1CCCC1 SY025882 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.1 NCC1CCOC1 SY042027 [0,1,0,0,0,0|1,1,1]=4 83 B7R1.1 NN[C@@H]1CCOC1 SY295255 [0,1,0,0,0,0|1,1,1]=4 84 B7R1.1 O=CC1=CSC=N1 SY019858 [0,1,0,0,0,0|1,0,2]=4 85 B7R1.1 O=CC1CCCC1 SY004589 [0,1,0,0,0,0|1,0,1]=3 86 B7R1.1 O=CC1CCCO1 SY024520 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.1 O=CC1CCOC1 SY046752 [0,1,0,0,0,0|0,1,1]=3 88 B7R1.1 O=CN1CCCC1 SY252984 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.1 O=NN1CCCC1 SY115826 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 OCC1CCCC1 SY006011 [0,1,0,0,0,0|1,0,2]=4 91 B7R1.1 OCC1CCNC1 SY018506 [0,1,0,0,0,0|1,0,2]=4 92 B7R1.1 OCC1CCNC1 SY021497 [0,1,0,0,0,0|1,0,2]=4 93 B7R1.1 OCC1CCOC1 SY030918 [0,1,0,0,0,0|0,1,2]=4 94 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,1,0,0,0,0|1,0,2]=4 95 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,1,0,0,0,0|1,0,2]=4 96 B7R1.2 CC1=NNC(=O)C1 SY010796 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.2 CC1CCC(=O)C1 SY003033 [0,1,0,0,0,0|1,0,0]=2 98 B7R1.2 CC1CCC(=O)O1 SY011304 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.2 CC1CCC(N)C1 SY156765 [0,1,0,0,0,0|2,0,1]=4 100 B7R1.2 CC1CNC(=O)C1 SY065050 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.2 CC1COC(=O)N1 SY037847 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.2 CN1CCC(O)C1 SY005849 [0,1,0,0,0,0|1,0,2]=4 103 B7R1.2 CN1CC[C@@H](N)C1 SY096941 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.2 CN1CC[C@@H](O)C1 SY031540 [0,1,0,0,0,0|1,0,2]=4 105 B7R1.2 CN1CC[C@H](N)C1 SY096895 [0,1,0,0,0,0|2,0,1]=4 106 B7R1.2 CN1CC[C@H](O)C1 SY003953 [0,1,0,0,0,0|1,0,2]=4 107 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,1,0,0,0,0|3,0,0]=4 109 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [0,1,0,0,0,0|1,0,2]=4 110 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,1,0,0,0,0|3,0,0]=4 111 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [0,1,0,0,0,0|1,0,2]=4 113 B7R1.2 NC1=NC(=O)CS1 SY034788 [0,1,0,0,0,0|1,0,1]=3 114 B7R1.2 NC1CCC(O)C1 SY097023 [0,1,0,0,0,0|1,0,2]=4 115 B7R1.2 NN1CCC(F)C1 SY308388 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SY021340 [0,1,0,0,0,0|1,0,2]=4 117 B7R1.2 N[C@@H]1CC[C@H](O)C1 SY045306 [0,1,0,0,0,0|1,0,2]=4 118 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.2 N[C@H]1CC[C@@H](O)C1 SY198445 [0,1,0,0,0,0|1,0,2]=4 120 B7R1.2 N[C@H]1CC[C@H](O)C1 SY021301 [0,1,0,0,0,0|1,0,2]=4 121 B7R1.2 N[C@H]1CC[C@H](O)C1 SY259001 [0,1,0,0,0,0|1,0,2]=4 122 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.2 O=C1CC(O)CN1 SY031844 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,1,0,0,0,0|1,0,0]=2 125 B7R1.2 O=C1CCC(O)C1 SY040217 [0,1,0,0,0,0|1,0,0]=2 126 B7R1.2 O=C1COC(=O)C1 SY048546 [0,1,0,0,0,0|0,1,1]=3 127 B7R1.2 O=C1CSC(=O)N1 SY001546 [0,1,0,0,0,0|1,0,1]=3 128 B7R1.2 O=C1CSC(=S)N1 SY037748 [0,1,0,0,0,0|1,0,1]=3 129 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.2 O=C1OCC(F)O1 SY017141 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.4 C=C1CCOC1=O SY013907 [0,1,0,0,0,0|1,1,1]=4 135 B7R1.4 CC1=CCNC1=O SY295114 [0,1,0,0,0,0|2,0,1]=4 136 B7R1.4 CC1CCCC1=O SY045483 [0,1,0,0,0,0|1,0,0]=2 137 B7R1.4 CC1CCOC1=O SY051660 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.4 CC1OCCC1=O SY001818 [0,1,0,0,0,0|0,1,0]=2 139 B7R1.4 CC1SCCC1=O SY003998 [0,1,0,0,0,0|0,0,0]=1 140 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,1,0,0,0,0|1,0,2]=4 141 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,1,0,0,0,0|2,0,1]=4 142 B7R1.4 F[C@@H]1CNC[C@H]1F SY270347 [0,1,0,0,0,0|2,0,1]=4 143 B7R1.4 F[C@H]1CNC[C@@H]1F SY301499 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.4 F[C@H]1CNC[C@H]1F SY302340 [0,1,0,0,0,0|2,0,1]=4 145 B7R1.4 NC1CCCC1O SY004734 [0,1,0,0,0,0|1,0,2]=4 146 B7R1.4 NC1CCOC1=O SY111957 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.4 NC1CCSC1=O SY038927 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.4 NN1CCCC1=O SY105332 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.4 NN1CCOC1=O SY038618 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [0,1,0,0,0,0|1,0,2]=4 151 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [0,1,0,0,0,0|1,0,2]=4 152 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [0,1,0,0,0,0|1,0,2]=4 153 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [0,1,0,0,0,0|1,0,2]=4 154 B7R1.4 N[C@@H]1CCNC1=O SY034730 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.4 N[C@@H]1COC[C@@H]1N SY097056 [0,1,0,0,0,0|1,1,1]=4 157 B7R1.4 N[C@@H]1CONC1=O SY005636 [0,1,0,0,0,0|1,1,0]=3 158 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [0,1,0,0,0,0|1,0,2]=4 159 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [0,1,0,0,0,0|1,0,2]=4 160 B7R1.4 N[C@H]1CCNC1=O SY022467 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,1,0,0,0,0|0,1,2]=4 164 B7R1.4 O=C1CCCC1=O SY057516 [0,1,0,0,0,0|1,0,1]=3 165 B7R1.4 O=C1CCCC1F SY200677 [0,1,0,0,0,0|1,0,0]=2 166 B7R1.4 O=C1NCCC1Br SY067750 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.4 O=C1NCCC1O SY017439 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.4 O=C1NCC[C@@H]1O SY020466 [0,1,0,0,0,0|2,0,0]=3 169 B7R1.4 O=C1OCC=C1Br SY017900 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.4 O=C1OCCC1Br SY001762 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.4 O=C1OCCC1O SY052569 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.4 OC1CCCC1F SY273252 [0,1,0,0,0,0|1,0,2]=4 174 B7R1.4 OC1CCCC1O SY007557 [0,1,0,0,0,0|1,0,2]=4 175 B7R1.4 OC1COCC1Br SY262931 [0,1,0,0,0,0|0,1,2]=4 176 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [0,1,0,0,0,0|1,0,2]=4 177 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [0,1,0,0,0,0|1,0,2]=4 178 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,1,0,0,0,0|1,0,2]=4 179 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,1,0,0,0,0|1,0,2]=4 180 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,1,0,0,0,0|1,0,2]=4 181 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,1,0,0,0,0|1,0,2]=4 182 B7R1.14 CC1(C)CCNC1 SY042120 [0,1,0,0,0,0|2,0,1]=4 183 B7R1.14 CC1(O)CCNC1 SY036721 [0,1,0,0,0,0|1,0,2]=4 184 B7R1.14 C[C@@]1(O)CCNC1 SY233757 [0,1,0,0,0,0|1,0,2]=4 185 B7R1.14 C[C@@]1(O)CCNC1 SY310803 [0,1,0,0,0,0|1,0,2]=4 186 B7R1.14 C[C@]1(O)CCNC1 SY233715 [0,1,0,0,0,0|1,0,2]=4 187 B7R1.14 C[C@]1(O)CCNC1 SY233747 [0,1,0,0,0,0|1,0,2]=4 188 B7R1.14 FC1(F)CCNC1 SY008515 [0,1,0,0,0,0|2,0,1]=4 189 B7R1.14 O=P1(Cl)CCCC1 SY266748 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.14 O=S1(=O)CCCN1 SY022751 [0,1,0,0,0,0|3,0,0]=4 191 B5R0.1 C#CCC(=O)O SY040154 [0,0,1,0,0,0|2,0,1]=4 192 B5R0.1 CC#CC(C)=O SY262884 [0,0,1,0,0,0|1,0,1]=3 193 B5R0.1 CC(=O)CCN SY263173 [0,0,1,0,0,0|1,0,0]=2 194 B5R0.1 CC(=O)CCO SY002849 [0,0,1,0,0,0|0,1,0]=2 195 B5R0.1 CC(=O)NCO SY047960 [0,0,1,0,0,0|1,1,0]=3 196 B5R0.1 CC(=O)OCBr SY051438 [0,0,1,0,0,0|2,0,0]=3 197 B5R0.1 CC(=O)\C=N/O SY112549 [0,0,1,0,0,0|1,1,1]=4 198 B5R0.1 CC(I)=CCI SY237855 [0,0,1,0,0,0|2,0,1]=4 199 B5R0.1 CC(N)CCF SY299085 [0,0,1,0,0,0|2,0,1]=4 200 B5R0.1 CC(N)CCO SY030187 [0,0,1,0,0,0|1,1,1]=4 201 B5R0.1 CC(O)CCBr SY216789 [0,0,1,0,0,0|1,0,2]=4 202 B5R0.1 CCC[C@@H](C)O SY045083 [0,0,1,0,0,0|1,0,2]=4 203 B5R0.1 CCNC(C)=O SY016499 [0,0,1,0,0,0|2,0,0]=3 204 B5R0.1 CN(C)CCBr SY004492 [0,0,1,0,0,0|3,0,0]=4 205 B5R0.1 CN(C)CCI SY219257 [0,0,1,0,0,0|3,0,0]=4 206 B5R0.1 CN(C)CCI SY247759 [0,0,1,0,0,0|3,0,0]=4 207 B5R0.1 CN(C)CCI SY247769 [0,0,1,0,0,0|3,0,0]=4 208 B5R0.1 CNCC(=O)O SY001630 [0,0,1,0,0,0|2,0,0]=3 209 B5R0.1 CNCC(C)O SY083968 [0,0,1,0,0,0|1,0,2]=4 210 B5R0.1 CNCC(N)=O SY059741 [0,0,1,0,0,0|2,0,0]=3 211 B5R0.1 CNC[C@H](C)O SY131109 [0,0,1,0,0,0|1,0,2]=4 212 B5R0.1 COCC(=N)N SY019943 [0,0,1,0,0,0|2,1,0]=4 213 B5R0.1 COCC(C)Br SY074290 [0,0,1,0,0,0|1,1,1]=4 214 B5R0.1 COC[C@@H](C)N SY034826 [0,0,1,0,0,0|1,1,1]=4 215 B5R0.1 COC[C@@H](C)N SY056838 [0,0,1,0,0,0|1,1,1]=4 216 B5R0.1 CSCC(N)=O SY040648 [0,0,1,0,0,0|1,0,0]=2 217 B5R0.1 CSCS(C)=O SY049552 [0,0,1,0,0,0|1,0,0]=2 218 B5R0.1 C[C@@H](O)CCO SY049450 [0,0,1,0,0,0|0,1,2]=4 219 B5R0.1 C[C@H](N)CCO SY022986 [0,0,1,0,0,0|1,1,1]=4 220 B5R0.1 C\C(I)=C/CI SY237856 [0,0,1,0,0,0|2,0,1]=4 221 B5R0.1 C\C(I)=C\CI SY237854 [0,0,1,0,0,0|2,0,1]=4 222 B5R0.1 C\C(I)=C\CO SY246995 [0,0,1,0,0,0|1,1,1]=4 223 B5R0.1 C\C(I)=C\CO SY252919 [0,0,1,0,0,0|1,1,1]=4 224 B5R0.1 NC(=O)CCBr SY014886 [0,0,1,0,0,0|2,0,0]=3 225 B5R0.1 NCCC(N)=O SY024863 [0,0,1,0,0,0|2,0,0]=3 226 B5R0.1 NCCC(N)=O SY101590 [0,0,1,0,0,0|2,0,0]=3 227 B5R0.1 NCC[N+](=O)[O-] SY279282 [0,0,1,0,0,0|3,0,0]=4 228 B5R0.1 O=C(O)CCF SY008508 [0,0,1,0,0,0|2,0,0]=3 229 B5R0.1 O=C(O)CCO SY003982 [0,0,1,0,0,0|1,1,0]=3 230 B5R0.1 O=[N+]([O-])CCO SY008757 [0,0,1,0,0,0|2,1,0]=4 231 B5R0.2 C#CCCOC SY261977 [0,0,1,0,0,0|1,1,1]=4 232 B5R0.2 C=CCCCCl SY115227 [0,0,1,0,0,0|3,0,0]=4 233 B5R0.2 C=CCCCN SY039810 [0,0,1,0,0,0|3,0,0]=4 234 B5R0.2 C=CCCON SY201687 [0,0,1,0,0,0|2,1,0]=4 235 B5R0.2 C=CCCON SY281557 [0,0,1,0,0,0|2,1,0]=4 236 B5R0.2 CCC#CC=O SY301692 [0,0,1,0,0,0|1,0,1]=3 237 B5R0.2 CCCCNN SY048097 [0,0,1,0,0,0|3,0,0]=4 238 B5R0.2 CCCCON SY013356 [0,0,1,0,0,0|3,0,0]=4 239 B5R0.2 CCCCON SY019069 [0,0,1,0,0,0|3,0,0]=4 240 B5R0.2 CNCCSC SY020435 [0,0,1,0,0,0|2,0,0]=3 241 B5R0.2 COCCNN SY048076 [0,0,1,0,0,0|2,1,0]=4 242 B5R0.2 N#CCCC=O SY273827 [0,0,1,0,0,0|2,0,0]=3 243 B5R0.3 C=C(CI)CI SY280389 [0,0,1,0,0,0|3,0,0]=4 244 B5R0.3 C=C(CO)CO SY009429 [0,0,1,0,0,0|2,1,0]=4 245 B5R0.3 C=CC(=O)NC SY057550 [0,0,1,0,0,0|2,0,1]=4 246 B5R0.3 CCC(Br)CC SY050135 [0,0,1,0,0,0|2,0,1]=4 247 B5R0.3 CC[C@@H](N)CO SY049464 [0,0,1,0,0,0|1,1,1]=4 248 B5R0.3 CC[C@H](N)CF SY045883 [0,0,1,0,0,0|2,0,1]=4 249 B5R0.3 CNC(=O)CBr SY106596 [0,0,1,0,0,0|2,0,0]=3 250 B5R0.3 CNC(=O)CCl SY003250 [0,0,1,0,0,0|2,0,0]=3 251 B5R0.3 CNC(=O)CN SY024913 [0,0,1,0,0,0|2,0,0]=3 252 B5R0.3 CNC(=O)CN SY066423 [0,0,1,0,0,0|2,0,0]=3 253 B5R0.3 CNC(=O)NC SY004507 [0,0,1,0,0,0|3,0,0]=4 254 B5R0.3 COC(=O)CN SY001589 [0,0,1,0,0,0|2,0,0]=3 255 B5R0.3 COC(=O)CO SY003097 [0,0,1,0,0,0|1,1,0]=3 256 B5R0.3 NNC(=O)CO SY059283 [0,0,1,0,0,0|2,1,0]=4 257 B5R0.3 O=C(CO)CO SY038299 [0,0,1,0,0,0|1,1,0]=3 258 B7R2.11 C1NC2CC1C2 SY098317 [0,0,0,1,0,0|2,0,1]=4 259 B7R2.13 C1CC2CC2C1 SY274842 [0,0,0,1,0,0|2,0,1]=4 260 B7R2.13 C1NCC2CC12 SY029030 [0,0,0,1,0,0|2,0,1]=4 261 B7R2.13 C1OCC2OC12 SY018458 [0,0,0,1,0,0|0,1,2]=4 262 B5R1.2 BrC1CCC1 SY013810 [0,0,0,0,1,0|1,0,1]=3 263 B5R1.2 BrC1CNC1 SY097761 [0,0,0,0,1,0|2,0,1]=4 264 B5R1.2 CC1CCN1 SY099118 [0,0,0,0,1,0|2,0,1]=4 265 B5R1.2 CC1CNC1 SY056983 [0,0,0,0,1,0|2,0,1]=4 266 B5R1.2 C[C@@H]1CCN1 SY261901 [0,0,0,0,1,0|2,0,1]=4 267 B5R1.2 C[C@H]1CCN1 SY249704 [0,0,0,0,1,0|2,0,1]=4 268 B5R1.2 ClC1COC1 SY059296 [0,0,0,0,1,0|1,1,1]=4 269 B5R1.2 FC1CNC1 SY018074 [0,0,0,0,1,0|2,0,1]=4 270 B5R1.2 IC1CCC1 SY233989 [0,0,0,0,1,0|1,0,1]=3 271 B5R1.2 IC1COC1 SY009160 [0,0,0,0,1,0|1,1,1]=4 272 B5R1.2 NC1CCC1 SY013751 [0,0,0,0,1,0|1,0,1]=3 273 B5R1.2 NC1CNC1 SY033623 [0,0,0,0,1,0|2,0,1]=4 274 B5R1.2 NC1COC1 SY009105 [0,0,0,0,1,0|1,1,1]=4 275 B5R1.2 NC1CSC1 SY097616 [0,0,0,0,1,0|1,0,1]=3 276 B5R1.2 O=C1CNC1 SY027144 [0,0,0,0,1,0|1,0,0]=2 277 B5R1.2 O=C1COC1 SY003915 [0,0,0,0,1,0|0,1,0]=2 278 B5R1.2 OC1CNC1 SY002482 [0,0,0,0,1,0|1,0,2]=4 279 B5R1.2 OC1COC1 SY002910 [0,0,0,0,1,0|0,1,2]=4 280 B5R1.2 OC1CSC1 SY099721 [0,0,0,0,1,0|0,0,2]=3 281 B7R1.3 BrC1=CCCCC1 SY253165 [0,0,0,0,0,1|2,0,0]=3 282 B7R1.3 BrC1CCCOC1 SY005937 [0,0,0,0,0,1|1,1,1]=4 283 B7R1.3 BrC1CCNCC1 SY013399 [0,0,0,0,0,1|2,0,1]=4 284 B7R1.3 BrC1CCOCC1 SY002700 [0,0,0,0,0,1|1,1,1]=4 285 B7R1.3 C=C1CCNCC1 SY022740 [0,0,0,0,0,1|2,0,0]=3 286 B7R1.3 CC1=CC=CCC1 SY292105 [0,0,0,0,0,1|2,0,1]=4 287 B7R1.3 CC1=CCCC=C1 SY292104 [0,0,0,0,0,1|2,0,1]=4 288 B7R1.3 CC1CNCCO1 SY008226 [0,0,0,0,0,1|2,0,1]=4 289 B7R1.3 CC1COCCN1 SY028991 [0,0,0,0,0,1|1,1,1]=4 290 B7R1.3 CN1CCNCC1 SY102030 [0,0,0,0,0,1|3,0,0]=4 291 B7R1.3 CN1CCOCC1 SY262844 [0,0,0,0,0,1|2,1,0]=4 292 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,0,0,0,0,1|2,0,1]=4 293 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,0,0,0,0,1|2,0,1]=4 294 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,0,0,0,0,1|2,0,1]=4 295 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,0,0,0,0,1|2,0,1]=4 296 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,0,0,0,0,1|1,1,1]=4 297 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,0,0,0,0,1|1,1,1]=4 298 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,0,0,0,0,1|2,0,1]=4 299 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,0,0,0,0,1|2,0,1]=4 300 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,0,0,0,0,1|2,0,1]=4 301 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,0,0,0,0,1|2,0,1]=4 302 B7R1.3 C[C@H]1COCCN1 SY002673 [0,0,0,0,0,1|1,1,1]=4 303 B7R1.3 C[C@H]1COCCN1 SY023874 [0,0,0,0,0,1|1,1,1]=4 304 B7R1.3 ClC1CCNCC1 SY046580 [0,0,0,0,0,1|2,0,1]=4 305 B7R1.3 ClC1CCOCC1 SY051140 [0,0,0,0,0,1|1,1,1]=4 306 B7R1.3 FC1CCCNC1 SY010384 [0,0,0,0,0,1|2,0,1]=4 307 B7R1.3 FC1CCNCC1 SY010389 [0,0,0,0,0,1|2,0,1]=4 308 B7R1.3 FC1CCNCC1 SY020129 [0,0,0,0,0,1|2,0,1]=4 309 B7R1.3 IC1CCOCC1 SY004489 [0,0,0,0,0,1|1,1,1]=4 310 B7R1.3 NC1=NCCCN1 SY042627 [0,0,0,0,0,1|3,0,0]=4 311 B7R1.3 NC1=NCCCN1 SY270826 [0,0,0,0,0,1|3,0,0]=4 312 B7R1.3 NC1CCCNC1 SY020460 [0,0,0,0,0,1|2,0,1]=4 313 B7R1.3 NC1CCOCC1 SY013112 [0,0,0,0,0,1|1,1,1]=4 314 B7R1.3 NC1CCSCC1 SY042938 [0,0,0,0,0,1|1,0,1]=3 315 B7R1.3 N[C@@H]1CCCNC1 SY008763 [0,0,0,0,0,1|2,0,1]=4 316 B7R1.3 N[C@@H]1CCCOC1 SY023981 [0,0,0,0,0,1|1,1,1]=4 317 B7R1.3 N[C@H]1CCCNC1 SY009305 [0,0,0,0,0,1|2,0,1]=4 318 B7R1.3 N[C@H]1CCCOC1 SY023980 [0,0,0,0,0,1|1,1,1]=4 319 B7R1.3 O=C1C=CCCN1 SY259179 [0,0,0,0,0,1|1,0,1]=3 320 B7R1.3 O=C1CC=CCN1 SY270920 [0,0,0,0,0,1|1,0,1]=3 321 B7R1.3 O=C1CCCCN1 SY011119 [0,0,0,0,0,1|1,0,0]=2 322 B7R1.3 O=C1CCCCO1 SY018264 [0,0,0,0,0,1|1,0,0]=2 323 B7R1.3 O=C1CCCCS1 SY222230 [0,0,0,0,0,1|1,0,0]=2 324 B7R1.3 O=C1CCCNC1 SY025656 [0,0,0,0,0,1|1,0,0]=2 325 B7R1.3 O=C1CCCOC1 SY003102 [0,0,0,0,0,1|0,1,0]=2 326 B7R1.3 O=C1CCNCC1 SY002027 [0,0,0,0,0,1|1,0,0]=2 327 B7R1.3 O=C1CCNCC1 SY107185 [0,0,0,0,0,1|1,0,0]=2 328 B7R1.3 O=C1CCSCC1 SY007101 [0,0,0,0,0,1|0,0,0]=1 329 B7R1.3 O=C1CNCCN1 SY002559 [0,0,0,0,0,1|1,0,0]=2 330 B7R1.3 O=C1CNCCO1 SY047308 [0,0,0,0,0,1|1,0,0]=2 331 B7R1.3 O=C1COCCN1 SY003974 [0,0,0,0,0,1|0,1,0]=2 332 B7R1.3 O=C1COCCO1 SY055447 [0,0,0,0,0,1|0,1,0]=2 333 B7R1.3 O=C1CSCCN1 SY082963 [0,0,0,0,0,1|0,0,0]=1 334 B7R1.3 O=C1NCCCO1 SY005699 [0,0,0,0,0,1|2,0,0]=3 335 B7R1.3 OC1CC=CCC1 SY264800 [0,0,0,0,0,1|1,0,2]=4 336 B7R1.3 OC1CCCCO1 SY009592 [0,0,0,0,0,1|1,0,2]=4 337 B7R1.3 OC1CCCNC1 SY002024 [0,0,0,0,0,1|1,0,2]=4 338 B7R1.3 OC1CCCOC1 SY021770 [0,0,0,0,0,1|0,1,2]=4 339 B7R1.3 OC1CCNCC1 SY025543 [0,0,0,0,0,1|1,0,2]=4 340 B7R1.3 OC1CCOCC1 SY002687 [0,0,0,0,0,1|0,1,2]=4 341 B7R1.3 OC1CCSCC1 SY019603 [0,0,0,0,0,1|0,0,2]=3 342 B7R1.3 OC1COCOC1 SY039164 [0,0,0,0,0,1|0,1,2]=4 343 B7R1.3 ON1CCNCC1 SY248545 [0,0,0,0,0,1|2,0,1]=4 344 B7R1.3 O[C@@H]1CCCNC1 SY017793 [0,0,0,0,0,1|1,0,2]=4 345 B7R1.3 O[C@H]1CCCNC1 SY020871 [0,0,0,0,0,1|1,0,2]=4 346 B4R0.1 C=C(C)CN SY018445 [1,0,1,0,0,0|2,0,0]=4 347 B4R0.1 CC(=O)CN SY018511 [1,0,1,0,0,0|1,0,0]=3 348 B4R0.1 CCC(=N)N SY018521 [1,0,1,0,0,0|2,0,0]=4 349 B4R0.1 CCC(N)=O SY048276 [1,0,1,0,0,0|1,0,0]=3 350 B4R0.1 CCS(=O)[O-] SY005659 [1,0,1,0,0,0|1,1,0]=4 351 B4R0.1 CC[C@H](C)N SY059203 [1,0,1,0,0,0|1,0,1]=4 352 B4R0.1 CNC(N)=O SY018863 [1,0,1,0,0,0|2,0,0]=4 353 B4R0.1 CSC(=N)N SY001378 [1,0,1,0,0,0|2,0,0]=4 354 B4R0.1 NCC(N)=O SY003860 [1,0,1,0,0,0|2,0,0]=4 355 B4R0.1 NCC(N)=O SY104505 [1,0,1,0,0,0|2,0,0]=4 356 B4R0.1 O=C([O-])CI SY066613 [1,0,1,0,0,0|1,1,0]=4 357 B4R0.2 C=CCCN SY036713 [1,0,1,0,0,0|1,0,1]=4 358 B4R0.2 CC=CC[Pd+2] SY070788 [1,0,1,0,0,0|1,0,1]=4 359 B4R0.2 CCCNN SY048075 [1,0,1,0,0,0|2,0,0]=4 360 B4R0.2 CCCON SY096737 [1,0,1,0,0,0|2,0,0]=4 361 B4R0.2 CCOC=N SY041120 [1,0,1,0,0,0|1,1,0]=4 362 B4R0.2 CNCCBr SY044997 [1,0,1,0,0,0|2,0,0]=4 363 B4R0.2 CNCCF SY122542 [1,0,1,0,0,0|2,0,0]=4 364 B4R0.2 CNCCN SY023647 [1,0,1,0,0,0|2,0,0]=4 365 B4R0.2 COCCI SY248715 [1,0,1,0,0,0|1,1,0]=4 366 B6R0.1 C=CCC(=O)OC SY025883 [0,1,1,0,0,0|1,0,1]=4 367 B6R0.1 CC#CC(=O)OC SY012646 [0,1,1,0,0,0|1,0,1]=4 368 B6R0.1 CCC(=O)CC#N SY004535 [0,1,1,0,0,0|1,0,1]=4 369 B6R0.1 CCC(=O)COC SY190908 [0,1,1,0,0,0|0,1,0]=3 370 B6R0.1 CCCC(=O)NN SY060413 [0,1,1,0,0,0|2,0,0]=4 371 B6R0.1 CCNC(=O)CCl SY024489 [0,1,1,0,0,0|2,0,0]=4 372 B6R0.1 CCOC(=O)CN SY002226 [0,1,1,0,0,0|2,0,0]=4 373 B6R0.1 CCOC(=O)CO SY002762 [0,1,1,0,0,0|2,0,0]=4 374 B6R0.1 CN(C=O)CCO SY038247 [0,1,1,0,0,0|1,1,0]=4 375 B6R0.1 CNC(=O)CC#N SY032593 [0,1,1,0,0,0|1,0,1]=4 376 B6R0.1 CNC(=O)CCO SY083761 [0,1,1,0,0,0|0,1,0]=3 377 B6R0.1 COC(=O)CCBr SY002337 [0,1,1,0,0,0|1,0,0]=3 378 B6R0.1 COC(=O)CCN SY004831 [0,1,1,0,0,0|1,0,0]=3 379 B6R0.1 COC(=O)CCO SY008913 [0,1,1,0,0,0|0,1,0]=3 380 B6R0.1 COC(=O)OCCl SY047554 [0,1,1,0,0,0|2,0,0]=4 381 B6R0.1 COCC(=O)NN SY109583 [0,1,1,0,0,0|1,1,0]=4 382 B6R0.1 O=C(CCCl)NO SY159080 [0,1,1,0,0,0|2,0,0]=4 383 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [0,1,1,0,0,0|1,1,0]=4 384 B6R0.2 CC(=O)NC(C)C SY107538 [0,1,1,0,0,0|2,0,0]=4 385 B6R0.2 CC(=O)OC(C)Br SY067153 [0,1,1,0,0,0|2,0,0]=4 386 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,1,1,0,0,0|1,0,1]=4 387 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,1,1,0,0,0|1,0,1]=4 388 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,1,1,0,0,0|1,0,1]=4 389 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,1,1,0,0,0|1,0,1]=4 390 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,1,1,0,0,0|1,0,1]=4 391 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,1,1,0,0,0|1,0,1]=4 392 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,1,1,0,0,0|1,0,1]=4 393 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,1,1,0,0,0|2,0,0]=4 394 B6R0.2 CC(N)CC(=O)O SY022577 [0,1,1,0,0,0|2,0,0]=4 395 B6R0.2 CN(C)CC(=O)O SY001194 [0,1,1,0,0,0|2,0,0]=4 396 B6R0.2 CN(C)CC(=O)O SY005006 [0,1,1,0,0,0|2,0,0]=4 397 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,1,1,0,0,0|2,0,0]=4 398 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,1,1,0,0,0|2,0,0]=4 399 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,1,1,0,0,0|1,1,0]=4 400 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,1,1,0,0,0|2,0,0]=4 401 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,1,1,0,0,0|2,0,0]=4 402 B6R0.3 CCC(Br)C(N)=O SY031102 [0,1,1,0,0,0|2,0,0]=4 403 B6R0.3 CCC(N)C(=O)O SY005223 [0,1,1,0,0,0|2,0,0]=4 404 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,1,1,0,0,0|2,0,0]=4 405 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,1,1,0,0,0|2,0,0]=4 406 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,1,1,0,0,0|2,0,0]=4 407 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [0,1,1,0,0,0|2,0,0]=4 408 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,1,1,0,0,0|2,0,0]=4 409 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,1,1,0,0,0|2,0,0]=4 410 B6R0.3 CC[C@H](N)C(N)=O SY020529 [0,1,1,0,0,0|2,0,0]=4 411 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,1,1,0,0,0|2,0,0]=4 412 B6R0.3 CNC(C)C(=O)O SY006014 [0,1,1,0,0,0|2,0,0]=4 413 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [0,1,1,0,0,0|2,0,0]=4 414 B6R0.3 CN[C@H](C)C(=O)O SY024216 [0,1,1,0,0,0|2,0,0]=4 415 B6R0.3 COC(C)C(=O)O SY034306 [0,1,1,0,0,0|1,1,0]=4 416 B6R0.3 CON(C)C(C)=O SY004033 [0,1,1,0,0,0|1,1,0]=4 417 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,1,1,0,0,0|1,1,0]=4 418 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,1,1,0,0,0|2,0,0]=4 419 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,1,1,0,0,0|2,0,0]=4 420 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,1,1,0,0,0|2,0,0]=4 421 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,1,1,0,0,0|2,0,0]=4 422 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [0,1,1,0,0,0|1,1,0]=4 423 B6R0.3 NC(CO)C(=O)O SY003812 [0,1,1,0,0,0|1,1,0]=4 424 B6R0.3 NC(CS)C(=O)O SY009625 [0,1,1,0,0,0|1,0,0]=3 425 B6R0.3 NCC(Br)C(=O)O SY297906 [0,1,1,0,0,0|2,0,0]=4 426 B6R0.3 NCC(N)C(=O)O SY017516 [0,1,1,0,0,0|2,0,0]=4 427 B6R0.3 NCC(O)C(=O)O SY007745 [0,1,1,0,0,0|2,0,0]=4 428 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,1,1,0,0,0|2,0,0]=4 429 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,1,1,0,0,0|2,0,0]=4 430 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,1,1,0,0,0|2,0,0]=4 431 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,1,1,0,0,0|2,0,0]=4 432 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,1,1,0,0,0|1,1,0]=4 433 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,1,1,0,0,0|1,0,0]=3 434 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,1,1,0,0,0|2,0,0]=4 435 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,1,1,0,0,0|1,1,0]=4 436 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,1,1,0,0,0|1,0,0]=3 437 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,1,1,0,0,0|1,0,0]=3 438 B6R0.3 O=C(O)C(Br)CO SY261671 [0,1,1,0,0,0|1,1,0]=4 439 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,1,1,0,0,0|1,1,0]=4 440 B6R0.4 CC(=O)CCCO SY002852 [0,1,1,0,0,0|0,1,0]=3 441 B6R0.4 CC(=O)NCCN SY313725 [0,1,1,0,0,0|1,0,0]=3 442 B6R0.4 CCCOC(N)=O SY114484 [0,1,1,0,0,0|2,0,0]=4 443 B6R0.4 CNCCC(=O)O SY005345 [0,1,1,0,0,0|2,0,0]=4 444 B6R0.4 CNCCC(=O)O SY112486 [0,1,1,0,0,0|2,0,0]=4 445 B6R0.4 COCCC(=O)O SY028921 [0,1,1,0,0,0|1,1,0]=4 446 B6R0.4 CO\C=C\C(C)=O SY029615 [0,1,1,0,0,0|0,1,1]=4 447 B6R0.4 N#CCCC(=O)O SY008516 [0,1,1,0,0,0|2,0,0]=4 448 B6R0.4 NC(=O)NCCO SY038945 [0,1,1,0,0,0|1,1,0]=4 449 B6R0.4 NCCCC(N)=O SY174709 [0,1,1,0,0,0|2,0,0]=4 450 B6R0.4 O=C(O)CCCBr SY001501 [0,1,1,0,0,0|2,0,0]=4 451 B6R0.5 CS(=O)(=O)CCBr SY020452 [0,1,1,0,0,0|2,0,0]=4 452 B6R0.5 CS(=O)(=O)CCN SY006994 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.5 CS(=O)(=O)CCO SY049666 [0,1,1,0,0,0|1,1,0]=4 454 B6R0.5 CSCC(C)(C)N SY196988 [0,1,1,0,0,0|1,0,1]=4 455 B6R0.6 C=CCCCCO SY020861 [0,1,1,0,0,0|2,0,0]=4 456 B6R0.6 O=CCCCCCl SY024458 [0,1,1,0,0,0|1,0,0]=3 457 B6R0.6 O=CCCCCO SY047027 [0,1,1,0,0,0|1,0,0]=3 458 B6R0.6 O=CNCCCO SY261924 [0,1,1,0,0,0|2,0,0]=4 459 B6R0.9 CCN(CC)N=O SY053647 [0,1,1,0,0,0|2,0,0]=4 460 B6R0.9 C\C=C(\C=O)CC SY265075 [0,1,1,0,0,0|1,0,1]=4 461 B6R1.4 CC1CCC1O SY161762 [0,1,0,0,1,0|0,0,2]=4 462 B6R1.4 O=C1CCC1Br SY234041 [0,1,0,0,1,0|0,0,0]=2 463 B6R1.4 OC1CCC1O SY301012 [0,1,0,0,1,0|0,0,2]=4 464 B6R1.5 CC1CC(O)C1 SY203262 [0,1,0,0,1,0|0,0,2]=4 465 B6R1.5 CN1CC(N)C1 SY022763 [0,1,0,0,1,0|2,0,0]=4 466 B6R1.5 CN1CC(O)C1 SY017235 [0,1,0,0,1,0|2,0,0]=4 467 B6R1.5 CN1CC(O)C1 SY029236 [0,1,0,0,1,0|2,0,0]=4 468 B6R1.5 NC1CC(=O)C1 SY022838 [0,1,0,0,1,0|0,0,0]=2 469 B6R1.5 NC1CC(F)C1 SY097608 [0,1,0,0,1,0|1,0,1]=4 470 B6R1.5 NC1CC(O)C1 SY016148 [0,1,0,0,1,0|0,0,2]=4 471 B6R1.5 NC1CC(O)C1 SY025077 [0,1,0,0,1,0|0,0,2]=4 472 B6R1.5 N[C@H]1C[C@@H](O)C1 SY035914 [0,1,0,0,1,0|0,0,2]=4 473 B6R1.5 N[C@H]1C[C@@H](O)C1 SY039961 [0,1,0,0,1,0|0,0,2]=4 474 B6R1.5 N[C@H]1C[C@H](F)C1 SY099957 [0,1,0,0,1,0|1,0,1]=4 475 B6R1.5 N[C@H]1C[C@H](O)C1 SY035915 [0,1,0,0,1,0|0,0,2]=4 476 B6R1.5 O=C1CC(Br)C1 SY029031 [0,1,0,0,1,0|0,0,0]=2 477 B6R1.5 OC1CC(O)C1 SY233801 [0,1,0,0,1,0|0,0,2]=4 478 B6R1.6 ICC1CCC1 SY073415 [0,1,0,0,1,0|1,0,1]=4 479 B6R1.6 NCC1CCC1 SY035875 [0,1,0,0,1,0|1,0,1]=4 480 B6R1.6 O=CC1CCC1 SY019700 [0,1,0,0,1,0|0,0,1]=3 481 B6R1.6 O=CC1COC1 SY097875 [0,1,0,0,1,0|0,1,1]=4 482 B6R1.6 ON=C1CCC1 SY185260 [0,1,0,0,1,0|0,0,1]=3 483 B6R1.10 CC1(N)CCC1 SY025586 [0,1,0,0,1,0|1,0,1]=4 484 B6R1.10 CC1(O)CCC1 SY196215 [0,1,0,0,1,0|0,0,2]=4 485 B8R1.2 N#CC1CCSCC1 SY019840 [0,1,0,0,0,1|1,0,1]=4 486 B8R1.2 O=CC1CCCCN1 SY239012 [0,1,0,0,0,1|1,0,1]=4 487 B8R1.2 O=CC1CCSCC1 SY014498 [0,1,0,0,0,1|0,0,1]=3 488 B8R1.2 O=CC1COCCO1 SY277014 [0,1,0,0,0,1|0,1,1]=4 489 B8R1.2 O=CN1CCOCC1 SY004785 [0,1,0,0,0,1|1,1,0]=4 490 B8R1.2 OCC1CCSCC1 SY019602 [0,1,0,0,0,1|0,0,2]=4 491 B8R1.2 ON=C1CCCCC1 SY011165 [0,1,0,0,0,1|1,0,1]=4 492 B8R1.3 CC1=NNC(=O)CC1 SY023987 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.3 CC1C=CC(=O)CC1 SY100224 [0,1,0,0,0,1|1,0,1]=4 494 B8R1.3 CC1CNC(=O)CO1 SY032981 [0,1,0,0,0,1|0,1,0]=3 495 B8R1.3 NC1CCC(=O)CC1 SY017243 [0,1,0,0,0,1|1,0,0]=3 496 B8R1.3 NC1CCC(=O)NC1 SY022821 [0,1,0,0,0,1|1,0,0]=3 497 B8R1.3 N[C@@H]1CCC(=O)NC1 SY036453 [0,1,0,0,0,1|1,0,0]=3 498 B8R1.3 O=C1CCC(=O)CC1 SY002914 [0,1,0,0,0,1|1,0,0]=3 499 B8R1.3 O=C1CCC(Br)CC1 SY275581 [0,1,0,0,0,1|1,0,0]=3 500 B8R1.3 O=C1CCC(O)CC1 SY005938 [0,1,0,0,0,1|1,0,0]=3 501 B8R1.3 O=C1CCC(O)CN1 SY034611 [0,1,0,0,0,1|1,0,0]=3 502 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [0,1,0,0,0,1|1,0,0]=3 503 B8R1.3 OC1CSC(O)CS1 SY003519 [0,1,0,0,0,1|0,0,2]=4 504 B8R1.4 CC1=CC(=O)CCC1 SY011435 [0,1,0,0,0,1|1,0,1]=4 505 B8R1.4 CC1CCCC(=O)N1 SY033090 [0,1,0,0,0,1|1,0,0]=3 506 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,1,0,0,0,1|1,0,0]=3 507 B8R1.4 CC1CCNC(=O)C1 SY033089 [0,1,0,0,0,1|1,0,0]=3 508 B8R1.4 CN1CCCC(=O)C1 SY023480 [0,1,0,0,0,1|1,0,0]=3 509 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [0,1,0,0,0,1|1,0,0]=3 510 B8R1.4 C[C@@H]1CNCC(=O)N1 SY259669 [0,1,0,0,0,1|1,0,0]=3 511 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [0,1,0,0,0,1|1,0,0]=3 512 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [0,1,0,0,0,1|1,0,0]=3 513 B8R1.4 NC1=CC(=O)CCC1 SY019251 [0,1,0,0,0,1|1,0,1]=4 514 B8R1.4 NC1CCNC(=O)C1 SY098707 [0,1,0,0,0,1|1,0,0]=3 515 B8R1.4 O=C1CC(O)CCN1 SY029027 [0,1,0,0,0,1|1,0,0]=3 516 B8R1.4 O=C1CCCC(=O)C1 SY004453 [0,1,0,0,0,1|1,0,0]=3 517 B8R1.4 O=C1CCCC(=O)N1 SY049583 [0,1,0,0,0,1|1,0,1]=4 518 B8R1.4 O=C1CCNC(=O)C1 SY004226 [0,1,0,0,0,1|1,0,0]=3 519 B8R1.4 O=C1CCNC(=O)N1 SY027535 [0,1,0,0,0,1|1,0,1]=4 520 B8R1.4 O=C1CNCC(=O)C1 SY263702 [0,1,0,0,0,1|1,0,0]=3 521 B8R1.4 O=C1CNCC(=O)N1 SY019427 [0,1,0,0,0,1|1,0,1]=4 522 B8R1.4 O=C1COCC(=O)C1 SY042206 [0,1,0,0,0,1|0,1,0]=3 523 B8R1.4 O=C1COCC(=O)O1 SY005494 [0,1,0,0,0,1|0,1,1]=4 524 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [0,1,0,0,0,1|1,0,0]=3 525 B8R1.5 BrC1=C(Br)CCCC1 SY272424 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.5 CC1COCCC1=O SY023092 [0,1,0,0,0,1|0,1,0]=3 527 B8R1.5 CC1NCCNC1=O SY042487 [0,1,0,0,0,1|1,0,0]=3 528 B8R1.5 CC1OCCNC1=O SY032980 [0,1,0,0,0,1|0,1,0]=3 529 B8R1.5 CN1CCNCC1=O SY025326 [0,1,0,0,0,1|1,0,0]=3 530 B8R1.5 CN1CCNCC1=O SY025555 [0,1,0,0,0,1|1,0,0]=3 531 B8R1.5 C[C@@H]1NCCNC1=O SY020656 [0,1,0,0,0,1|1,0,0]=3 532 B8R1.5 C[C@H]1NCCNC1=O SY020655 [0,1,0,0,0,1|1,0,0]=3 533 B8R1.5 NC1CCCNC1=O SY005645 [0,1,0,0,0,1|1,0,0]=3 534 B8R1.5 NC1CCCNC1=O SY011636 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.5 N[C@@H]1CCCNC1=O SY029118 [0,1,0,0,0,1|1,0,0]=3 536 B8R1.5 N[C@H]1CCCNC1=O SY005643 [0,1,0,0,0,1|1,0,0]=3 537 B8R1.5 N[C@H]1CCCNC1=O SY027641 [0,1,0,0,0,1|1,0,0]=3 538 B8R1.5 O=C1CCCCC1=O SY018311 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.5 O=C1CCCCC1Cl SY038921 [0,1,0,0,0,1|1,0,0]=3 540 B8R1.5 O=C1CCNCC1F SY015074 [0,1,0,0,0,1|1,0,0]=3 541 B8R1.5 O=C1CCOCC1Br SY030109 [0,1,0,0,0,1|0,1,0]=3 542 B8R1.5 O=C1CCOCC1Cl SY030110 [0,1,0,0,0,1|0,1,0]=3 543 B8R1.5 O=C1NCCC=C1Br SY263614 [0,1,0,0,0,1|1,0,1]=4 544 B8R1.5 O=C1NCCCC1Br SY105168 [0,1,0,0,0,1|1,0,0]=3 545 B8R1.5 O=C1NCCCC1O SY110845 [0,1,0,0,0,1|1,0,0]=3 546 B8R1.5 O=C1OCCC=C1Br SY058540 [0,1,0,0,0,1|1,0,1]=4 547 B8R1.5 O[C@@H]1CSSC[C@H]1O SY274619 [0,1,0,0,0,1|0,0,2]=4 548 B8R1.72 N=S1(=O)CCNCC1 SY199118 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.72 N=S1(=O)CCNCC1 SY265625 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.72 O=S1(=O)CCCCN1 SY025101 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.72 O=S1(=O)CCCCO1 SY006382 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.72 O=S1(=O)CCNCC1 SY002390 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.72 O=S1(=O)CCNCC1 SY025546 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.72 O=S1(=O)CCOCC1 SY048211 [0,1,0,0,0,1|1,1,0]=4 555 B8R1.1 CCC1CCC(=O)O1 SY015382 [0,2,0,0,0,0|2,0,0]=4 556 B8R1.1 N#CC1CCC(=O)C1 SY038122 [0,2,0,0,0,0|1,0,0]=3 557 B8R1.1 NCC1CCC(=O)N1 SY006694 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.1 NC[C@@H]1CCC(=O)N1 SY045358 [0,2,0,0,0,0|2,0,0]=4 559 B8R1.1 NC[C@@H]1CCC(=O)N1 SY215400 [0,2,0,0,0,0|2,0,0]=4 560 B8R1.1 NC[C@H]1CCC(=O)N1 SY024297 [0,2,0,0,0,0|2,0,0]=4 561 B8R1.1 O=C1CC(CBr)CN1 SY205276 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.1 O=C1CC(CO)CN1 SY008749 [0,2,0,0,0,0|2,0,0]=4 563 B8R1.1 O=C1CCC(CBr)O1 SY250804 [0,2,0,0,0,0|2,0,0]=4 564 B8R1.1 O=C1CCC(CO)N1 SY059670 [0,2,0,0,0,0|2,0,0]=4 565 B8R1.1 O=C1CC[C@@H](CBr)N1 SY033743 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [0,2,0,0,0,0|2,0,0]=4 567 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [0,2,0,0,0,0|2,0,0]=4 568 B8R1.1 O=C1CC[C@H](CBr)N1 SY066920 [0,2,0,0,0,0|2,0,0]=4 569 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.7 CC(=O)C1CCCC1 SY035519 [0,2,0,0,0,0|1,0,1]=4 571 B8R1.7 NC(=O)[C@@H]1CCNC1 SY010578 [0,2,0,0,0,0|1,0,1]=4 572 B8R1.7 NC(=O)[C@H]1CCNC1 SY008249 [0,2,0,0,0,0|1,0,1]=4 573 B8R1.7 NC(=O)[C@H]1CCNC1 SY024593 [0,2,0,0,0,0|1,0,1]=4 574 B8R1.7 O=C(Cl)C1CCOC1 SY211383 [0,2,0,0,0,0|0,1,1]=4 575 B8R1.7 O=C(O)C1=CCCC1 SY027520 [0,2,0,0,0,0|1,0,1]=4 576 B8R1.7 O=C(O)C1=COCC1 SY027844 [0,2,0,0,0,0|0,1,1]=4 577 B8R1.7 O=C(O)C1CCNC1 SY008997 [0,2,0,0,0,0|1,0,1]=4 578 B8R1.7 O=C(O)C1CCOC1 SY031543 [0,2,0,0,0,0|0,1,1]=4 579 B8R1.7 O=C(O)[C@@H]1CCNC1 SY010178 [0,2,0,0,0,0|1,0,1]=4 580 B8R1.7 O=C(O)[C@@H]1CCOC1 SY016391 [0,2,0,0,0,0|0,1,1]=4 581 B8R1.7 O=C(O)[C@H]1CCNC1 SY010177 [0,2,0,0,0,0|1,0,1]=4 582 B8R1.7 O=C(O)[C@H]1CCOC1 SY016390 [0,2,0,0,0,0|0,1,1]=4 583 B8R1.8 O=CCN1CCCC1 SY263315 [0,2,0,0,0,0|2,0,0]=4 584 B8R1.11 N#CC1CCCC1=O SY064897 [0,2,0,0,0,0|1,0,0]=3 585 B8R1.11 N#CC1COCC1=O SY099400 [0,2,0,0,0,0|0,1,0]=3 586 B8R1.11 NCC1CCCC1=O SY158694 [0,2,0,0,0,0|1,0,0]=3 587 B8R1.11 O=CC1=C(Cl)CCC1 SY264303 [0,2,0,0,0,0|1,0,1]=4 588 B8R1.11 O=CN1CCCC1=O SY270795 [0,2,0,0,0,0|2,0,0]=4 589 B8R1.18 CC1CC(=O)OC1=O SY113513 [0,2,0,0,0,0|2,0,0]=4 590 B8R1.18 CC1CC(=O)OC1C SY262129 [0,2,0,0,0,0|2,0,0]=4 591 B8R1.50 CC1C(=O)CCC1=O SY015623 [0,2,0,0,0,0|1,0,0]=3 592 B8R1.50 CN1C(=O)CCC1O SY040014 [0,2,0,0,0,0|2,0,0]=4 593 B8R1.50 CN1C(=O)CSC1=O SY023727 [0,2,0,0,0,0|1,0,1]=4 594 B8R1.50 CN1CC[C@@H](N)C1=O SY278464 [0,2,0,0,0,0|2,0,0]=4 595 B8R1.50 O=C1CCC(=O)N1I SY001605 [0,2,0,0,0,0|2,0,0]=4 596 B8R1.50 O=C1CCC(=O)N1O SY001334 [0,2,0,0,0,0|2,0,0]=4 597 B8R1.50 O=C1OC[C@@H](O)[C@H]1O SY027383 [0,2,0,0,0,0|2,0,0]=4 598 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br SY257674 [0,2,0,0,0,0|2,0,0]=4 599 B8R1.50 O=C1OC[C@H](O)[C@H]1O SY264849 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,2,0,0,0,0|1,0,0]=3 601 B8R1.51 CC1(C)CCC(=O)N1 SY023743 [0,2,0,0,0,0|2,0,0]=4 602 B8R1.51 CC1(C)CNC(=O)C1 SY015235 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.51 NC1CCS(=O)(=O)C1 SY031825 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.51 N[C@H]1CCS(=O)(=O)C1 SY278585 [0,2,0,0,0,0|2,0,0]=4 605 B8R1.51 O=C1CCS(=O)(=O)C1 SY030209 [0,2,0,0,0,0|0,0,1]=3 606 B8R1.51 O=S1(=O)CCC(O)C1 SY122163 [0,2,0,0,0,0|2,0,0]=4 607 B8R1.19 CC1(C)CC=CC1=O SY262050 [0,2,0,0,0,0|1,0,1]=4 608 B8R1.19 CC1(C)CCNC1=O SY067839 [0,2,0,0,0,0|2,0,0]=4 609 B8R1.19 CC1(C)CCOC1=O SY029932 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.19 CC1(C)CONC1=O SY267935 [0,2,0,0,0,0|1,1,0]=4 611 B6R1.11 NC(=O)C1CC1 SY018785 [0,0,1,1,0,0|2,0,0]=4 612 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [0,0,1,1,0,0|1,1,0]=4 613 B6R1.1 C1=CCNCC1 SY020557 [0,0,1,1,0,0|2,0,0]=4 614 B6R1.1 C1CSCCN1 SY033134 [0,0,1,1,0,0|1,0,1]=4 615 B6R1.1 C1CSCSC1 SY014110 [0,0,1,1,0,0|0,1,1]=4 616 B8R2.38 [C@@H]12CC1CNC2=O SY266158 [0,0,0,1,0,1|1,0,0]=3 617 B4R1.2 IC1CC1 SY046875 [0,0,0,0,2,0|1,0,1]=4 618 B4R1.2 O=C1CC1 SY037762 [0,0,0,0,2,0|0,0,0]=2 619 B4R1.2 OC1CC1 SY028267 [0,0,0,0,2,0|0,0,2]=4 620 B8R1.22 O=C1C=CCCCC1 SY041083 [0,0,0,0,0,2|1,0,0]=3 621 B8R1.22 O=C1CCCCNC1 SY040205 [0,0,0,0,0,2|1,0,0]=3 622 B8R1.22 O=C1CCCNCC1 SY017922 [0,0,0,0,0,2|1,0,0]=3 623 B8R1.22 O=C1CCCOCC1 SY036485 [0,0,0,0,0,2|0,1,0]=3 624 B8R1.22 O=C1CCNCCN1 SY019808 [0,0,0,0,0,2|1,0,0]=3 625 B8R1.22 O=C1CCNCCN1 SY075066 [0,0,0,0,0,2|1,0,0]=3 626 B8R1.22 O=C1CCOCCN1 SY029460 [0,0,0,0,0,2|0,1,0]=3 627 B8R1.22 O=C1CNCCCN1 SY032801 [0,0,0,0,0,2|1,0,0]=3